0HM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | NAI | sing | 1.34Å | 1.33Å | Aromatic |
| CAJ | CAK | doub | 1.35Å | 1.33Å | Aromatic |
| NAI | CAH | doub | 1.31Å | 1.33Å | Aromatic |
| CAK | NAG | sing | 1.37Å | 1.33Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | NAG | sing | 1.35Å | 1.33Å | Aromatic |
| CAH | CBD | sing | 1.51Å | 1.53Å | |
| CAF | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| NAG | CAL | sing | 1.47Å | 1.47Å | |
| CBD | NAN | sing | 1.47Å | 1.48Å | |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | NAN | sing | 1.31Å | 1.40Å | Aromatic |
| CAM | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAA | CAL | sing | 1.51Å | 1.53Å | |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| NAN | CAO | doub | 1.33Å | 1.41Å | Aromatic |
| CAQ | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAS | sing | 1.48Å | 1.53Å | |
| CAO | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| CAR | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| OAU | CAS | doub | 1.22Å | 1.23Å | |
| CAS | NAT | sing | 1.35Å | 1.33Å | |
| CAP | OBE | sing | 1.36Å | 1.36Å | |
| NAT | CAX | sing | 1.40Å | 1.33Å | |
| CAX | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAY | sing | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CBA | CBB | sing | 1.51Å | 1.53Å | |
| CBB | NBC | sing | 1.47Å | 1.47Å | |
| CAB | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAF | H5 | sing | 1.08Å | 1.08Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CBD | H10 | sing | 1.09Å | 1.10Å | |
| CBD | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.08Å | 1.08Å | |
| CAQ | H13 | sing | 1.08Å | 1.08Å | |
| CAR | H14 | sing | 1.08Å | 1.08Å | |
| OBE | H15 | sing | 0.97Å | 0.95Å | |
| NAT | H16 | sing | 0.97Å | 1.00Å | |
| CAY | H17 | sing | 1.08Å | 1.08Å | |
| CAZ | H18 | sing | 1.08Å | 1.08Å | |
| CAW | H19 | sing | 1.08Å | 1.08Å | |
| CAV | H20 | sing | 1.08Å | 1.08Å | |
| CBB | H21 | sing | 1.09Å | 1.10Å | |
| CBB | H22 | sing | 1.09Å | 1.10Å | |
| NBC | H23 | sing | 1.01Å | 1.00Å | |
| NBC | H24 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAI | CAJ | CAK | 108.2° | 108.0° |
| CAJ | NAI | CAH | 108.9° | 109.3° |
| NAI | CAJ | H9 | 125.9° | 126.0° |
| CAJ | CAK | NAG | 106.8° | 106.8° |
| CAJ | CAK | H8 | 126.6° | 126.6° |
| CAK | CAJ | H9 | 125.9° | 126.0° |
| NAI | CAH | NAG | 106.3° | 108.7° |
| NAI | CAH | CBD | 125.9° | 125.7° |
| CAK | NAG | CAH | 109.8° | 107.2° |
| CAK | NAG | CAL | 124.3° | 126.4° |
| NAG | CAK | H8 | 126.6° | 126.6° |
| CAF | CAE | CAD | 120.0° | 120.0° |
| CAE | CAF | CAA | 120.2° | 120.0° |
| CAF | CAE | H4 | 120.0° | 120.1° |
| CAE | CAF | H5 | 119.9° | 120.0° |
| CAE | CAD | CAC | 120.0° | 120.0° |
| CAE | CAD | H3 | 120.0° | 120.0° |
| CAD | CAE | H4 | 120.0° | 120.0° |
| NAG | CAH | CBD | 127.8° | 125.7° |
| CAH | NAG | CAL | 125.8° | 126.4° |
| CAH | CBD | NAN | 111.6° | 109.5° |
| CAH | CBD | H10 | 108.9° | 109.4° |
| CAH | CBD | H11 | 108.9° | 109.5° |
| CAF | CAA | CAL | 120.4° | 120.0° |
| CAF | CAA | CAB | 119.7° | 120.0° |
| CAA | CAF | H5 | 119.9° | 120.0° |
| NAG | CAL | CAA | 110.9° | 109.5° |
| NAG | CAL | H6 | 109.1° | 109.5° |
| NAG | CAL | H7 | 109.1° | 109.5° |
| CBD | NAN | CAM | 119.4° | 119.1° |
| CBD | NAN | CAO | 120.6° | 119.1° |
| NAN | CBD | H10 | 108.9° | 109.5° |
| NAN | CBD | H11 | 108.9° | 109.5° |
| CAD | CAC | CAB | 119.9° | 120.0° |
| CAD | CAC | H2 | 120.0° | 120.0° |
| CAC | CAD | H3 | 120.0° | 120.0° |
| NAN | CAM | CAQ | 120.0° | 121.0° |
| CAM | NAN | CAO | 119.9° | 121.7° |
| NAN | CAM | H12 | 120.0° | 119.4° |
| CAM | CAQ | CAR | 119.7° | 119.5° |
| CAQ | CAM | H12 | 120.0° | 119.5° |
| CAM | CAQ | H13 | 120.1° | 120.3° |
| CAL | CAA | CAB | 119.9° | 120.0° |
| CAA | CAL | H6 | 109.1° | 109.5° |
| CAA | CAL | H7 | 109.1° | 109.5° |
| CAA | CAB | CAC | 120.2° | 120.0° |
| CAA | CAB | H1 | 119.9° | 120.0° |
| NAN | CAO | CAS | 120.1° | 119.8° |
| NAN | CAO | CAP | 119.6° | 120.4° |
| CAQ | CAR | CAP | 120.7° | 118.5° |
| CAR | CAQ | H13 | 120.2° | 120.3° |
| CAQ | CAR | H14 | 119.6° | 120.8° |
| CAC | CAB | H1 | 119.9° | 120.0° |
| CAB | CAC | H2 | 120.1° | 120.0° |
| CAS | CAO | CAP | 120.1° | 119.8° |
| CAO | CAS | OAU | 120.0° | 120.0° |
| CAO | CAS | NAT | 115.3° | 120.0° |
| CAO | CAP | CAR | 120.0° | 118.9° |
| CAO | CAP | OBE | 120.6° | 120.5° |
| CAR | CAP | OBE | 119.4° | 120.5° |
| CAP | CAR | H14 | 119.7° | 120.8° |
| OAU | CAS | NAT | 124.7° | 120.0° |
| CAS | NAT | CAX | 124.6° | 120.0° |
| CAS | NAT | H16 | 117.7° | 120.1° |
| CAP | OBE | H15 | 109.5° | 114.0° |
| NAT | CAX | CAW | 122.3° | 120.1° |
| NAT | CAX | CAY | 118.6° | 120.0° |
| CAX | NAT | H16 | 117.7° | 119.9° |
| CAW | CAX | CAY | 119.1° | 119.8° |
| CAX | CAW | CAV | 120.4° | 120.0° |
| CAX | CAW | H19 | 119.8° | 120.0° |
| CAX | CAY | CAZ | 120.6° | 119.9° |
| CAX | CAY | H17 | 119.7° | 120.0° |
| CAW | CAV | CBA | 120.3° | 120.1° |
| CAV | CAW | H19 | 119.8° | 120.0° |
| CAW | CAV | H20 | 119.8° | 120.0° |
| CAY | CAZ | CBA | 120.1° | 120.2° |
| CAZ | CAY | H17 | 119.7° | 120.1° |
| CAY | CAZ | H18 | 120.0° | 119.9° |
| CAV | CBA | CAZ | 119.5° | 120.1° |
| CAV | CBA | CBB | 119.7° | 119.9° |
| CBA | CAV | H20 | 119.9° | 119.9° |
| CAZ | CBA | CBB | 120.8° | 120.0° |
| CBA | CAZ | H18 | 120.0° | 119.9° |
| CBA | CBB | NBC | 110.7° | 109.5° |
| CBA | CBB | H21 | 109.2° | 109.5° |
| CBA | CBB | H22 | 109.2° | 109.5° |
| NBC | CBB | H21 | 109.2° | 109.5° |
| NBC | CBB | H22 | 109.1° | 109.5° |
| CBB | NBC | H23 | 109.5° | 111.0° |
| CBB | NBC | H24 | 109.5° | 111.0° |
| H6 | CAL | H7 | 109.4° | 109.4° |
| H10 | CBD | H11 | 109.5° | 109.4° |
| H21 | CBB | H22 | 109.5° | 109.4° |
| H23 | NBC | H24 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAI | CAJ | CAK | H9 | 180.0° | 179.7° |
| NAI | CAJ | CAK | NAG | 0.2° | 0.0° |
| CAJ | NAI | CAH | NAG | 0.5° | 0.5° |
| CAJ | NAI | CAH | CBD | 179.9° | 180.0° |
| NAI | CAJ | CAK | H8 | 179.7° | 179.9° |
| CAK | CAJ | NAI | CAH | 0.2° | 0.3° |
| CAJ | CAK | NAG | H8 | 180.0° | 180.0° |
| CAJ | CAK | NAG | CAH | 0.6° | 0.3° |
| CAJ | CAK | NAG | CAL | 178.7° | 180.0° |
| NAI | CAH | NAG | CAK | 0.7° | 0.5° |
| NAI | CAH | NAG | CBD | 179.6° | 179.5° |
| NAI | CAH | NAG | CAL | 178.6° | 179.8° |
| NAI | CAH | CBD | NAN | 90.5° | 85.3° |
| CAH | NAI | CAJ | H9 | 179.8° | 180.0° |
| NAI | CAH | CBD | H10 | 29.8° | 34.7° |
| NAI | CAH | CBD | H11 | 149.2° | 154.7° |
| CAK | NAG | CAH | CAL | 179.3° | 179.7° |
| CAK | NAG | CAH | CBD | 179.7° | 180.0° |
| CAK | NAG | CAL | CAA | 86.3° | 93.2° |
| CAK | NAG | CAL | H6 | 33.9° | 146.7° |
| CAK | NAG | CAL | H7 | 153.5° | 26.8° |
| NAG | CAK | CAJ | H9 | 179.8° | 179.7° |
| CAF | CAE | CAD | H4 | 180.0° | 179.8° |
| CAE | CAF | CAA | H5 | 180.0° | 179.8° |
| CAF | CAE | CAD | CAC | 0.0° | 0.0° |
| CAE | CAF | CAA | CAL | 178.6° | 180.0° |
| CAE | CAF | CAA | CAB | 0.2° | 0.5° |
| CAF | CAE | CAD | H3 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAA | 0.1° | 0.2° |
| CAE | CAD | CAC | H3 | 180.0° | 180.0° |
| CAE | CAD | CAC | CAB | 0.1° | 0.0° |
| CAE | CAD | CAC | H2 | 179.9° | 179.9° |
| CAD | CAE | CAF | H5 | 180.0° | 180.0° |
| NAG | CAH | CBD | NAN | 90.0° | 94.1° |
| CAH | NAG | CAL | CAA | 92.8° | 86.5° |
| CAH | NAG | CAL | H6 | 146.9° | 33.6° |
| CAH | NAG | CAL | H7 | 27.4° | 153.5° |
| CAH | NAG | CAK | H8 | 179.4° | 179.8° |
| NAG | CAH | CBD | H10 | 149.7° | 145.9° |
| NAG | CAH | CBD | H11 | 30.4° | 25.9° |
| CBD | CAH | NAG | CAL | 1.0° | 0.3° |
| CAH | CBD | NAN | H10 | 120.3° | 120.0° |
| CAH | CBD | NAN | H11 | 120.3° | 120.0° |
| CAH | CBD | NAN | CAM | 67.7° | 93.4° |
| CAH | CBD | NAN | CAO | 111.5° | 86.4° |
| CAH | CBD | H10 | H11 | 119.0° | 120.0° |
| CAF | CAA | CAL | NAG | 27.5° | 84.4° |
| CAF | CAA | CAL | CAB | 178.7° | 179.4° |
| CAF | CAA | CAB | CAC | 0.1° | 0.6° |
| CAF | CAA | CAB | H1 | 179.9° | 179.7° |
| CAA | CAF | CAE | H4 | 180.0° | 179.9° |
| CAF | CAA | CAL | H6 | 92.8° | 155.6° |
| CAF | CAA | CAL | H7 | 147.7° | 35.6° |
| NAG | CAL | CAA | H6 | 120.2° | 120.0° |
| NAG | CAL | CAA | H7 | 120.2° | 120.0° |
| NAG | CAL | CAA | CAB | 153.8° | 96.2° |
| NAG | CAL | H6 | H7 | 119.4° | 120.0° |
| CAL | NAG | CAK | H8 | 1.3° | 0.0° |
| CBD | NAN | CAM | CAO | 179.2° | 179.7° |
| CBD | NAN | CAM | CAQ | 178.8° | 180.0° |
| CBD | NAN | CAO | CAS | 6.0° | 0.0° |
| CBD | NAN | CAO | CAP | 178.4° | 179.8° |
| NAN | CBD | H10 | H11 | 119.0° | 120.0° |
| CBD | NAN | CAM | H12 | 1.2° | 0.0° |
| CAD | CAC | CAB | CAA | 0.0° | 0.3° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | H1 | 180.0° | 179.9° |
| CAC | CAD | CAE | H4 | 179.9° | 179.8° |
| NAN | CAM | CAQ | H12 | 180.0° | 180.0° |
| NAN | CAM | CAQ | CAR | 0.1° | 0.0° |
| CAM | NAN | CAO | CAS | 174.9° | 179.7° |
| CAM | NAN | CAO | CAP | 0.8° | 0.5° |
| CAM | NAN | CBD | H10 | 52.6° | 146.6° |
| CAM | NAN | CBD | H11 | 171.9° | 26.7° |
| NAN | CAM | CAQ | H13 | 179.9° | 180.0° |
| CAQ | CAM | NAN | CAO | 0.4° | 0.2° |
| CAM | CAQ | CAR | H13 | 180.0° | 180.0° |
| CAM | CAQ | CAR | CAP | 0.2° | 0.0° |
| CAM | CAQ | CAR | H14 | 179.8° | 180.0° |
| CAL | CAA | CAB | CAC | 178.6° | 180.0° |
| CAL | CAA | CAB | H1 | 1.4° | 0.3° |
| CAL | CAA | CAF | H5 | 1.4° | 0.3° |
| CAA | CAL | H6 | H7 | 119.4° | 120.0° |
| CAA | CAB | CAC | H1 | 180.0° | 179.7° |
| CAA | CAB | CAC | H2 | 180.0° | 179.7° |
| CAB | CAA | CAF | H5 | 179.9° | 179.7° |
| CAB | CAA | CAL | H6 | 86.0° | 23.8° |
| CAB | CAA | CAL | H7 | 33.6° | 143.8° |
| NAN | CAO | CAS | CAP | 175.6° | 179.8° |
| NAN | CAO | CAP | CAR | 0.7° | 0.5° |
| NAN | CAO | CAS | OAU | 46.5° | 97.4° |
| NAN | CAO | CAS | NAT | 133.6° | 82.6° |
| NAN | CAO | CAP | OBE | 178.4° | 179.7° |
| CAO | NAN | CBD | H10 | 128.2° | 33.6° |
| CAO | NAN | CBD | H11 | 8.9° | 153.6° |
| CAO | NAN | CAM | H12 | 179.6° | 179.7° |
| CAQ | CAR | CAP | CAO | 0.2° | 0.2° |
| CAQ | CAR | CAP | H14 | 180.0° | 180.0° |
| CAQ | CAR | CAP | OBE | 178.9° | 180.0° |
| CAR | CAQ | CAM | H12 | 179.9° | 180.0° |
| CAB | CAC | CAD | H3 | 179.9° | 180.0° |
| CAS | CAO | CAP | CAR | 174.9° | 179.8° |
| CAO | CAS | OAU | NAT | 179.9° | 180.0° |
| CAS | CAO | CAP | OBE | 6.0° | 0.0° |
| CAO | CAS | NAT | CAX | 177.1° | 173.3° |
| CAO | CAS | NAT | H16 | 2.9° | 6.7° |
| CAO | CAP | CAR | OBE | 179.1° | 179.8° |
| CAP | CAO | CAS | OAU | 129.1° | 82.8° |
| CAP | CAO | CAS | NAT | 50.8° | 97.2° |
| CAO | CAP | CAR | H14 | 179.8° | 179.8° |
| CAO | CAP | OBE | H15 | 180.0° | 84.9° |
| CAP | CAR | CAQ | H13 | 179.8° | 180.0° |
| CAR | CAP | OBE | H15 | 0.9° | 94.9° |
| OAU | CAS | NAT | CAX | 3.0° | 6.6° |
| OAU | CAS | NAT | H16 | 177.0° | 173.3° |
| CAS | NAT | CAX | H16 | 180.0° | 180.0° |
| CAS | NAT | CAX | CAW | 15.2° | 146.6° |
| CAS | NAT | CAX | CAY | 162.2° | 33.7° |
| OBE | CAP | CAR | H14 | 1.1° | 0.0° |
| NAT | CAX | CAW | CAY | 177.4° | 179.7° |
| NAT | CAX | CAW | CAV | 177.3° | 180.0° |
| NAT | CAX | CAY | CAZ | 177.3° | 180.0° |
| NAT | CAX | CAY | H17 | 2.7° | 0.0° |
| NAT | CAX | CAW | H19 | 2.7° | 0.0° |
| CAX | CAW | CAV | H19 | 180.0° | 180.0° |
| CAW | CAX | CAY | CAZ | 0.2° | 0.3° |
| CAX | CAW | CAV | CBA | 0.1° | 0.0° |
| CAW | CAX | NAT | H16 | 164.8° | 33.4° |
| CAW | CAX | CAY | H17 | 179.8° | 179.8° |
| CAX | CAW | CAV | H20 | 179.9° | 180.0° |
| CAY | CAX | CAW | CAV | 0.1° | 0.3° |
| CAX | CAY | CAZ | H17 | 180.0° | 180.0° |
| CAX | CAY | CAZ | CBA | 0.1° | 0.0° |
| CAY | CAX | NAT | H16 | 17.8° | 146.3° |
| CAX | CAY | CAZ | H18 | 179.9° | 180.0° |
| CAY | CAX | CAW | H19 | 179.9° | 179.7° |
| CAW | CAV | CBA | H20 | 180.0° | 180.0° |
| CAW | CAV | CBA | CAZ | 0.2° | 0.3° |
| CAW | CAV | CBA | CBB | 179.4° | 180.0° |
| CAY | CAZ | CBA | CAV | 0.1° | 0.3° |
| CAY | CAZ | CBA | H18 | 180.0° | 180.0° |
| CAY | CAZ | CBA | CBB | 179.5° | 180.0° |
| CAV | CBA | CAZ | CBB | 179.5° | 179.7° |
| CAV | CBA | CBB | NBC | 163.4° | 89.7° |
| CAV | CBA | CAZ | H18 | 179.9° | 179.7° |
| CBA | CAV | CAW | H19 | 179.9° | 180.0° |
| CAV | CBA | CBB | H21 | 43.2° | 30.3° |
| CAV | CBA | CBB | H22 | 76.4° | 150.2° |
| CAZ | CBA | CBB | NBC | 17.0° | 90.0° |
| CBA | CAZ | CAY | H17 | 179.9° | 180.0° |
| CAZ | CBA | CAV | H20 | 179.8° | 179.7° |
| CAZ | CBA | CBB | H21 | 137.2° | 150.0° |
| CAZ | CBA | CBB | H22 | 103.1° | 30.1° |
| CBA | CBB | NBC | H21 | 120.2° | 120.0° |
| CBA | CBB | NBC | H22 | 120.2° | 120.0° |
| CBB | CBA | CAZ | H18 | 0.6° | 0.0° |
| CBB | CBA | CAV | H20 | 0.7° | 0.0° |
| CBA | CBB | H21 | H22 | 119.5° | 120.0° |
| CBA | CBB | NBC | H23 | 180.0° | 56.0° |
| CBA | CBB | NBC | H24 | 60.0° | 180.0° |
| NBC | CBB | H21 | H22 | 119.4° | 120.0° |
| CBB | NBC | H23 | H24 | 120.0° | 124.0° |
| H1 | CAB | CAC | H2 | 0.0° | 0.0° |
| H2 | CAC | CAD | H3 | 0.1° | 0.1° |
| H3 | CAD | CAE | H4 | 0.1° | 0.2° |
| H4 | CAE | CAF | H5 | 0.0° | 0.2° |
| H8 | CAK | CAJ | H9 | 0.3° | 0.2° |
| H12 | CAM | CAQ | H13 | 0.1° | 0.1° |
| H13 | CAQ | CAR | H14 | 0.2° | 0.0° |
| H17 | CAY | CAZ | H18 | 0.1° | 0.1° |
| H19 | CAW | CAV | H20 | 0.1° | 0.1° |
| H21 | CBB | NBC | H23 | 59.8° | 64.0° |
| H21 | CBB | NBC | H24 | 179.8° | 60.0° |
| H22 | CBB | NBC | H23 | 59.8° | 176.1° |
| H22 | CBB | NBC | H24 | 60.2° | 59.9° |
