92T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NBF | CBE | trip | 1.14Å | 1.12Å | |
| CL1 | CAI | sing | 1.74Å | 1.76Å | |
| CBE | CBB | sing | 1.43Å | 1.40Å | |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CBB | CBA | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CBC | sing | 1.40Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAK | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CBC | CAW | doub | 1.38Å | 1.34Å | Aromatic |
| CAZ | CAV | doub | 1.39Å | 1.34Å | Aromatic |
| CBH | CAH | sing | 1.54Å | 1.53Å | |
| CBH | CAN | sing | 1.54Å | 1.53Å | |
| CAW | CAV | sing | 1.40Å | 1.35Å | Aromatic |
| CAW | NAX | sing | 1.39Å | 1.33Å | |
| CAV | NAU | sing | 1.39Å | 1.33Å | |
| CAG | NAA | sing | 1.40Å | 1.34Å | |
| CAG | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAH | CAE | sing | 1.51Å | 1.55Å | |
| CAH | CBG | sing | 1.54Å | 1.54Å | |
| CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| NAA | CAE | sing | 1.35Å | 1.33Å | Aromatic |
| NAA | CAB | sing | 1.37Å | 1.34Å | Aromatic |
| NAX | CAY | sing | 1.35Å | 1.31Å | |
| CAE | NAD | doub | 1.31Å | 1.33Å | Aromatic |
| NAU | CAY | sing | 1.35Å | 1.32Å | |
| NAU | CAN | sing | 1.46Å | 1.51Å | |
| C6 | N1 | sing | 1.32Å | 1.40Å | Aromatic |
| CAY | OBD | doub | 1.22Å | 1.22Å | |
| CAB | C4 | sing | 1.48Å | 1.34Å | |
| CAB | NAC | doub | 1.32Å | 1.34Å | Aromatic |
| CAN | CBG | sing | 1.54Å | 1.52Å | |
| NAD | NAC | sing | 1.29Å | 1.29Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.41Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| NAX | H2 | sing | 0.97Å | 1.00Å | |
| CBC | H3 | sing | 1.08Å | 1.08Å | |
| CBA | H4 | sing | 1.08Å | 1.08Å | |
| CAZ | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CBH | H7 | sing | 1.09Å | 1.10Å | |
| CBH | H8 | sing | 1.09Å | 1.10Å | |
| CBG | H9 | sing | 1.09Å | 1.10Å | |
| CBG | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAL | H16 | sing | 1.08Å | 1.08Å | |
| CAM | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBF | CBE | CBB | 175.4° | 179.9° |
| CL1 | CAI | CAJ | 119.7° | 120.1° |
| CL1 | CAI | CAG | 120.3° | 120.0° |
| CBE | CBB | CBA | 120.0° | 120.0° |
| CBE | CBB | CBC | 120.1° | 120.0° |
| CAI | CAJ | CAK | 119.4° | 120.0° |
| CAJ | CAI | CAG | 120.0° | 119.9° |
| CAI | CAJ | H14 | 120.3° | 120.0° |
| CAJ | CAK | CAL | 121.0° | 120.2° |
| CAK | CAJ | H14 | 120.3° | 120.0° |
| CAJ | CAK | H15 | 119.5° | 119.9° |
| CBA | CBB | CBC | 119.9° | 120.0° |
| CBB | CBA | CAZ | 118.9° | 120.2° |
| CBB | CBA | H4 | 120.5° | 119.9° |
| CBB | CBC | CAW | 118.5° | 119.7° |
| CBB | CBC | H3 | 120.7° | 120.1° |
| CBA | CAZ | CAV | 119.4° | 120.0° |
| CAZ | CBA | H4 | 120.6° | 119.9° |
| CBA | CAZ | H5 | 120.3° | 120.0° |
| CAI | CAG | NAA | 119.5° | 120.1° |
| CAI | CAG | CAM | 120.4° | 119.8° |
| CAK | CAL | CAM | 119.5° | 120.1° |
| CAL | CAK | H15 | 119.5° | 120.0° |
| CAK | CAL | H16 | 120.2° | 120.0° |
| CBC | CAW | CAV | 122.0° | 120.0° |
| CBC | CAW | NAX | 129.5° | 133.3° |
| CAW | CBC | H3 | 120.7° | 120.1° |
| CAZ | CAV | CAW | 121.2° | 120.1° |
| CAZ | CAV | NAU | 131.1° | 133.1° |
| CAV | CAZ | H5 | 120.3° | 119.9° |
| CAH | CBH | CAN | 89.4° | 87.1° |
| CBH | CAH | CAE | 112.6° | 113.6° |
| CBH | CAH | CBG | 90.3° | 87.1° |
| CAH | CBH | H7 | 114.2° | 113.6° |
| CAH | CBH | H8 | 114.2° | 113.6° |
| CBH | CAH | H11 | 114.0° | 113.6° |
| CBH | CAN | NAU | 108.9° | 113.6° |
| CBH | CAN | CBG | 91.0° | 87.1° |
| CBH | CAN | H6 | 112.7° | 113.7° |
| CAN | CBH | H7 | 114.2° | 113.6° |
| CAN | CBH | H8 | 114.2° | 113.6° |
| CAV | CAW | NAX | 108.5° | 106.7° |
| CAW | CAV | NAU | 107.7° | 106.8° |
| CAW | NAX | CAY | 106.2° | 108.3° |
| CAW | NAX | H2 | 126.9° | 125.8° |
| CAV | NAU | CAY | 106.2° | 108.4° |
| CAV | NAU | CAN | 136.3° | 125.8° |
| NAA | CAG | CAM | 120.0° | 120.1° |
| CAG | NAA | CAE | 125.0° | 127.0° |
| CAG | NAA | CAB | 130.1° | 127.1° |
| CAG | CAM | CAL | 119.6° | 120.0° |
| CAG | CAM | H17 | 120.1° | 120.1° |
| CAE | CAH | CBG | 110.5° | 113.6° |
| CAH | CAE | NAA | 124.2° | 126.2° |
| CAH | CAE | NAD | 126.6° | 126.2° |
| CAE | CAH | H11 | 113.6° | 112.8° |
| CAH | CBG | CAN | 89.2° | 87.1° |
| CAH | CBG | H9 | 114.3° | 113.6° |
| CAH | CBG | H10 | 114.3° | 113.7° |
| CBG | CAH | H11 | 113.8° | 113.7° |
| CAM | CAL | H16 | 120.3° | 120.0° |
| CAL | CAM | H17 | 120.2° | 120.0° |
| C6 | C5 | C4 | 120.3° | 118.3° |
| C5 | C6 | N1 | 119.2° | 119.2° |
| C5 | C6 | H12 | 120.4° | 120.4° |
| C6 | C5 | H13 | 119.9° | 120.9° |
| C5 | C4 | CAB | 120.1° | 120.6° |
| C5 | C4 | N3 | 120.4° | 118.8° |
| C4 | C5 | H13 | 119.9° | 120.8° |
| CAE | NAA | CAB | 105.0° | 105.9° |
| NAA | CAE | NAD | 109.2° | 107.6° |
| NAA | CAB | C4 | 127.9° | 126.6° |
| NAA | CAB | NAC | 109.6° | 106.9° |
| NAX | CAY | NAU | 111.4° | 109.7° |
| NAX | CAY | OBD | 124.7° | 125.1° |
| CAY | NAX | H2 | 126.9° | 125.9° |
| CAE | NAD | NAC | 108.8° | 110.0° |
| CAY | NAU | CAN | 117.5° | 125.8° |
| NAU | CAY | OBD | 123.9° | 125.1° |
| NAU | CAN | CBG | 116.3° | 113.6° |
| NAU | CAN | H6 | 113.1° | 112.9° |
| C6 | N1 | C2 | 120.7° | 121.1° |
| N1 | C6 | H12 | 120.4° | 120.4° |
| C4 | CAB | NAC | 122.5° | 126.5° |
| CAB | C4 | N3 | 119.4° | 120.5° |
| CAB | NAC | NAD | 107.4° | 109.6° |
| CBG | CAN | H6 | 112.9° | 113.6° |
| CAN | CBG | H9 | 114.3° | 113.6° |
| CAN | CBG | H10 | 114.3° | 113.6° |
| C4 | N3 | C2 | 121.0° | 120.7° |
| N1 | C2 | N3 | 118.4° | 121.9° |
| N1 | C2 | H1 | 120.8° | 119.0° |
| N3 | C2 | H1 | 120.8° | 119.1° |
| H7 | CBH | H8 | 109.5° | 112.9° |
| H9 | CBG | H10 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBF | CBE | CBB | CBA | 10.2° | 100.1° |
| NBF | CBE | CBB | CBC | 169.5° | 79.9° |
| CL1 | CAI | CAJ | CAG | 178.2° | 180.0° |
| CL1 | CAI | CAJ | CAK | 178.8° | 180.0° |
| CL1 | CAI | CAG | NAA | 2.5° | 0.1° |
| CL1 | CAI | CAG | CAM | 179.5° | 179.8° |
| CL1 | CAI | CAJ | H14 | 1.2° | 0.0° |
| CBE | CBB | CBA | CBC | 179.7° | 180.0° |
| CBE | CBB | CBA | CAZ | 179.7° | 180.0° |
| CBE | CBB | CBC | CAW | 179.6° | 180.0° |
| CBE | CBB | CBC | H3 | 0.4° | 0.1° |
| CBE | CBB | CBA | H4 | 0.3° | 0.0° |
| CAI | CAJ | CAK | H14 | 180.0° | 180.0° |
| CAI | CAJ | CAK | CAL | 0.4° | 0.0° |
| CAJ | CAI | CAG | NAA | 179.3° | 180.0° |
| CAJ | CAI | CAG | CAM | 1.3° | 0.2° |
| CAI | CAJ | CAK | H15 | 179.6° | 180.0° |
| CAK | CAJ | CAI | CAG | 0.5° | 0.0° |
| CAJ | CAK | CAL | H15 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAM | 0.6° | 0.3° |
| CAJ | CAK | CAL | H16 | 179.4° | 179.9° |
| CBB | CBA | CAZ | H4 | 180.0° | 180.0° |
| CBA | CBB | CBC | CAW | 0.7° | 0.1° |
| CBB | CBA | CAZ | CAV | 0.3° | 0.0° |
| CBA | CBB | CBC | H3 | 179.3° | 179.9° |
| CBB | CBA | CAZ | H5 | 179.7° | 180.0° |
| CBC | CBB | CBA | CAZ | 0.6° | 0.0° |
| CBB | CBC | CAW | H3 | 180.0° | 179.9° |
| CBB | CBC | CAW | CAV | 0.5° | 0.0° |
| CBB | CBC | CAW | NAX | 179.9° | 179.7° |
| CBC | CBB | CBA | H4 | 179.4° | 180.0° |
| CBA | CAZ | CAV | H5 | 180.0° | 179.9° |
| CBA | CAZ | CAV | CAW | 0.1° | 0.1° |
| CBA | CAZ | CAV | NAU | 179.6° | 179.9° |
| CAI | CAG | NAA | CAM | 178.0° | 179.8° |
| CAI | CAG | CAM | CAL | 1.1° | 0.4° |
| CAI | CAG | NAA | CAE | 106.2° | 89.8° |
| CAI | CAG | NAA | CAB | 73.2° | 90.4° |
| CAG | CAI | CAJ | H14 | 179.5° | 180.0° |
| CAI | CAG | CAM | H17 | 178.9° | 179.7° |
| CAK | CAL | CAM | CAG | 0.2° | 0.5° |
| CAK | CAL | CAM | H16 | 180.0° | 179.8° |
| CAL | CAK | CAJ | H14 | 179.6° | 180.0° |
| CAK | CAL | CAM | H17 | 179.8° | 179.7° |
| CBC | CAW | CAV | CAZ | 0.2° | 0.1° |
| CBC | CAW | CAV | NAX | 179.7° | 179.8° |
| CBC | CAW | CAV | NAU | 179.5° | 179.9° |
| CBC | CAW | NAX | CAY | 179.6° | 179.7° |
| CBC | CAW | NAX | H2 | 0.4° | 0.2° |
| CAZ | CAV | CAW | NAU | 179.7° | 179.9° |
| CAZ | CAV | CAW | NAX | 179.9° | 179.8° |
| CAZ | CAV | NAU | CAY | 179.3° | 179.7° |
| CAZ | CAV | NAU | CAN | 1.8° | 0.1° |
| CAV | CAZ | CBA | H4 | 179.7° | 180.0° |
| CAH | CBH | CAN | H7 | 116.4° | 114.6° |
| CAH | CBH | CAN | H8 | 116.4° | 114.5° |
| CBH | CAH | CAE | CBG | 99.3° | 97.5° |
| CBH | CAH | CAE | H11 | 131.5° | 131.2° |
| CBH | CAH | CBG | H11 | 116.5° | 114.6° |
| CBH | CAH | CAE | NAA | 153.1° | 120.3° |
| CBH | CAH | CAE | NAD | 28.1° | 60.1° |
| CAH | CBH | CAN | NAU | 120.8° | 89.1° |
| CAH | CBH | CAN | CBG | 2.5° | 25.4° |
| CAH | CBH | CAN | H6 | 112.8° | 139.9° |
| CAH | CBH | H7 | H8 | 129.5° | 131.3° |
| CBH | CAH | CBG | H9 | 113.9° | 89.1° |
| CBH | CAH | CBG | H10 | 118.9° | 140.0° |
| CBH | CAN | NAU | CAV | 62.8° | 88.8° |
| CAN | CBH | CAH | CAE | 109.9° | 140.0° |
| CBH | CAN | NAU | CAY | 114.6° | 90.7° |
| CBH | CAN | NAU | CBG | 100.9° | 97.5° |
| CBH | CAN | NAU | H6 | 126.1° | 131.3° |
| CBH | CAN | CBG | H6 | 115.2° | 114.6° |
| CAN | CBH | H7 | H8 | 129.5° | 131.3° |
| CBH | CAN | CBG | H9 | 113.9° | 89.1° |
| CBH | CAN | CBG | H10 | 118.9° | 140.1° |
| CAN | CBH | CAH | H11 | 118.8° | 89.2° |
| CAV | CAW | NAX | CAY | 0.8° | 0.0° |
| CAW | CAV | NAU | CAY | 1.0° | 0.5° |
| CAW | CAV | NAU | CAN | 178.5° | 180.0° |
| CAV | CAW | NAX | H2 | 179.2° | 179.9° |
| CAV | CAW | CBC | H3 | 179.5° | 179.9° |
| CAW | CAV | CAZ | H5 | 180.0° | 180.0° |
| NAX | CAW | CAV | NAU | 0.2° | 0.3° |
| CAW | NAX | CAY | H2 | 180.0° | 179.9° |
| CAW | NAX | CAY | NAU | 1.4° | 0.3° |
| CAW | NAX | CAY | OBD | 179.4° | 179.9° |
| NAX | CAW | CBC | H3 | 0.1° | 0.2° |
| CAV | NAU | CAY | NAX | 1.5° | 0.5° |
| CAV | NAU | CAY | CAN | 178.1° | 179.6° |
| CAV | NAU | CAY | OBD | 179.6° | 179.9° |
| CAV | NAU | CAN | CBG | 38.2° | 173.7° |
| NAU | CAV | CAZ | H5 | 0.4° | 0.1° |
| CAV | NAU | CAN | H6 | 171.1° | 42.6° |
| CAG | NAA | CAE | CAH | 0.8° | 0.0° |
| NAA | CAG | CAM | CAL | 179.1° | 179.7° |
| CAG | NAA | CAE | CAB | 179.5° | 179.8° |
| CAG | NAA | CAE | NAD | 179.8° | 179.7° |
| CAG | NAA | CAB | C4 | 1.4° | 0.0° |
| CAG | NAA | CAB | NAC | 179.8° | 179.7° |
| NAA | CAG | CAM | H17 | 0.9° | 0.1° |
| CAG | CAM | CAL | H17 | 180.0° | 179.8° |
| CAM | CAG | NAA | CAE | 71.8° | 90.0° |
| CAM | CAG | NAA | CAB | 108.8° | 89.8° |
| CAG | CAM | CAL | H16 | 179.8° | 179.7° |
| CAE | CAH | CBG | H11 | 129.1° | 130.9° |
| CAH | CAE | NAA | NAD | 179.0° | 179.7° |
| CAH | CAE | NAA | CAB | 179.7° | 179.8° |
| CAE | CAH | CBG | CAN | 111.9° | 140.0° |
| CAH | CAE | NAD | NAC | 179.4° | 180.0° |
| CAE | CAH | CBH | H7 | 6.5° | 105.5° |
| CAE | CAH | CBH | H8 | 133.6° | 25.5° |
| CAE | CAH | CBG | H9 | 131.7° | 25.5° |
| CAE | CAH | CBG | H10 | 4.5° | 105.4° |
| CBG | CAH | CAE | NAA | 107.6° | 142.2° |
| CBG | CAH | CAE | NAD | 71.2° | 37.5° |
| CAH | CBG | CAN | NAU | 114.2° | 89.1° |
| CAH | CBG | CAN | H9 | 116.4° | 114.5° |
| CAH | CBG | CAN | H10 | 116.4° | 114.7° |
| CAH | CBG | CAN | H6 | 112.7° | 140.0° |
| CBG | CAH | CBH | H7 | 118.9° | 140.0° |
| CBG | CAH | CBH | H8 | 113.9° | 89.1° |
| CAH | CBG | H9 | H10 | 129.6° | 131.3° |
| CAM | CAL | CAK | H15 | 179.5° | 179.7° |
| C6 | C5 | C4 | H13 | 180.0° | 179.8° |
| C5 | C6 | N1 | H12 | 180.0° | 180.0° |
| C6 | C5 | C4 | CAB | 177.8° | 179.7° |
| C6 | C5 | C4 | N3 | 0.5° | 0.3° |
| C5 | C6 | N1 | C2 | 0.6° | 0.1° |
| C5 | C4 | CAB | NAA | 121.9° | 179.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.3° |
| C5 | C4 | CAB | N3 | 177.2° | 180.0° |
| C5 | C4 | CAB | NAC | 59.8° | 0.0° |
| C5 | C4 | N3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | H12 | 179.9° | 179.8° |
| CAE | NAA | CAB | C4 | 179.1° | 179.8° |
| CAE | NAA | CAB | NAC | 0.7° | 0.5° |
| NAA | CAE | NAD | NAC | 0.5° | 0.3° |
| NAA | CAE | CAH | H11 | 21.6° | 10.9° |
| CAB | NAA | CAE | NAD | 0.7° | 0.5° |
| NAA | CAB | C4 | NAC | 178.2° | 179.7° |
| NAA | CAB | NAC | NAD | 0.4° | 0.3° |
| NAA | CAB | C4 | N3 | 60.8° | 0.4° |
| NAX | CAY | NAU | OBD | 178.0° | 179.6° |
| NAX | CAY | NAU | CAN | 179.6° | 180.0° |
| CAE | NAD | NAC | CAB | 0.0° | 0.0° |
| NAD | CAE | CAH | H11 | 159.6° | 168.7° |
| CAY | NAU | CAN | CBG | 144.5° | 6.8° |
| NAU | CAY | NAX | H2 | 178.6° | 179.8° |
| CAY | NAU | CAN | H6 | 11.6° | 138.0° |
| CAN | NAU | CAY | OBD | 2.4° | 0.4° |
| NAU | CAN | CBG | H6 | 133.0° | 130.8° |
| NAU | CAN | CBH | H7 | 122.8° | 25.4° |
| NAU | CAN | CBH | H8 | 4.4° | 156.4° |
| NAU | CAN | CBG | H9 | 2.1° | 156.3° |
| NAU | CAN | CBG | H10 | 129.4° | 25.5° |
| C6 | N1 | C2 | N3 | 0.6° | 0.2° |
| C6 | N1 | C2 | H1 | 179.4° | 179.9° |
| N1 | C6 | C5 | H13 | 179.9° | 179.9° |
| OBD | CAY | NAX | H2 | 0.6° | 0.2° |
| C4 | CAB | NAC | NAD | 178.9° | 180.0° |
| CAB | C4 | N3 | C2 | 177.8° | 180.0° |
| CAB | C4 | C5 | H13 | 2.2° | 0.0° |
| NAC | CAB | C4 | N3 | 117.4° | 180.0° |
| CBG | CAN | CBH | H7 | 118.9° | 140.0° |
| CBG | CAN | CBH | H8 | 113.9° | 89.1° |
| CAN | CBG | H9 | H10 | 129.6° | 131.2° |
| CAN | CBG | CAH | H11 | 119.0° | 89.1° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| C4 | N3 | C2 | H1 | 180.0° | 180.0° |
| N3 | C4 | C5 | H13 | 179.5° | 179.9° |
| N1 | C2 | N3 | H1 | 180.0° | 179.7° |
| C2 | N1 | C6 | H12 | 179.4° | 180.0° |
| H4 | CBA | CAZ | H5 | 0.3° | 0.0° |
| H6 | CAN | CBH | H7 | 3.6° | 105.5° |
| H6 | CAN | CBH | H8 | 130.7° | 25.4° |
| H6 | CAN | CBG | H9 | 130.9° | 25.5° |
| H6 | CAN | CBG | H10 | 3.7° | 105.3° |
| H7 | CBH | CAH | H11 | 124.7° | 25.4° |
| H8 | CBH | CAH | H11 | 2.4° | 156.3° |
| H9 | CBG | CAH | H11 | 2.6° | 156.4° |
| H10 | CBG | CAH | H11 | 124.6° | 25.4° |
| H12 | C6 | C5 | H13 | 0.1° | 0.0° |
| H14 | CAJ | CAK | H15 | 0.4° | 0.0° |
| H15 | CAK | CAL | H16 | 0.5° | 0.1° |
| H16 | CAL | CAM | H17 | 0.2° | 0.1° |
