37B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAF | PAD | sing | 1.61Å | 1.59Å | |
| CAQ | CAR | sing | 1.51Å | 1.57Å | |
| CAQ | CAO | sing | 1.53Å | 1.50Å | |
| CAE | PAD | sing | 1.82Å | 1.83Å | |
| CAE | CAO | sing | 1.53Å | 1.54Å | |
| CAW | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAW | CAR | sing | 1.38Å | 1.38Å | Aromatic |
| CAB | PAD | sing | 1.82Å | 1.79Å | |
| CAB | NAC | sing | 1.47Å | 1.48Å | |
| CAB | CAA | sing | 1.53Å | 1.50Å | |
| PAD | OAG | doub | 1.48Å | 1.47Å | |
| CAJ | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.43Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.41Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.38Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.51Å | 1.52Å | |
| CAH | CAA | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.51Å | 1.56Å | |
| CAI | CAN | doub | 1.38Å | 1.41Å | Aromatic |
| OAY | CAP | sing | 1.34Å | 1.39Å | |
| CAP | OAX | doub | 1.21Å | 1.42Å | |
| CAL | CAM | doub | 1.38Å | 1.43Å | Aromatic |
| CAU | CAT | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.43Å | Aromatic |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| OAY | HAY1 | sing | 0.97Å | 0.95Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| OAF | HAF1 | sing | 0.97Å | 0.95Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| NAC | HAC2 | sing | 1.01Å | 1.00Å | |
| NAC | HAC1 | sing | 1.01Å | 1.00Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.08Å | 1.08Å | |
| CAK | HAK1 | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.08Å | 1.08Å | |
| CAM | HAM1 | sing | 1.08Å | 1.08Å | |
| CAN | HAN1 | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.08Å | 1.08Å | |
| CAT | HAT1 | sing | 1.08Å | 1.08Å | |
| CAU | HAU1 | sing | 1.08Å | 1.08Å | |
| CAV | HAV1 | sing | 1.08Å | 1.08Å | |
| CAW | HAW1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAF | PAD | CAE | 115.7° | 109.5° |
| OAF | PAD | CAB | 101.7° | 109.5° |
| OAF | PAD | OAG | 108.7° | 109.5° |
| PAD | OAF | HAF1 | 109.5° | 114.0° |
| CAR | CAQ | CAO | 113.9° | 109.4° |
| CAQ | CAR | CAW | 118.4° | 120.0° |
| CAQ | CAR | CAS | 122.4° | 120.0° |
| CAR | CAQ | HAQ2 | 108.3° | 109.5° |
| CAR | CAQ | HAQ1 | 108.3° | 109.5° |
| CAQ | CAO | CAE | 107.5° | 109.5° |
| CAQ | CAO | CAP | 108.7° | 109.5° |
| CAQ | CAO | HAO1 | 108.3° | 109.5° |
| CAO | CAQ | HAQ2 | 108.4° | 109.4° |
| CAO | CAQ | HAQ1 | 108.4° | 109.5° |
| PAD | CAE | CAO | 110.1° | 109.5° |
| CAE | PAD | CAB | 109.3° | 109.5° |
| CAE | PAD | OAG | 111.4° | 109.5° |
| PAD | CAE | HAE1 | 109.3° | 109.5° |
| PAD | CAE | HAE2 | 109.3° | 109.5° |
| CAE | CAO | CAP | 116.3° | 109.4° |
| CAE | CAO | HAO1 | 107.8° | 109.5° |
| CAO | CAE | HAE1 | 109.3° | 109.5° |
| CAO | CAE | HAE2 | 109.3° | 109.4° |
| CAV | CAW | CAR | 120.7° | 120.0° |
| CAW | CAV | CAU | 120.1° | 120.0° |
| CAW | CAV | HAV1 | 120.0° | 120.0° |
| CAV | CAW | HAW1 | 119.7° | 120.0° |
| CAW | CAR | CAS | 119.1° | 120.0° |
| CAR | CAW | HAW1 | 119.6° | 120.0° |
| PAD | CAB | NAC | 105.7° | 109.5° |
| PAD | CAB | CAA | 111.8° | 109.5° |
| CAB | PAD | OAG | 109.5° | 109.5° |
| PAD | CAB | HAB1 | 105.8° | 109.5° |
| NAC | CAB | CAA | 114.9° | 109.5° |
| NAC | CAB | HAB1 | 109.3° | 109.4° |
| CAB | NAC | HAC2 | 109.5° | 111.0° |
| CAB | NAC | HAC1 | 109.4° | 111.0° |
| CAB | CAA | CAH | 113.2° | 109.5° |
| CAA | CAB | HAB1 | 109.0° | 109.4° |
| CAB | CAA | HAA2 | 108.5° | 109.5° |
| CAB | CAA | HAA1 | 108.5° | 109.5° |
| CAK | CAJ | CAI | 120.0° | 120.0° |
| CAJ | CAK | CAL | 119.4° | 120.0° |
| CAK | CAJ | HAJ1 | 120.0° | 120.0° |
| CAJ | CAK | HAK1 | 120.3° | 120.0° |
| CAJ | CAI | CAH | 120.4° | 119.9° |
| CAJ | CAI | CAN | 120.9° | 120.0° |
| CAI | CAJ | HAJ1 | 120.0° | 120.1° |
| CAK | CAL | CAM | 121.0° | 120.0° |
| CAL | CAK | HAK1 | 120.3° | 120.0° |
| CAK | CAL | HAL1 | 119.5° | 120.0° |
| CAV | CAU | CAT | 119.8° | 120.0° |
| CAV | CAU | HAU1 | 120.1° | 120.0° |
| CAU | CAV | HAV1 | 119.9° | 120.0° |
| CAR | CAS | CAT | 120.3° | 120.0° |
| CAR | CAS | HAS1 | 119.9° | 120.0° |
| CAO | CAP | OAY | 111.9° | 120.0° |
| CAO | CAP | OAX | 106.8° | 120.0° |
| CAP | CAO | HAO1 | 108.1° | 109.5° |
| CAA | CAH | CAI | 121.8° | 109.5° |
| CAH | CAA | HAA2 | 108.5° | 109.4° |
| CAH | CAA | HAA1 | 108.5° | 109.5° |
| CAA | CAH | HAH1 | 106.3° | 109.4° |
| CAA | CAH | HAH2 | 106.3° | 109.5° |
| CAH | CAI | CAN | 118.6° | 120.1° |
| CAI | CAH | HAH1 | 106.3° | 109.4° |
| CAI | CAH | HAH2 | 106.3° | 109.5° |
| CAI | CAN | CAM | 118.9° | 120.1° |
| CAI | CAN | HAN1 | 120.6° | 120.0° |
| OAY | CAP | OAX | 109.9° | 120.0° |
| CAP | OAY | HAY1 | 109.5° | 117.0° |
| CAL | CAM | CAN | 119.8° | 119.9° |
| CAM | CAL | HAL1 | 119.5° | 120.0° |
| CAL | CAM | HAM1 | 120.1° | 120.0° |
| CAU | CAT | CAS | 120.0° | 120.0° |
| CAU | CAT | HAT1 | 120.0° | 119.9° |
| CAT | CAU | HAU1 | 120.1° | 120.0° |
| CAT | CAS | HAS1 | 119.9° | 120.0° |
| CAS | CAT | HAT1 | 120.0° | 120.0° |
| CAN | CAM | HAM1 | 120.1° | 120.1° |
| CAM | CAN | HAN1 | 120.6° | 120.0° |
| HAE1 | CAE | HAE2 | 109.4° | 109.5° |
| HAC2 | NAC | HAC1 | 109.5° | 111.0° |
| HAA2 | CAA | HAA1 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.4° | 109.5° |
| HAQ2 | CAQ | HAQ1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAF | PAD | CAE | CAB | 114.0° | 120.0° |
| OAF | PAD | CAE | OAG | 124.9° | 120.0° |
| OAF | PAD | CAE | CAO | 102.6° | 65.0° |
| OAF | PAD | CAB | OAG | 114.9° | 120.0° |
| OAF | PAD | CAB | NAC | 57.3° | 60.0° |
| OAF | PAD | CAB | CAA | 177.1° | 60.0° |
| OAF | PAD | CAE | HAE1 | 17.6° | 175.0° |
| OAF | PAD | CAE | HAE2 | 137.4° | 55.0° |
| OAF | PAD | CAB | HAB1 | 58.6° | 180.0° |
| CAR | CAQ | CAO | HAQ2 | 120.7° | 120.0° |
| CAR | CAQ | CAO | HAQ1 | 120.6° | 120.0° |
| CAR | CAQ | CAO | CAE | 163.0° | 175.0° |
| CAQ | CAR | CAW | CAV | 179.8° | 179.7° |
| CAQ | CAR | CAW | CAS | 179.2° | 179.6° |
| CAR | CAQ | CAO | CAP | 70.4° | 65.0° |
| CAQ | CAR | CAS | CAT | 179.9° | 179.9° |
| CAR | CAQ | CAO | HAO1 | 46.8° | 55.0° |
| CAR | CAQ | HAQ2 | HAQ1 | 118.0° | 120.0° |
| CAQ | CAR | CAS | HAS1 | 0.1° | 0.1° |
| CAQ | CAR | CAW | HAW1 | 0.2° | 0.3° |
| CAQ | CAO | CAE | PAD | 92.2° | 165.0° |
| CAQ | CAO | CAE | CAP | 122.1° | 120.0° |
| CAQ | CAO | CAE | HAO1 | 116.5° | 120.0° |
| CAO | CAQ | CAR | CAW | 166.2° | 90.3° |
| CAO | CAQ | CAR | CAS | 14.5° | 90.0° |
| CAQ | CAO | CAP | HAO1 | 117.3° | 120.0° |
| CAQ | CAO | CAP | OAY | 130.9° | 60.0° |
| CAQ | CAO | CAP | OAX | 108.7° | 120.0° |
| CAQ | CAO | CAE | HAE1 | 28.0° | 75.0° |
| CAQ | CAO | CAE | HAE2 | 147.7° | 45.0° |
| CAO | CAQ | HAQ2 | HAQ1 | 118.0° | 120.0° |
| PAD | CAE | CAO | HAE1 | 120.1° | 120.0° |
| PAD | CAE | CAO | HAE2 | 120.1° | 120.0° |
| CAE | PAD | CAB | OAG | 122.2° | 120.0° |
| CAE | PAD | CAB | NAC | 179.9° | 60.0° |
| CAE | PAD | CAB | CAA | 54.2° | 180.0° |
| PAD | CAE | CAO | CAP | 145.8° | 75.0° |
| PAD | CAE | CAO | HAO1 | 24.4° | 45.0° |
| PAD | CAE | HAE1 | HAE2 | 119.7° | 120.0° |
| CAE | PAD | OAF | HAF1 | 126.2° | 60.0° |
| CAE | PAD | CAB | HAB1 | 64.3° | 60.0° |
| CAO | CAE | PAD | CAB | 143.4° | 175.0° |
| CAO | CAE | PAD | OAG | 22.3° | 55.0° |
| CAE | CAO | CAP | HAO1 | 121.3° | 120.0° |
| CAE | CAO | CAP | OAY | 9.4° | 180.0° |
| CAE | CAO | CAP | OAX | 129.8° | 0.0° |
| CAO | CAE | HAE1 | HAE2 | 119.7° | 120.0° |
| CAE | CAO | CAQ | HAQ2 | 76.4° | 55.0° |
| CAE | CAO | CAQ | HAQ1 | 42.3° | 65.0° |
| CAV | CAW | CAR | HAW1 | 180.0° | 179.4° |
| CAW | CAV | CAU | HAV1 | 180.0° | 179.7° |
| CAV | CAW | CAR | CAS | 0.9° | 0.6° |
| CAW | CAV | CAU | CAT | 0.5° | 0.3° |
| CAW | CAV | CAU | HAU1 | 179.5° | 179.7° |
| CAR | CAW | CAV | CAU | 0.9° | 0.6° |
| CAW | CAR | CAS | CAT | 0.7° | 0.3° |
| CAW | CAR | CAQ | HAQ2 | 45.6° | 149.7° |
| CAW | CAR | CAQ | HAQ1 | 73.1° | 29.7° |
| CAW | CAR | CAS | HAS1 | 179.3° | 179.8° |
| CAR | CAW | CAV | HAV1 | 179.1° | 179.7° |
| PAD | CAB | NAC | CAA | 123.7° | 120.0° |
| PAD | CAB | NAC | HAB1 | 113.5° | 120.1° |
| PAD | CAB | CAA | HAB1 | 116.6° | 120.1° |
| PAD | CAB | CAA | CAH | 177.5° | 60.0° |
| CAB | PAD | CAE | HAE1 | 96.5° | 55.0° |
| CAB | PAD | CAE | HAE2 | 23.3° | 65.0° |
| CAB | PAD | OAF | HAF1 | 115.5° | 60.0° |
| PAD | CAB | NAC | HAC2 | 180.0° | 64.0° |
| PAD | CAB | NAC | HAC1 | 60.0° | 60.0° |
| PAD | CAB | CAA | HAA2 | 62.0° | 180.0° |
| PAD | CAB | CAA | HAA1 | 56.9° | 60.0° |
| NAC | CAB | CAA | HAB1 | 123.0° | 119.9° |
| NAC | CAB | PAD | OAG | 57.7° | 180.0° |
| NAC | CAB | CAA | CAH | 62.1° | 180.0° |
| CAB | NAC | HAC2 | HAC1 | 120.0° | 123.9° |
| NAC | CAB | CAA | HAA2 | 58.5° | 60.0° |
| NAC | CAB | CAA | HAA1 | 177.4° | 60.0° |
| CAA | CAB | PAD | OAG | 68.0° | 60.0° |
| CAB | CAA | CAH | HAA2 | 120.6° | 120.0° |
| CAB | CAA | CAH | HAA1 | 120.5° | 120.0° |
| CAB | CAA | CAH | CAI | 137.4° | 179.9° |
| CAA | CAB | NAC | HAC2 | 56.3° | 176.0° |
| CAA | CAB | NAC | HAC1 | 176.3° | 60.0° |
| CAB | CAA | HAA2 | HAA1 | 118.3° | 120.0° |
| CAB | CAA | CAH | HAH1 | 15.7° | 60.0° |
| CAB | CAA | CAH | HAH2 | 100.9° | 60.0° |
| OAG | PAD | CAE | HAE1 | 142.4° | 65.0° |
| OAG | PAD | CAE | HAE2 | 97.8° | 175.0° |
| OAG | PAD | OAF | HAF1 | 0.0° | 180.0° |
| OAG | PAD | CAB | HAB1 | 173.5° | 60.0° |
| CAK | CAJ | CAI | HAJ1 | 180.0° | 180.0° |
| CAJ | CAK | CAL | HAK1 | 180.0° | 180.0° |
| CAK | CAJ | CAI | CAH | 179.3° | 180.0° |
| CAK | CAJ | CAI | CAN | 1.0° | 0.2° |
| CAJ | CAK | CAL | CAM | 0.2° | 0.0° |
| CAJ | CAK | CAL | HAL1 | 179.8° | 179.9° |
| CAI | CAJ | CAK | CAL | 0.5° | 0.0° |
| CAJ | CAI | CAH | CAA | 62.9° | 89.8° |
| CAJ | CAI | CAH | CAN | 178.3° | 179.7° |
| CAJ | CAI | CAN | CAM | 0.7° | 0.4° |
| CAJ | CAI | CAH | HAH1 | 58.8° | 150.3° |
| CAJ | CAI | CAH | HAH2 | 175.3° | 30.3° |
| CAI | CAJ | CAK | HAK1 | 179.5° | 180.0° |
| CAJ | CAI | CAN | HAN1 | 179.2° | 179.7° |
| CAK | CAL | CAM | HAL1 | 180.0° | 179.9° |
| CAK | CAL | CAM | CAN | 0.4° | 0.2° |
| CAL | CAK | CAJ | HAJ1 | 179.5° | 180.0° |
| CAK | CAL | CAM | HAM1 | 179.6° | 180.0° |
| CAV | CAU | CAT | HAU1 | 180.0° | 180.0° |
| CAV | CAU | CAT | CAS | 0.3° | 0.0° |
| CAV | CAU | CAT | HAT1 | 179.7° | 179.9° |
| CAU | CAV | CAW | HAW1 | 179.1° | 179.9° |
| CAR | CAS | CAT | CAU | 0.4° | 0.0° |
| CAR | CAS | CAT | HAS1 | 180.0° | 179.9° |
| CAS | CAR | CAQ | HAQ2 | 135.2° | 29.9° |
| CAS | CAR | CAQ | HAQ1 | 106.1° | 150.0° |
| CAR | CAS | CAT | HAT1 | 179.6° | 179.9° |
| CAS | CAR | CAW | HAW1 | 179.0° | 179.9° |
| CAO | CAP | OAY | OAX | 118.6° | 180.0° |
| CAO | CAP | OAY | HAY1 | 118.6° | 180.0° |
| CAP | CAO | CAE | HAE1 | 94.1° | 45.0° |
| CAP | CAO | CAE | HAE2 | 25.7° | 165.0° |
| CAP | CAO | CAQ | HAQ2 | 50.3° | 175.0° |
| CAP | CAO | CAQ | HAQ1 | 169.0° | 54.9° |
| CAA | CAH | CAI | HAH1 | 121.7° | 119.9° |
| CAA | CAH | CAI | HAH2 | 121.7° | 120.1° |
| CAA | CAH | CAI | CAN | 118.7° | 90.0° |
| CAH | CAA | CAB | HAB1 | 60.9° | 60.0° |
| CAH | CAA | HAA2 | HAA1 | 118.3° | 120.0° |
| CAA | CAH | HAH1 | HAH2 | 114.5° | 120.0° |
| CAH | CAI | CAN | CAM | 179.0° | 179.8° |
| CAI | CAH | CAA | HAA2 | 102.1° | 60.1° |
| CAI | CAH | CAA | HAA1 | 16.9° | 59.9° |
| CAI | CAH | HAH1 | HAH2 | 114.4° | 120.0° |
| CAH | CAI | CAJ | HAJ1 | 0.8° | 0.0° |
| CAH | CAI | CAN | HAN1 | 0.9° | 0.0° |
| CAI | CAN | CAM | CAL | 0.0° | 0.4° |
| CAI | CAN | CAM | HAN1 | 180.0° | 179.8° |
| CAN | CAI | CAH | HAH1 | 119.6° | 30.0° |
| CAN | CAI | CAH | HAH2 | 3.0° | 150.0° |
| CAN | CAI | CAJ | HAJ1 | 179.0° | 179.7° |
| CAI | CAN | CAM | HAM1 | 180.0° | 179.7° |
| OAY | CAP | CAO | HAO1 | 111.8° | 60.0° |
| OAX | CAP | CAO | HAO1 | 8.6° | 120.0° |
| OAX | CAP | OAY | HAY1 | 0.0° | 0.0° |
| CAL | CAM | CAN | HAM1 | 180.0° | 179.8° |
| CAM | CAL | CAK | HAK1 | 179.8° | 180.0° |
| CAL | CAM | CAN | HAN1 | 179.9° | 179.7° |
| CAU | CAT | CAS | HAT1 | 180.0° | 179.9° |
| CAU | CAT | CAS | HAS1 | 179.6° | 179.9° |
| CAT | CAU | CAV | HAV1 | 179.5° | 180.0° |
| CAS | CAT | CAU | HAU1 | 179.7° | 180.0° |
| CAN | CAM | CAL | HAL1 | 179.6° | 179.9° |
| HAO1 | CAO | CAE | HAE1 | 144.5° | 165.0° |
| HAO1 | CAO | CAE | HAE2 | 95.8° | 75.0° |
| HAO1 | CAO | CAQ | HAQ2 | 167.5° | 65.0° |
| HAO1 | CAO | CAQ | HAQ1 | 73.8° | 175.0° |
| HAB1 | CAB | NAC | HAC2 | 66.5° | 56.1° |
| HAB1 | CAB | NAC | HAC1 | 53.5° | 180.0° |
| HAB1 | CAB | CAA | HAA2 | 178.5° | 59.9° |
| HAB1 | CAB | CAA | HAA1 | 59.6° | 179.9° |
| HAA2 | CAA | CAH | HAH1 | 136.2° | 180.0° |
| HAA2 | CAA | CAH | HAH2 | 19.7° | 60.0° |
| HAA1 | CAA | CAH | HAH1 | 104.8° | 60.0° |
| HAA1 | CAA | CAH | HAH2 | 138.6° | 180.0° |
| HAJ1 | CAJ | CAK | HAK1 | 0.5° | 0.1° |
| HAK1 | CAK | CAL | HAL1 | 0.2° | 0.1° |
| HAL1 | CAL | CAM | HAM1 | 0.5° | 0.1° |
| HAM1 | CAM | CAN | HAN1 | 0.1° | 0.1° |
| HAS1 | CAS | CAT | HAT1 | 0.4° | 0.0° |
| HAT1 | CAT | CAU | HAU1 | 0.3° | 0.1° |
| HAU1 | CAU | CAV | HAV1 | 0.5° | 0.0° |
| HAV1 | CAV | CAW | HAW1 | 0.9° | 0.3° |
