Han

CONFLIST HAN       HANBK HAN0W HAN+W HAN0H HAN+H

NATOM   HANBK      0 NATOM   HAN0W      69 NATOM   HAN+W      69 NATOM   HAN0H      68 NATOM   HAN+H      68

IATOM   HAN0W FE   0 IATOM   HAN0W  CHA 1 IATOM   HAN0W  CHB 2 IATOM   HAN0W  CHC 3 IATOM   HAN0W  CHD 4 IATOM   HAN0W  N A 5 IATOM   HAN0W  C1A 6 IATOM   HAN0W  C2A 7 IATOM   HAN0W  C3A 8 IATOM   HAN0W  C4A 9 IATOM   HAN0W  CMA 10 IATOM   HAN0W  N B 11 IATOM   HAN0W  C1B 12 IATOM   HAN0W  C2B 13 IATOM   HAN0W  C3B 14 IATOM   HAN0W  C4B 15 IATOM   HAN0W  CMB 16 IATOM   HAN0W  CAB 17 IATOM   HAN0W  CBB 18 IATOM   HAN0W  N C 19 IATOM   HAN0W  C1C 20 IATOM   HAN0W  C2C 21 IATOM   HAN0W  C3C 22 IATOM   HAN0W  C4C 23 IATOM   HAN0W  CMC 24 IATOM   HAN0W  CAC 25 IATOM   HAN0W  CBC 26 IATOM   HAN0W  N D 27 IATOM   HAN0W  C1D 28 IATOM   HAN0W  C2D 29 IATOM   HAN0W  C3D 30 IATOM   HAN0W  C4D 31 IATOM   HAN0W  CMD 32 IATOM   HAN0W  HHA 33 IATOM   HAN0W  HHB 34 IATOM   HAN0W  HHC 35 IATOM   HAN0W  HHD 36 IATOM   HAN0W 1HMA 37 IATOM   HAN0W 2HMA 38 IATOM   HAN0W 3HMA 39 IATOM   HAN0W 1HMB 40 IATOM   HAN0W 2HMB 41 IATOM   HAN0W 3HMB 42 IATOM   HAN0W  HAB 43 IATOM   HAN0W 1HBB 44 IATOM   HAN0W 2HBB 45 IATOM   HAN0W 1HMC 46 IATOM   HAN0W 2HMC 47 IATOM   HAN0W 3HMC 48 IATOM   HAN0W  HAC 49 IATOM   HAN0W 1HBC 50 IATOM   HAN0W 2HBC 51 IATOM   HAN0W 1HMD 52 IATOM   HAN0W 2HMD 53 IATOM   HAN0W 3HMD 54 IATOM   HAN0W  CB  55 IATOM   HAN0W 1HB  56 IATOM   HAN0W 2HB  57 IATOM   HAN0W  CG  58 IATOM   HAN0W  ND1 59 IATOM   HAN0W  HD1 60 IATOM   HAN0W  CE1 61 IATOM   HAN0W  HE1 62 IATOM   HAN0W  NE2 63 IATOM   HAN0W  CD2 64 IATOM   HAN0W  HD2 65 IATOM   HAN0W  O   66 IATOM   HAN0W 1H   67 IATOM   HAN0W 2H   68 IATOM   HAN+W FE   0 IATOM   HAN+W  CHA 1 IATOM   HAN+W  CHB 2 IATOM   HAN+W  CHC 3 IATOM   HAN+W  CHD 4 IATOM   HAN+W  N A 5 IATOM   HAN+W  C1A 6 IATOM   HAN+W  C2A 7 IATOM   HAN+W  C3A 8 IATOM   HAN+W  C4A 9 IATOM   HAN+W  CMA 10 IATOM   HAN+W  N B 11 IATOM   HAN+W  C1B 12 IATOM   HAN+W  C2B 13 IATOM   HAN+W  C3B 14 IATOM   HAN+W  C4B 15 IATOM   HAN+W  CMB 16 IATOM   HAN+W  CAB 17 IATOM   HAN+W  CBB 18 IATOM   HAN+W  N C 19 IATOM   HAN+W  C1C 20 IATOM   HAN+W  C2C 21 IATOM   HAN+W  C3C 22 IATOM   HAN+W  C4C 23 IATOM   HAN+W  CMC 24 IATOM   HAN+W  CAC 25 IATOM   HAN+W  CBC 26 IATOM   HAN+W  N D 27 IATOM   HAN+W  C1D 28 IATOM   HAN+W  C2D 29 IATOM   HAN+W  C3D 30 IATOM   HAN+W  C4D 31 IATOM   HAN+W  CMD 32 IATOM   HAN+W  HHA 33 IATOM   HAN+W  HHB 34 IATOM   HAN+W  HHC 35 IATOM   HAN+W  HHD 36 IATOM   HAN+W 1HMA 37 IATOM   HAN+W 2HMA 38 IATOM   HAN+W 3HMA 39 IATOM   HAN+W 1HMB 40 IATOM   HAN+W 2HMB 41 IATOM   HAN+W 3HMB 42 IATOM   HAN+W  HAB 43 IATOM   HAN+W 1HBB 44 IATOM   HAN+W 2HBB 45 IATOM   HAN+W 1HMC 46 IATOM   HAN+W 2HMC 47 IATOM   HAN+W 3HMC 48 IATOM   HAN+W  HAC 49 IATOM   HAN+W 1HBC 50 IATOM   HAN+W 2HBC 51 IATOM   HAN+W 1HMD 52 IATOM   HAN+W 2HMD 53 IATOM   HAN+W 3HMD 54 IATOM   HAN+W  CB  55 IATOM   HAN+W 1HB  56 IATOM   HAN+W 2HB  57 IATOM   HAN+W  CG  58 IATOM   HAN+W  ND1 59 IATOM   HAN+W  HD1 60 IATOM   HAN+W  CE1 61 IATOM   HAN+W  HE1 62 IATOM   HAN+W  NE2 63 IATOM   HAN+W  CD2 64 IATOM   HAN+W  HD2 65 IATOM   HAN+W  O   66 IATOM   HAN+W 1H   67 IATOM   HAN+W 2H   68 IATOM   HAN0H FE   0 IATOM   HAN0H  CHA 1 IATOM   HAN0H  CHB 2 IATOM   HAN0H  CHC 3 IATOM   HAN0H  CHD 4 IATOM   HAN0H  N A 5 IATOM   HAN0H  C1A 6 IATOM   HAN0H  C2A 7 IATOM   HAN0H  C3A 8 IATOM   HAN0H  C4A 9 IATOM   HAN0H  CMA 10 IATOM   HAN0H  N B 11 IATOM   HAN0H  C1B 12 IATOM   HAN0H  C2B 13 IATOM   HAN0H  C3B 14 IATOM   HAN0H  C4B 15 IATOM   HAN0H  CMB 16 IATOM   HAN0H  CAB 17 IATOM   HAN0H  CBB 18 IATOM   HAN0H  N C 19 IATOM   HAN0H  C1C 20 IATOM   HAN0H  C2C 21 IATOM   HAN0H  C3C 22 IATOM   HAN0H  C4C 23 IATOM   HAN0H  CMC 24 IATOM   HAN0H  CAC 25 IATOM   HAN0H  CBC 26 IATOM   HAN0H  N D 27 IATOM   HAN0H  C1D 28 IATOM   HAN0H  C2D 29 IATOM   HAN0H  C3D 30 IATOM   HAN0H  C4D 31 IATOM   HAN0H  CMD 32 IATOM   HAN0H  HHA 33 IATOM   HAN0H  HHB 34 IATOM   HAN0H  HHC 35 IATOM   HAN0H  HHD 36 IATOM   HAN0H 1HMA 37 IATOM   HAN0H 2HMA 38 IATOM   HAN0H 3HMA 39 IATOM   HAN0H 1HMB 40 IATOM   HAN0H 2HMB 41 IATOM   HAN0H 3HMB 42 IATOM   HAN0H  HAB 43 IATOM   HAN0H 1HBB 44 IATOM   HAN0H 2HBB 45 IATOM   HAN0H 1HMC 46 IATOM   HAN0H 2HMC 47 IATOM   HAN0H 3HMC 48 IATOM   HAN0H  HAC 49 IATOM   HAN0H 1HBC 50 IATOM   HAN0H 2HBC 51 IATOM   HAN0H 1HMD 52 IATOM   HAN0H 2HMD 53 IATOM   HAN0H 3HMD 54 IATOM   HAN0H  CB  55 IATOM   HAN0H 1HB  56 IATOM   HAN0H 2HB  57 IATOM   HAN0H  CG  58 IATOM   HAN0H  ND1 59 IATOM   HAN0H  HD1 60 IATOM   HAN0H  CE1 61 IATOM   HAN0H  HE1 62 IATOM   HAN0H  NE2 63 IATOM   HAN0H  CD2 64 IATOM   HAN0H  HD2 65 IATOM   HAN0H  O   66 IATOM   HAN0H  H   67 IATOM   HAN+H FE   0 IATOM   HAN+H  CHA 1 IATOM   HAN+H  CHB 2 IATOM   HAN+H  CHC 3 IATOM   HAN+H  CHD 4 IATOM   HAN+H  N A 5 IATOM   HAN+H  C1A 6 IATOM   HAN+H  C2A 7 IATOM   HAN+H  C3A 8 IATOM   HAN+H  C4A 9 IATOM   HAN+H  CMA 10 IATOM   HAN+H  N B 11 IATOM   HAN+H  C1B 12 IATOM   HAN+H  C2B 13 IATOM   HAN+H  C3B 14 IATOM   HAN+H  C4B 15 IATOM   HAN+H  CMB 16 IATOM   HAN+H  CAB 17 IATOM   HAN+H  CBB 18 IATOM   HAN+H  N C 19 IATOM   HAN+H  C1C 20 IATOM   HAN+H  C2C 21 IATOM   HAN+H  C3C 22 IATOM   HAN+H  C4C 23 IATOM   HAN+H  CMC 24 IATOM   HAN+H  CAC 25 IATOM   HAN+H  CBC 26 IATOM   HAN+H  N D 27 IATOM   HAN+H  C1D 28 IATOM   HAN+H  C2D 29 IATOM   HAN+H  C3D 30 IATOM   HAN+H  C4D 31 IATOM   HAN+H  CMD 32 IATOM   HAN+H  HHA 33 IATOM   HAN+H  HHB 34 IATOM   HAN+H  HHC 35 IATOM   HAN+H  HHD 36 IATOM   HAN+H 1HMA 37 IATOM   HAN+H 2HMA 38 IATOM   HAN+H 3HMA 39 IATOM   HAN+H 1HMB 40 IATOM   HAN+H 2HMB 41 IATOM   HAN+H 3HMB 42 IATOM   HAN+H  HAB 43 IATOM   HAN+H 1HBB 44 IATOM   HAN+H 2HBB 45 IATOM   HAN+H 1HMC 46 IATOM   HAN+H 2HMC 47 IATOM   HAN+H 3HMC 48 IATOM   HAN+H  HAC 49 IATOM   HAN+H 1HBC 50 IATOM   HAN+H 2HBC 51 IATOM   HAN+H 1HMD 52 IATOM   HAN+H 2HMD 53 IATOM   HAN+H 3HMD 54 IATOM   HAN+H  CB  55 IATOM   HAN+H 1HB  56 IATOM   HAN+H 2HB  57 IATOM   HAN+H  CG  58 IATOM   HAN+H  ND1 59 IATOM   HAN+H  HD1 60 IATOM   HAN+H  CE1 61 IATOM   HAN+H  HE1 62 IATOM   HAN+H  NE2 63 IATOM   HAN+H  CD2 64 IATOM   HAN+H  HD2 65 IATOM   HAN+H  O   66 IATOM   HAN+H  H   67

ATOMNAME HAN0W   0 FE  ATOMNAME HAN0W    1  CHA ATOMNAME HAN0W   2  CHB ATOMNAME HAN0W   3  CHC ATOMNAME HAN0W   4  CHD ATOMNAME HAN0W   5  N A ATOMNAME HAN0W    6  C1A ATOMNAME HAN0W   7  C2A ATOMNAME HAN0W   8  C3A ATOMNAME HAN0W   9  C4A ATOMNAME HAN0W  10  CMA ATOMNAME HAN0W  11  N B ATOMNAME HAN0W   12  C1B ATOMNAME HAN0W  13  C2B ATOMNAME HAN0W  14  C3B ATOMNAME HAN0W  15  C4B ATOMNAME HAN0W  16  CMB ATOMNAME HAN0W  17  CAB ATOMNAME HAN0W  18  CBB ATOMNAME HAN0W  19  N C ATOMNAME HAN0W   20  C1C ATOMNAME HAN0W  21  C2C ATOMNAME HAN0W  22  C3C ATOMNAME HAN0W  23  C4C ATOMNAME HAN0W  24  CMC ATOMNAME HAN0W  25  CAC ATOMNAME HAN0W  26  CBC ATOMNAME HAN0W  27  N D ATOMNAME HAN0W   28  C1D ATOMNAME HAN0W  29  C2D ATOMNAME HAN0W  30  C3D ATOMNAME HAN0W  31  C4D ATOMNAME HAN0W  32  CMD ATOMNAME HAN0W  33  HHA ATOMNAME HAN0W  34  HHB ATOMNAME HAN0W  35  HHC ATOMNAME HAN0W  36  HHD ATOMNAME HAN0W  37 1HMA ATOMNAME HAN0W  38 2HMA ATOMNAME HAN0W  39 3HMA ATOMNAME HAN0W  40 1HMB ATOMNAME HAN0W  41 2HMB ATOMNAME HAN0W  42 3HMB ATOMNAME HAN0W  43  HAB ATOMNAME HAN0W  44 1HBB ATOMNAME HAN0W  45 2HBB ATOMNAME HAN0W  46 1HMC ATOMNAME HAN0W  47 2HMC ATOMNAME HAN0W  48 3HMC ATOMNAME HAN0W  49  HAC ATOMNAME HAN0W  50 1HBC ATOMNAME HAN0W  51 2HBC ATOMNAME HAN0W  52 1HMD ATOMNAME HAN0W  53 2HMD ATOMNAME HAN0W  54 3HMD ATOMNAME HAN0W  55  CB ATOMNAME HAN0W   56 1HB ATOMNAME HAN0W  57 2HB ATOMNAME HAN0W  58  CG ATOMNAME HAN0W   59  ND1 ATOMNAME HAN0W  60  HD1 ATOMNAME HAN0W  61  CE1 ATOMNAME HAN0W  62  HE1 ATOMNAME HAN0W  63  NE2 ATOMNAME HAN0W  64  CD2 ATOMNAME HAN0W  65  HD2 ATOMNAME HAN0W  66  O  ATOMNAME HAN0W   67 1H ATOMNAME HAN0W  68 2H ATOMNAME HAN+W   0 FE  ATOMNAME HAN+W    1  CHA ATOMNAME HAN+W   2  CHB ATOMNAME HAN+W   3  CHC ATOMNAME HAN+W   4  CHD ATOMNAME HAN+W   5  N A ATOMNAME HAN+W    6  C1A ATOMNAME HAN+W   7  C2A ATOMNAME HAN+W   8  C3A ATOMNAME HAN+W   9  C4A ATOMNAME HAN+W  10  CMA ATOMNAME HAN+W  11  N B ATOMNAME HAN+W   12  C1B ATOMNAME HAN+W  13  C2B ATOMNAME HAN+W  14  C3B ATOMNAME HAN+W  15  C4B ATOMNAME HAN+W  16  CMB ATOMNAME HAN+W  17  CAB ATOMNAME HAN+W  18  CBB ATOMNAME HAN+W  19  N C ATOMNAME HAN+W   20  C1C ATOMNAME HAN+W  21  C2C ATOMNAME HAN+W  22  C3C ATOMNAME HAN+W  23  C4C ATOMNAME HAN+W  24  CMC ATOMNAME HAN+W  25  CAC ATOMNAME HAN+W  26  CBC ATOMNAME HAN+W  27  N D ATOMNAME HAN+W   28  C1D ATOMNAME HAN+W  29  C2D ATOMNAME HAN+W  30  C3D ATOMNAME HAN+W  31  C4D ATOMNAME HAN+W  32  CMD ATOMNAME HAN+W  33  HHA ATOMNAME HAN+W  34  HHB ATOMNAME HAN+W  35  HHC ATOMNAME HAN+W  36  HHD ATOMNAME HAN+W  37 1HMA ATOMNAME HAN+W  38 2HMA ATOMNAME HAN+W  39 3HMA ATOMNAME HAN+W  40 1HMB ATOMNAME HAN+W  41 2HMB ATOMNAME HAN+W  42 3HMB ATOMNAME HAN+W  43  HAB ATOMNAME HAN+W  44 1HBB ATOMNAME HAN+W  45 2HBB ATOMNAME HAN+W  46 1HMC ATOMNAME HAN+W  47 2HMC ATOMNAME HAN+W  48 3HMC ATOMNAME HAN+W  49  HAC ATOMNAME HAN+W  50 1HBC ATOMNAME HAN+W  51 2HBC ATOMNAME HAN+W  52 1HMD ATOMNAME HAN+W  53 2HMD ATOMNAME HAN+W  54 3HMD ATOMNAME HAN+W  55  CB ATOMNAME HAN+W   56 1HB ATOMNAME HAN+W  57 2HB ATOMNAME HAN+W  58  CG ATOMNAME HAN+W   59  ND1 ATOMNAME HAN+W  60  HD1 ATOMNAME HAN+W  61  CE1 ATOMNAME HAN+W  62  HE1 ATOMNAME HAN+W  63  NE2 ATOMNAME HAN+W  64  CD2 ATOMNAME HAN+W  65  HD2 ATOMNAME HAN+W  66  O  ATOMNAME HAN+W   67 1H ATOMNAME HAN+W  68 2H ATOMNAME HAN0H   0 FE  ATOMNAME HAN0H    1  CHA ATOMNAME HAN0H   2  CHB ATOMNAME HAN0H   3  CHC ATOMNAME HAN0H   4  CHD ATOMNAME HAN0H   5  N A ATOMNAME HAN0H    6  C1A ATOMNAME HAN0H   7  C2A ATOMNAME HAN0H   8  C3A ATOMNAME HAN0H   9  C4A ATOMNAME HAN0H  10  CMA ATOMNAME HAN0H  11  N B ATOMNAME HAN0H   12  C1B ATOMNAME HAN0H  13  C2B ATOMNAME HAN0H  14  C3B ATOMNAME HAN0H  15  C4B ATOMNAME HAN0H  16  CMB ATOMNAME HAN0H  17  CAB ATOMNAME HAN0H  18  CBB ATOMNAME HAN0H  19  N C ATOMNAME HAN0H   20  C1C ATOMNAME HAN0H  21  C2C ATOMNAME HAN0H  22  C3C ATOMNAME HAN0H  23  C4C ATOMNAME HAN0H  24  CMC ATOMNAME HAN0H  25  CAC ATOMNAME HAN0H  26  CBC ATOMNAME HAN0H  27  N D ATOMNAME HAN0H   28  C1D ATOMNAME HAN0H  29  C2D ATOMNAME HAN0H  30  C3D ATOMNAME HAN0H  31  C4D ATOMNAME HAN0H  32  CMD ATOMNAME HAN0H  33  HHA ATOMNAME HAN0H  34  HHB ATOMNAME HAN0H  35  HHC ATOMNAME HAN0H  36  HHD ATOMNAME HAN0H  37 1HMA ATOMNAME HAN0H  38 2HMA ATOMNAME HAN0H  39 3HMA ATOMNAME HAN0H  40 1HMB ATOMNAME HAN0H  41 2HMB ATOMNAME HAN0H  42 3HMB ATOMNAME HAN0H  43  HAB ATOMNAME HAN0H  44 1HBB ATOMNAME HAN0H  45 2HBB ATOMNAME HAN0H  46 1HMC ATOMNAME HAN0H  47 2HMC ATOMNAME HAN0H  48 3HMC ATOMNAME HAN0H  49  HAC ATOMNAME HAN0H  50 1HBC ATOMNAME HAN0H  51 2HBC ATOMNAME HAN0H  52 1HMD ATOMNAME HAN0H  53 2HMD ATOMNAME HAN0H  54 3HMD ATOMNAME HAN0H  55  CB ATOMNAME HAN0H   56 1HB ATOMNAME HAN0H  57 2HB ATOMNAME HAN0H  58  CG ATOMNAME HAN0H   59  ND1 ATOMNAME HAN0H  60  HD1 ATOMNAME HAN0H  61  CE1 ATOMNAME HAN0H  62  HE1 ATOMNAME HAN0H  63  NE2 ATOMNAME HAN0H  64  CD2 ATOMNAME HAN0H  65  HD2 ATOMNAME HAN0H  66  O  ATOMNAME HAN0H   67  H  ATOMNAME HAN+H    0 FE  ATOMNAME HAN+H    1  CHA ATOMNAME HAN+H   2  CHB ATOMNAME HAN+H   3  CHC ATOMNAME HAN+H   4  CHD ATOMNAME HAN+H   5  N A ATOMNAME HAN+H    6  C1A ATOMNAME HAN+H   7  C2A ATOMNAME HAN+H   8  C3A ATOMNAME HAN+H   9  C4A ATOMNAME HAN+H  10  CMA ATOMNAME HAN+H  11  N B ATOMNAME HAN+H   12  C1B ATOMNAME HAN+H  13  C2B ATOMNAME HAN+H  14  C3B ATOMNAME HAN+H  15  C4B ATOMNAME HAN+H  16  CMB ATOMNAME HAN+H  17  CAB ATOMNAME HAN+H  18  CBB ATOMNAME HAN+H  19  N C ATOMNAME HAN+H   20  C1C ATOMNAME HAN+H  21  C2C ATOMNAME HAN+H  22  C3C ATOMNAME HAN+H  23  C4C ATOMNAME HAN+H  24  CMC ATOMNAME HAN+H  25  CAC ATOMNAME HAN+H  26  CBC ATOMNAME HAN+H  27  N D ATOMNAME HAN+H   28  C1D ATOMNAME HAN+H  29  C2D ATOMNAME HAN+H  30  C3D ATOMNAME HAN+H  31  C4D ATOMNAME HAN+H  32  CMD ATOMNAME HAN+H  33  HHA ATOMNAME HAN+H  34  HHB ATOMNAME HAN+H  35  HHC ATOMNAME HAN+H  36  HHD ATOMNAME HAN+H  37 1HMA ATOMNAME HAN+H  38 2HMA ATOMNAME HAN+H  39 3HMA ATOMNAME HAN+H  40 1HMB ATOMNAME HAN+H  41 2HMB ATOMNAME HAN+H  42 3HMB ATOMNAME HAN+H  43  HAB ATOMNAME HAN+H  44 1HBB ATOMNAME HAN+H  45 2HBB ATOMNAME HAN+H  46 1HMC ATOMNAME HAN+H  47 2HMC ATOMNAME HAN+H  48 3HMC ATOMNAME HAN+H  49  HAC ATOMNAME HAN+H  50 1HBC ATOMNAME HAN+H  51 2HBC ATOMNAME HAN+H  52 1HMD ATOMNAME HAN+H  53 2HMD ATOMNAME HAN+H  54 3HMD ATOMNAME HAN+H  55  CB ATOMNAME HAN+H   56 1HB ATOMNAME HAN+H  57 2HB ATOMNAME HAN+H  58  CG ATOMNAME HAN+H   59  ND1 ATOMNAME HAN+H  60  HD1 ATOMNAME HAN+H  61  CE1 ATOMNAME HAN+H  62  HE1 ATOMNAME HAN+H  63  NE2 ATOMNAME HAN+H  64  CD2 ATOMNAME HAN+H  65  HD2 ATOMNAME HAN+H  66  O  ATOMNAME HAN+H   67  H


 * 1) This is and old heme a parameter with no ligand
 * 2) 1.Basic Conformer Information: name, pka, em, rxn.

PROTON  HAN0W      0 PKA     HAN0W      0.0 ELECTRON HAN0W     0 EM      HAN0W      0.0 RXN     HAN0W      -5.014
 * 1) 23456789A123456789B123456789C
 * 1) RXN     HAN0W      -2.243

PROTON  HAN+W      0 PKA     HAN+W      0.0 ELECTRON HAN+W     -1 EM      HAN+W      -120. RXN     HAN+W      -15.318
 * 1) RXN     HAN+W      -15.243
 * 2) RXN     HAN+W      -9.953

PROTON  HAN0H      -1 PKA     HAN0H      10.9 ELECTRON HAN0H     0 EM      HAN0H      0.0 RXN     HAN0H      -21.118
 * 1) RXN     HAN0H      -13.025

PROTON  HAN+H      -1 PKA     HAN+H      10.9 ELECTRON HAN+H     -1 EM      HAN+H      -200. RXN     HAN+H      -6.690
 * 1) RXN     HAN+H      -3.850


 * 1) 2.Structure Connectivity
 * 2) 23456789A123456789B123456789C123456789D123456789E123456789F123456789G

RADIUS  HAN   FE   1.60 RADIUS  HAN    CHA 1.70 RADIUS  HAN    CHB 1.70 RADIUS  HAN    CHC 1.70 RADIUS  HAN    CHD 1.70 RADIUS  HAN    N A 1.55 RADIUS  HAN    C1A 1.70 RADIUS  HAN    C2A 1.70 RADIUS  HAN    C3A 1.70 RADIUS  HAN    C4A 1.70 RADIUS  HAN    CMA 1.70 RADIUS  HAN    N B 1.55 RADIUS  HAN    C1B 1.70 RADIUS  HAN    C2B 1.70 RADIUS  HAN    C3B 1.70 RADIUS  HAN    C4B 1.70 RADIUS  HAN    CMB 1.70 RADIUS  HAN    N C 1.55 RADIUS  HAN    C1C 1.70 RADIUS  HAN    C2C 1.70 RADIUS  HAN    C3C 1.70 RADIUS  HAN    C4C 1.70 RADIUS  HAN    CMC 1.70 RADIUS  HAN    CAC 1.70 RADIUS  HAN    CBC 1.70 RADIUS  HAN    N D 1.55 RADIUS  HAN    C1D 1.70 RADIUS  HAN    C2D 1.70 RADIUS  HAN    C3D 1.70 RADIUS  HAN    C4D 1.70 RADIUS  HAN    CMD 1.70 RADIUS  HAN    HHA 1.20 RADIUS  HAN    HHB 1.20 RADIUS  HAN    HHC 1.20 RADIUS  HAN    HHD 1.20 RADIUS  HAN   1HMA 1.20 RADIUS  HAN   2HMA 1.20 RADIUS  HAN   3HMA 1.20 RADIUS  HAN   1HMB 1.20 RADIUS  HAN   2HMB 1.20 RADIUS  HAN   3HMB 1.20 RADIUS  HAN   1HMC 1.20 RADIUS  HAN   2HMC 1.20 RADIUS  HAN   3HMC 1.20 RADIUS  HAN    HAC 1.20 RADIUS  HAN   1HBC 1.20 RADIUS  HAN   2HBC 1.20 RADIUS  HAN   1HMD 1.20 RADIUS  HAN   2HMD 1.20 RADIUS  HAN   3HMD 1.20 RADIUS  HAN    CB  2.00 RADIUS  HAN   1HB  0.00 RADIUS  HAN   2HB  0.00 RADIUS  HAN    CG  1.70 RADIUS  HAN    ND1 1.50 RADIUS  HAN    HD1 1.00 RADIUS  HAN    CE1 1.70 RADIUS  HAN    HE1 1.00 RADIUS  HAN    NE2 1.50 RADIUS  HAN    HE2 1.00 RADIUS  HAN    CD2 1.70 RADIUS  HAN    HD2 1.00 RADIUS  HAN    O   1.60 RADIUS  HAN    H   1.00 RADIUS  HAN   1H   1.00 RADIUS  HAN   2H   1.00 RADIUS  HAN    HAB 1.00 RADIUS  HAN   1HBB 1.00 RADIUS  HAN   2HBB 1.00 RADIUS  HAN   3HBB 1.00
 * 1) 3.Atom Parameters: Partial Charges and Radii
 * 2) Radii(vdw) were collected from http://www.webelements.com/

CONNECT HAN0W FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O CONNECT  HAN0W  CHA sp2       0     C1A 0     C4D 0     HHA CONNECT HAN0W  CHB sp2       0     C4A 0     C1B 0     HHB CONNECT HAN0W  CHC sp2       0     C4B 0     C1C 0     HHC CONNECT HAN0W  CHD sp2       0     C4C 0     C1D 0     HHD CONNECT HAN0W  N A sp2       0    FE   0     C1A 0     C4A CONNECT HAN0W  C1A sp2       0     CHA 0     N A 0     C2A CONNECT HAN0W  C2A sp2       0     C1A 0     C3A +1    CAA CONNECT HAN0W  C3A sp2       0     C2A 0     C4A 0     CMA CONNECT HAN0W  C4A sp2       0     CHB 0     N A 0     C3A CONNECT HAN0W  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA CONNECT HAN0W  N B sp2       0    FE   0     C1B 0     C4B CONNECT HAN0W  C1B sp2       0     CHB 0     N B 0     C2B CONNECT HAN0W  C2B sp2       0     C1B 0     C3B 0     CMB CONNECT HAN0W  C3B sp2       0     C2B    0  C4B    0  CAB CONNECT HAN0W  C4B sp2       0     CHC 0     N B 0     C3B CONNECT HAN0W  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB CONNECT HAN0W  CAB sp2       0     C3B    0  CBB    0  HAB CONNECT HAN0W  CBB sp2       0     CAB    0 1HBB    0 2HBB CONNECT HAN0W  N C sp2       0    FE   0     C1C 0     C4C CONNECT HAN0W  C1C sp2       0     CHC 0     N C 0     C2C CONNECT HAN0W  C2C sp2       0     C1C 0     C3C 0     CMC CONNECT HAN0W  C3C sp2       0     C2C 0     C4C 0     CAC CONNECT HAN0W  C4C sp2       0     CHD 0     N C 0     C3C CONNECT HAN0W  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC CONNECT HAN0W  CAC sp2       0     C3C 0     CBC 0     HAC CONNECT HAN0W  CBC sp2       0     CAC 0    1HBC 0    2HBC CONNECT HAN0W  N D sp2       0    FE   0     C1D 0     C4D CONNECT HAN0W  C1D sp2       0     CHD 0     N D 0     C2D CONNECT HAN0W  C2D sp2       0     C1D 0     C3D 0     CMD CONNECT HAN0W  C3D sp2       0     C2D 0     C4D +2    CAD CONNECT HAN0W  C4D sp2       0     CHA 0     N D 0     C3D CONNECT HAN0W  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD CONNECT HAN0W  HHA s         0     CHA CONNECT HAN0W  HHB s         0     CHB CONNECT HAN0W  HHC s         0     CHC CONNECT HAN0W  HHD s         0     CHD CONNECT HAN0W 1HMA s         0     CMA CONNECT HAN0W 2HMA s         0     CMA CONNECT HAN0W 3HMA s         0     CMA CONNECT HAN0W 1HMB s         0     CMB CONNECT HAN0W 2HMB s         0     CMB CONNECT HAN0W 3HMB s         0     CMB CONNECT HAN0W  HAB         s    0  CAB CONNECT HAN0W 1HBB         s    0  CBB CONNECT HAN0W 2HBB         s    0  CBB CONNECT HAN0W 1HMC s         0     CMC CONNECT HAN0W 2HMC s         0     CMC CONNECT HAN0W 3HMC s         0     CMC CONNECT HAN0W  HAC s         0     CAC CONNECT HAN0W 1HBC s         0     CBC CONNECT HAN0W 2HBC s         0     CBC CONNECT HAN0W 1HMD s         0     CMD CONNECT HAN0W 2HMD s         0     CMD CONNECT HAN0W 3HMD s         0     CMD CONNECT HAN0W  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB CONNECT HAN0W 1HB  s         0     CB CONNECT  HAN0W 2HB  s         0     CB CONNECT  HAN0W  CG  sp2       0     CB  0     ND1 0     CD2 CONNECT HAN0W  ND1 sp2       0     CG  0     CE1 0     HD1 CONNECT HAN0W  HD1 s         0     ND1 CONNECT HAN0W  CE1 sp2       0     ND1 0     NE2 0     HE1 CONNECT HAN0W  HE1 s         0     CE1 CONNECT HAN0W  NE2 sp2       0    FE   0     CE1 0     CD2 CONNECT HAN0W  CD2 sp2       0     NE2 0     CG  0     HD2 CONNECT HAN0W  HD2 s         0     CD2 CONNECT HAN0W  O   sp3       0    FE   0    1H   0    2H CONNECT HAN0W 1H   s         0     O CONNECT  HAN0W 2H   s         0     O
 * 1) ONNECT  conf atom  orbital  ires conn ires conn ires conn ires conn
 * 2) ONNECT |-||-|||||||||||||
 * 3) 23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
 * 4) ONNECT  conf atom  orbital  ires conn ires conn ires conn ires conn
 * 5) ONNECT |-||-|||||||||||||

CONNECT HAN+W FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O CONNECT  HAN+W  CHA sp2       0     C1A 0     C4D 0     HHA CONNECT HAN+W  CHB sp2       0     C4A 0     C1B 0     HHB CONNECT HAN+W  CHC sp2       0     C4B 0     C1C 0     HHC CONNECT HAN+W  CHD sp2       0     C4C 0     C1D 0     HHD CONNECT HAN+W  N A sp2       0    FE   0     C1A 0     C4A CONNECT HAN+W  C1A sp2       0     CHA 0     N A 0     C2A CONNECT HAN+W  C2A sp2       0     C1A 0     C3A +1    CAA CONNECT HAN+W  C3A sp2       0     C2A 0     C4A 0     CMA CONNECT HAN+W  C4A sp2       0     CHB 0     N A 0     C3A CONNECT HAN+W  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA CONNECT HAN+W  N B sp2       0    FE   0     C1B 0     C4B CONNECT HAN+W  C1B sp2       0     CHB 0     N B 0     C2B CONNECT HAN+W  C2B sp2       0     C1B 0     C3B 0     CMB CONNECT HAN+W  C3B sp2       0     C2B    0  C4B    0  CAB CONNECT HAN+W  C4B sp2       0     CHC 0     N B 0     C3B CONNECT HAN+W  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB CONNECT HAN+W  CAB sp2       0     C3B    0  CBB    0  HAB CONNECT HAN+W  CBB sp2       0     CAB    0 1HBB    0 2HBB CONNECT HAN+W  N C sp2       0    FE   0     C1C 0     C4C CONNECT HAN+W  C1C sp2       0     CHC 0     N C 0     C2C CONNECT HAN+W  C2C sp2       0     C1C 0     C3C 0     CMC CONNECT HAN+W  C3C sp2       0     C2C 0     C4C 0     CAC CONNECT HAN+W  C4C sp2       0     CHD 0     N C 0     C3C CONNECT HAN+W  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC CONNECT HAN+W  CAC sp2       0     C3C 0     CBC 0     HAC CONNECT HAN+W  CBC sp2       0     CAC 0    1HBC 0    2HBC CONNECT HAN+W  N D sp2       0    FE   0     C1D 0     C4D CONNECT HAN+W  C1D sp2       0     CHD 0     N D 0     C2D CONNECT HAN+W  C2D sp2       0     C1D 0     C3D 0     CMD CONNECT HAN+W  C3D sp2       0     C2D 0     C4D +2    CAD CONNECT HAN+W  C4D sp2       0     CHA 0     N D 0     C3D CONNECT HAN+W  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD CONNECT HAN+W  HHA s         0     CHA CONNECT HAN+W  HHB s         0     CHB CONNECT HAN+W  HHC s         0     CHC CONNECT HAN+W  HHD s         0     CHD CONNECT HAN+W 1HMA s         0     CMA CONNECT HAN+W 2HMA s         0     CMA CONNECT HAN+W 3HMA s         0     CMA CONNECT HAN+W 1HMB s         0     CMB CONNECT HAN+W 2HMB s         0     CMB CONNECT HAN+W 3HMB s         0     CMB CONNECT HAN+W  HAB         s    0  CAB CONNECT HAN+W 1HBB         s    0  CBB CONNECT HAN+W 2HBB         s    0  CBB CONNECT HAN+W 1HMC s         0     CMC CONNECT HAN+W 2HMC s         0     CMC CONNECT HAN+W 3HMC s         0     CMC CONNECT HAN+W  HAC s         0     CAC CONNECT HAN+W 1HBC s         0     CBC CONNECT HAN+W 2HBC s         0     CBC CONNECT HAN+W 1HMD s         0     CMD CONNECT HAN+W 2HMD s         0     CMD CONNECT HAN+W 3HMD s         0     CMD CONNECT HAN+W  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB CONNECT HAN+W 1HB  s         0     CB CONNECT  HAN+W 2HB  s         0     CB CONNECT  HAN+W  CG  sp2       0     CB  0     ND1 0     CD2 CONNECT HAN+W  ND1 sp2       0     CG  0     CE1 0     HD1 CONNECT HAN+W  HD1 s         0     ND1 CONNECT HAN+W  CE1 sp2       0     ND1 0     NE2 0     HE1 CONNECT HAN+W  HE1 s         0     CE1 CONNECT HAN+W  NE2 sp2       0    FE   0     CE1 0     CD2 CONNECT HAN+W  CD2 sp2       0     NE2 0     CG  0     HD2 CONNECT HAN+W  HD2 s         0     CD2 CONNECT HAN+W  O   sp3       0    FE   0    1H   0    2H CONNECT HAN+W 1H   s         0     O CONNECT  HAN+W 2H   s         0     O

CONNECT HAN0H FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O CONNECT  HAN0H  CHA sp2       0     C1A 0     C4D 0     HHA CONNECT HAN0H  CHB sp2       0     C4A 0     C1B 0     HHB CONNECT HAN0H  CHC sp2       0     C4B 0     C1C 0     HHC CONNECT HAN0H  CHD sp2       0     C4C 0     C1D 0     HHD CONNECT HAN0H  N A sp2       0    FE   0     C1A 0     C4A CONNECT HAN0H  C1A sp2       0     CHA 0     N A 0     C2A CONNECT HAN0H  C2A sp2       0     C1A 0     C3A +1    CAA CONNECT HAN0H  C3A sp2       0     C2A 0     C4A 0     CMA CONNECT HAN0H  C4A sp2       0     CHB 0     N A 0     C3A CONNECT HAN0H  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA CONNECT HAN0H  N B sp2       0    FE   0     C1B 0     C4B CONNECT HAN0H  C1B sp2       0     CHB 0     N B 0     C2B CONNECT HAN0H  C2B sp2       0     C1B 0     C3B 0     CMB CONNECT HAN0H  C3B sp2       0     C2B    0  C4B    0  CAB CONNECT HAN0H  C4B sp2       0     CHC 0     N B 0     C3B CONNECT HAN0H  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB CONNECT HAN0H  CAB sp2       0     C3B    0  CBB    0  HAB CONNECT HAN0H  CBB sp2       0     CAB    0 1HBB    0 2HBB CONNECT HAN0H  N C sp2       0    FE   0     C1C 0     C4C CONNECT HAN0H  C1C sp2       0     CHC 0     N C 0     C2C CONNECT HAN0H  C2C sp2       0     C1C 0     C3C 0     CMC CONNECT HAN0H  C3C sp2       0     C2C 0     C4C 0     CAC CONNECT HAN0H  C4C sp2       0     CHD 0     N C 0     C3C CONNECT HAN0H  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC CONNECT HAN0H  CAC sp2       0     C3C 0     CBC 0     HAC CONNECT HAN0H  CBC sp2       0     CAC 0    1HBC 0    2HBC CONNECT HAN0H  N D sp2       0    FE   0     C1D 0     C4D CONNECT HAN0H  C1D sp2       0     CHD 0     N D 0     C2D CONNECT HAN0H  C2D sp2       0     C1D 0     C3D 0     CMD CONNECT HAN0H  C3D sp2       0     C2D 0     C4D +2    CAD CONNECT HAN0H  C4D sp2       0     CHA 0     N D 0     C3D CONNECT HAN0H  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD CONNECT HAN0H  HHA s         0     CHA CONNECT HAN0H  HHB s         0     CHB CONNECT HAN0H  HHC s         0     CHC CONNECT HAN0H  HHD s         0     CHD CONNECT HAN0H 1HMA s         0     CMA CONNECT HAN0H 2HMA s         0     CMA CONNECT HAN0H 3HMA s         0     CMA CONNECT HAN0H 1HMB s         0     CMB CONNECT HAN0H 2HMB s         0     CMB CONNECT HAN0H 3HMB s         0     CMB CONNECT HAN0H  HAB         s    0  CAB CONNECT HAN0H 1HBB         s    0  CBB CONNECT HAN0H 2HBB         s    0  CBB CONNECT HAN0H 1HMC s         0     CMC CONNECT HAN0H 2HMC s         0     CMC CONNECT HAN0H 3HMC s         0     CMC CONNECT HAN0H  HAC s         0     CAC CONNECT HAN0H 1HBC s         0     CBC CONNECT HAN0H 2HBC s         0     CBC CONNECT HAN0H 1HMD s         0     CMD CONNECT HAN0H 2HMD s         0     CMD CONNECT HAN0H 3HMD s         0     CMD CONNECT HAN0H  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB CONNECT HAN0H 1HB  s         0     CB CONNECT  HAN0H 2HB  s         0     CB CONNECT  HAN0H  CG  sp2       0     CB  0     ND1 0     CD2 CONNECT HAN0H  ND1 sp2       0     CG  0     CE1 0     HD1 CONNECT HAN0H  HD1 s         0     ND1 CONNECT HAN0H  CE1 sp2       0     ND1 0     NE2 0     HE1 CONNECT HAN0H  HE1 s         0     CE1 CONNECT HAN0H  NE2 sp2       0    FE   0     CE1 0     CD2 CONNECT HAN0H  CD2 sp2       0     NE2 0     CG  0     HD2 CONNECT HAN0H  HD2 s         0     CD2 CONNECT HAN0H  O   sp3       0    FE   0     H CONNECT  HAN0H  H   s         0     O
 * 1) ONNECT  conf atom  orbital  ires conn ires conn ires conn ires conn
 * 2) ONNECT |-||-|||||||||||||

CONNECT HAN+H FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O CONNECT  HAN+H  CHA sp2       0     C1A 0     C4D 0     HHA CONNECT HAN+H  CHB sp2       0     C4A 0     C1B 0     HHB CONNECT HAN+H  CHC sp2       0     C4B 0     C1C 0     HHC CONNECT HAN+H  CHD sp2       0     C4C 0     C1D 0     HHD CONNECT HAN+H  N A sp2       0    FE   0     C1A 0     C4A CONNECT HAN+H  C1A sp2       0     CHA 0     N A 0     C2A CONNECT HAN+H  C2A sp2       0     C1A 0     C3A +1    CAA CONNECT HAN+H  C3A sp2       0     C2A 0     C4A 0     CMA CONNECT HAN+H  C4A sp2       0     CHB 0     N A 0     C3A CONNECT HAN+H  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA CONNECT HAN+H  N B sp2       0    FE   0     C1B 0     C4B CONNECT HAN+H  C1B sp2       0     CHB 0     N B 0     C2B CONNECT HAN+H  C2B sp2       0     C1B 0     C3B 0     CMB CONNECT HAN+H  C3B sp2       0     C2B    0  C4B    0  CAB CONNECT HAN+H  C4B sp2       0     CHC 0     N B 0     C3B CONNECT HAN+H  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB CONNECT HAN+H  CAB sp2       0     C3B    0  CBB    0  HAB CONNECT HAN+H  CBB sp2       0     CAB    0 1HBB    0 2HBB CONNECT HAN+H  N C sp2       0    FE   0     C1C 0     C4C CONNECT HAN+H  C1C sp2       0     CHC 0     N C 0     C2C CONNECT HAN+H  C2C sp2       0     C1C 0     C3C 0     CMC CONNECT HAN+H  C3C sp2       0     C2C 0     C4C 0     CAC CONNECT HAN+H  C4C sp2       0     CHD 0     N C 0     C3C CONNECT HAN+H  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC CONNECT HAN+H  CAC sp2       0     C3C 0     CBC 0     HAC CONNECT HAN+H  CBC sp2       0     CAC 0    1HBC 0    2HBC CONNECT HAN+H  N D sp2       0    FE   0     C1D 0     C4D CONNECT HAN+H  C1D sp2       0     CHD 0     N D 0     C2D CONNECT HAN+H  C2D sp2       0     C1D 0     C3D 0     CMD CONNECT HAN+H  C3D sp2       0     C2D 0     C4D +2    CAD CONNECT HAN+H  C4D sp2       0     CHA 0     N D 0     C3D CONNECT HAN+H  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD CONNECT HAN+H  HHA s         0     CHA CONNECT HAN+H  HHB s         0     CHB CONNECT HAN+H  HHC s         0     CHC CONNECT HAN+H  HHD s         0     CHD CONNECT HAN+H 1HMA s         0     CMA CONNECT HAN+H 2HMA s         0     CMA CONNECT HAN+H 3HMA s         0     CMA CONNECT HAN+H 1HMB s         0     CMB CONNECT HAN+H 2HMB s         0     CMB CONNECT HAN+H 3HMB s         0     CMB CONNECT HAN+H  HAB         s    0  CAB CONNECT HAN+H 1HBB         s    0  CBB CONNECT HAN+H 2HBB         s    0  CBB CONNECT HAN+H 1HMC s         0     CMC CONNECT HAN+H 2HMC s         0     CMC CONNECT HAN+H 3HMC s         0     CMC CONNECT HAN+H  HAC s         0     CAC CONNECT HAN+H 1HBC s         0     CBC CONNECT HAN+H 2HBC s         0     CBC CONNECT HAN+H 1HMD s         0     CMD CONNECT HAN+H 2HMD s         0     CMD CONNECT HAN+H 3HMD s         0     CMD CONNECT HAN+H  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB CONNECT HAN+H 1HB  s         0     CB CONNECT  HAN+H 2HB  s         0     CB CONNECT  HAN+H  CG  sp2       0     CB  0     ND1 0     CD2 CONNECT HAN+H  ND1 sp2       0     CG  0     CE1 0     HD1 CONNECT HAN+H  HD1 s         0     ND1 CONNECT HAN+H  CE1 sp2       0     ND1 0     NE2 0     HE1 CONNECT HAN+H  HE1 s         0     CE1 CONNECT HAN+H  NE2 sp2       0    FE   0     CE1 0     CD2 CONNECT HAN+H  CD2 sp2       0     NE2 0     CG  0     HD2 CONNECT HAN+H  HD2 s         0     CD2 CONNECT HAN+H  O   sp3       0    FE   0     H CONNECT  HAN+H  H   s         0     O

CHARGE  HAN0W FE     2.00 CHARGE  HAN0W  N A  -0.50 CHARGE  HAN0W  N B  -0.50 CHARGE  HAN0W  N C  -0.50 CHARGE  HAN0W  N D  -0.50 CHARGE  HAN0W  O    -0.80 CHARGE  HAN0W 1H     0.40 CHARGE  HAN0W 2H     0.40 CHARGE  HAN0W  CB    0.125 CHARGE  HAN0W  CG    0.155 CHARGE  HAN0W  NE2  -0.560 CHARGE  HAN0W  CE1   0.155 CHARGE  HAN0W  HE1   0.125 CHARGE  HAN0W  ND1  -0.400 CHARGE  HAN0W  HD1   0.400 CHARGE  HAN0W  CD2  -0.125 CHARGE  HAN0W  HD2   0.125

CHARGE  HAN+W FE     3.00 CHARGE  HAN+W  N A  -0.50 CHARGE  HAN+W  N B  -0.50 CHARGE  HAN+W  N C  -0.50 CHARGE  HAN+W  N D  -0.50 CHARGE  HAN+W  O    -0.80 CHARGE  HAN+W 1H     0.40 CHARGE  HAN+W 2H     0.40 CHARGE  HAN+W  CB    0.125 CHARGE  HAN+W  CG    0.155 CHARGE  HAN+W  NE2  -0.560 CHARGE  HAN+W  CE1   0.155 CHARGE  HAN+W  HE1   0.125 CHARGE  HAN+W  ND1  -0.400 CHARGE  HAN+W  HD1   0.400 CHARGE  HAN+W  CD2  -0.125 CHARGE  HAN+W  HD2   0.125

CHARGE  HAN0H FE     2.00 CHARGE  HAN0H  N A  -0.50 CHARGE  HAN0H  N B  -0.50 CHARGE  HAN0H  N C  -0.50 CHARGE  HAN0H  N D  -0.50 CHARGE  HAN0H  O    -1.20 CHARGE  HAN0H  H     0.20 CHARGE  HAN0H  CB    0.125 CHARGE  HAN0H  CG    0.155 CHARGE  HAN0H  NE2  -0.560 CHARGE  HAN0H  CE1   0.155 CHARGE  HAN0H  HE1   0.125 CHARGE  HAN0H  ND1  -0.400 CHARGE  HAN0H  HD1   0.400 CHARGE  HAN0H  CD2  -0.125 CHARGE  HAN0H  HD2   0.125

CHARGE  HAN+H FE     3.00 CHARGE  HAN+H  N A  -0.50 CHARGE  HAN+H  N B  -0.50 CHARGE  HAN+H  N C  -0.50 CHARGE  HAN+H  N D  -0.50 CHARGE  HAN+H  O    -1.20 CHARGE  HAN+H  H     0.20 CHARGE  HAN+H  CB    0.125 CHARGE  HAN+H  CG    0.155 CHARGE  HAN+H  NE2  -0.560 CHARGE  HAN+H  CE1   0.155 CHARGE  HAN+H  HE1   0.125 CHARGE  HAN+H  ND1  -0.400 CHARGE  HAN+H  HD1   0.400 CHARGE  HAN+H  CD2  -0.125 CHARGE  HAN+H  HD2   0.125

TORSION HAN    H    O   FE    N A  f      0.000        12      0.00 TORSION HAN   1H    O   FE    N A  f      0.000        12      0.00 TORSION HMB   1HMA  CMA  C3A  C2A  f        0.0         2      0.00 TORSION HMB   1HMD  CMD  C2D  C3D  f        0.0         2      0.00