4A7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAR | doub | 1.21Å | 1.31Å | |
| CAC | NAY | sing | 1.46Å | 1.33Å | |
| CAR | NAY | sing | 1.35Å | 1.39Å | |
| CAR | CAM | sing | 1.50Å | 1.48Å | |
| NAY | CAW | sing | 1.40Å | 1.46Å | |
| CAM | CAN | sing | 1.53Å | 1.49Å | |
| CAW | CAI | doub | 1.39Å | 1.38Å | Aromatic |
| CAW | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.42Å | Aromatic |
| CAN | CAU | sing | 1.51Å | 1.52Å | |
| CAU | CAK | doub | 1.38Å | 1.32Å | Aromatic |
| CAG | CAS | doub | 1.39Å | 1.35Å | Aromatic |
| CAK | CAS | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | NAO | sing | 1.40Å | 1.42Å | |
| CAB | OAQ | sing | 1.43Å | 1.38Å | |
| OAP | CAT | sing | 1.36Å | 1.41Å | |
| OAP | CAA | sing | 1.43Å | 1.41Å | |
| CAL | CAT | doub | 1.39Å | 1.37Å | Aromatic |
| CAL | CAV | sing | 1.39Å | 1.49Å | Aromatic |
| OAQ | CAV | sing | 1.36Å | 1.48Å | |
| CAT | CAH | sing | 1.39Å | 1.41Å | Aromatic |
| CAV | CAX | doub | 1.39Å | 1.36Å | Aromatic |
| NAO | SAZ | sing | 1.66Å | 1.68Å | |
| CAH | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAX | CAJ | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | SAZ | sing | 1.76Å | 1.75Å | |
| OAF | SAZ | doub | 1.42Å | 1.53Å | |
| SAZ | OAE | doub | 1.42Å | 1.52Å | |
| NAO | H1 | sing | 0.97Å | 1.00Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| CAN | H3 | sing | 1.09Å | 1.10Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.09Å | 1.10Å | |
| CAB | H13 | sing | 1.09Å | 1.10Å | |
| CAB | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.08Å | 1.08Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAH | H19 | sing | 1.08Å | 1.08Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAR | NAY | 119.2° | 119.6° |
| OAD | CAR | CAM | 113.9° | 119.6° |
| CAC | NAY | CAR | 117.9° | 119.8° |
| CAC | NAY | CAW | 121.3° | 119.8° |
| NAY | CAC | H7 | 109.5° | 109.5° |
| NAY | CAC | H8 | 109.5° | 109.5° |
| NAY | CAC | H9 | 109.5° | 109.5° |
| NAY | CAR | CAM | 118.6° | 120.8° |
| CAR | NAY | CAW | 118.8° | 120.4° |
| CAR | CAM | CAN | 114.3° | 109.9° |
| CAR | CAM | H5 | 108.2° | 109.4° |
| CAR | CAM | H6 | 108.2° | 109.3° |
| NAY | CAW | CAI | 123.2° | 120.1° |
| NAY | CAW | CAU | 116.7° | 119.9° |
| CAM | CAN | CAU | 110.3° | 109.5° |
| CAM | CAN | H3 | 109.3° | 109.5° |
| CAM | CAN | H4 | 109.3° | 109.4° |
| CAN | CAM | H5 | 108.3° | 109.3° |
| CAN | CAM | H6 | 108.3° | 109.4° |
| CAI | CAW | CAU | 120.1° | 120.0° |
| CAW | CAI | CAG | 118.8° | 120.0° |
| CAW | CAI | H10 | 120.6° | 120.0° |
| CAW | CAU | CAN | 119.4° | 119.8° |
| CAW | CAU | CAK | 121.6° | 120.1° |
| CAI | CAG | CAS | 117.3° | 120.0° |
| CAG | CAI | H10 | 120.6° | 119.9° |
| CAI | CAG | H11 | 121.3° | 120.1° |
| CAN | CAU | CAK | 119.0° | 120.1° |
| CAU | CAN | H3 | 109.3° | 109.5° |
| CAU | CAN | H4 | 109.3° | 109.5° |
| CAU | CAK | CAS | 118.5° | 119.9° |
| CAU | CAK | H2 | 120.8° | 120.0° |
| CAG | CAS | CAK | 123.5° | 120.0° |
| CAG | CAS | NAO | 125.8° | 120.0° |
| CAS | CAG | H11 | 121.4° | 120.0° |
| CAK | CAS | NAO | 110.4° | 120.0° |
| CAS | CAK | H2 | 120.8° | 120.0° |
| CAS | NAO | SAZ | 139.9° | 120.1° |
| CAS | NAO | H1 | 101.4° | 120.0° |
| CAB | OAQ | CAV | 112.1° | 117.0° |
| OAQ | CAB | H12 | 109.5° | 109.5° |
| OAQ | CAB | H13 | 109.5° | 109.5° |
| OAQ | CAB | H14 | 109.4° | 109.4° |
| CAT | OAP | CAA | 129.2° | 117.0° |
| OAP | CAT | CAL | 122.3° | 120.0° |
| OAP | CAT | CAH | 118.7° | 120.0° |
| OAP | CAA | H16 | 109.5° | 109.5° |
| OAP | CAA | H17 | 109.5° | 109.4° |
| OAP | CAA | H18 | 109.5° | 109.5° |
| CAT | CAL | CAV | 119.5° | 119.9° |
| CAL | CAT | CAH | 118.9° | 120.0° |
| CAT | CAL | H15 | 120.3° | 120.1° |
| CAL | CAV | OAQ | 125.8° | 120.1° |
| CAL | CAV | CAX | 119.2° | 119.9° |
| CAV | CAL | H15 | 120.3° | 120.0° |
| OAQ | CAV | CAX | 115.0° | 120.0° |
| CAT | CAH | CAJ | 121.5° | 120.0° |
| CAT | CAH | H19 | 119.3° | 120.0° |
| CAV | CAX | CAJ | 121.4° | 120.1° |
| CAV | CAX | SAZ | 117.0° | 120.0° |
| NAO | SAZ | CAX | 79.8° | 107.2° |
| NAO | SAZ | OAF | 112.6° | 106.5° |
| NAO | SAZ | OAE | 118.6° | 106.4° |
| SAZ | NAO | H1 | 101.4° | 120.0° |
| CAH | CAJ | CAX | 119.4° | 120.1° |
| CAJ | CAH | H19 | 119.3° | 120.0° |
| CAH | CAJ | H20 | 120.3° | 119.9° |
| CAJ | CAX | SAZ | 121.4° | 120.0° |
| CAX | CAJ | H20 | 120.3° | 119.9° |
| CAX | SAZ | OAF | 111.1° | 106.4° |
| CAX | SAZ | OAE | 119.4° | 106.4° |
| OAF | SAZ | OAE | 111.7° | 123.2° |
| H3 | CAN | H4 | 109.5° | 109.4° |
| H5 | CAM | H6 | 109.5° | 109.4° |
| H7 | CAC | H8 | 109.5° | 109.4° |
| H7 | CAC | H9 | 109.4° | 109.5° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H12 | CAB | H13 | 109.4° | 109.5° |
| H12 | CAB | H14 | 109.5° | 109.4° |
| H13 | CAB | H14 | 109.5° | 109.5° |
| H16 | CAA | H17 | 109.4° | 109.4° |
| H16 | CAA | H18 | 109.5° | 109.5° |
| H17 | CAA | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAR | NAY | CAC | 25.6° | 0.9° |
| OAD | CAR | NAY | CAM | 146.2° | 179.9° |
| OAD | CAR | NAY | CAW | 170.4° | 179.2° |
| OAD | CAR | CAM | CAN | 131.7° | 144.7° |
| OAD | CAR | CAM | H5 | 11.0° | 24.6° |
| OAD | CAR | CAM | H6 | 107.6° | 95.2° |
| CAC | NAY | CAR | CAW | 164.1° | 180.0° |
| CAC | NAY | CAR | CAM | 171.8° | 179.2° |
| CAC | NAY | CAW | CAI | 15.2° | 18.4° |
| CAC | NAY | CAW | CAU | 164.0° | 161.4° |
| NAY | CAC | H7 | H8 | 120.0° | 120.0° |
| NAY | CAC | H7 | H9 | 120.0° | 120.0° |
| NAY | CAC | H8 | H9 | 120.0° | 120.1° |
| NAY | CAR | CAM | CAN | 16.2° | 35.2° |
| CAR | NAY | CAW | CAI | 148.3° | 161.5° |
| CAR | NAY | CAW | CAU | 32.4° | 18.6° |
| NAY | CAR | CAM | H5 | 136.9° | 155.3° |
| NAY | CAR | CAM | H6 | 104.5° | 84.9° |
| CAR | NAY | CAC | H7 | 180.0° | 0.0° |
| CAR | NAY | CAC | H8 | 60.0° | 120.0° |
| CAR | NAY | CAC | H9 | 60.0° | 120.0° |
| CAM | CAR | NAY | CAW | 24.1° | 0.7° |
| CAR | CAM | CAN | H5 | 120.7° | 120.1° |
| CAR | CAM | CAN | H6 | 120.7° | 120.1° |
| CAR | CAM | CAN | CAU | 45.4° | 48.7° |
| CAR | CAM | CAN | H3 | 74.7° | 71.3° |
| CAR | CAM | CAN | H4 | 165.5° | 168.7° |
| CAR | CAM | H5 | H6 | 117.8° | 119.8° |
| NAY | CAW | CAI | CAU | 179.3° | 179.9° |
| NAY | CAW | CAI | CAG | 179.8° | 179.7° |
| NAY | CAW | CAU | CAN | 0.6° | 0.0° |
| NAY | CAW | CAU | CAK | 179.1° | 180.0° |
| CAW | NAY | CAC | H7 | 16.4° | 180.0° |
| CAW | NAY | CAC | H8 | 103.6° | 60.0° |
| CAW | NAY | CAC | H9 | 136.3° | 60.0° |
| NAY | CAW | CAI | H10 | 0.2° | 0.1° |
| CAM | CAN | CAU | CAW | 38.5° | 34.0° |
| CAM | CAN | CAU | H3 | 120.1° | 120.0° |
| CAM | CAN | CAU | H4 | 120.1° | 120.0° |
| CAM | CAN | CAU | CAK | 142.9° | 146.0° |
| CAM | CAN | H3 | H4 | 119.6° | 120.0° |
| CAN | CAM | H5 | H6 | 117.8° | 119.8° |
| CAW | CAI | CAG | H10 | 180.0° | 179.6° |
| CAI | CAW | CAU | CAN | 178.7° | 179.9° |
| CAI | CAW | CAU | CAK | 0.2° | 0.1° |
| CAW | CAI | CAG | CAS | 0.5° | 0.7° |
| CAW | CAI | CAG | H11 | 179.5° | 180.0° |
| CAU | CAW | CAI | CAG | 1.0° | 0.5° |
| CAW | CAU | CAN | CAK | 178.5° | 180.0° |
| CAW | CAU | CAK | CAS | 2.8° | 0.0° |
| CAW | CAU | CAK | H2 | 177.2° | 180.0° |
| CAW | CAU | CAN | H3 | 81.6° | 86.0° |
| CAW | CAU | CAN | H4 | 158.7° | 154.0° |
| CAU | CAW | CAI | H10 | 179.0° | 179.9° |
| CAI | CAG | CAS | H11 | 180.0° | 179.4° |
| CAI | CAG | CAS | CAK | 3.3° | 0.6° |
| CAI | CAG | CAS | NAO | 177.7° | 179.7° |
| CAN | CAU | CAK | CAS | 178.7° | 180.0° |
| CAN | CAU | CAK | H2 | 1.2° | 0.1° |
| CAU | CAN | H3 | H4 | 119.6° | 120.0° |
| CAU | CAN | CAM | H5 | 166.1° | 168.8° |
| CAU | CAN | CAM | H6 | 75.3° | 71.4° |
| CAU | CAK | CAS | CAG | 4.5° | 0.3° |
| CAU | CAK | CAS | H2 | 180.0° | 179.9° |
| CAU | CAK | CAS | NAO | 179.6° | 180.0° |
| CAK | CAU | CAN | H3 | 96.9° | 94.0° |
| CAK | CAU | CAN | H4 | 22.8° | 26.0° |
| CAG | CAS | CAK | NAO | 175.2° | 179.8° |
| CAG | CAS | NAO | SAZ | 86.3° | 46.0° |
| CAG | CAS | NAO | H1 | 150.1° | 133.8° |
| CAG | CAS | CAK | H2 | 175.6° | 179.8° |
| CAS | CAG | CAI | H10 | 179.5° | 179.7° |
| CAK | CAS | NAO | SAZ | 88.7° | 134.3° |
| CAK | CAS | NAO | H1 | 34.9° | 46.0° |
| CAK | CAS | CAG | H11 | 176.7° | 179.9° |
| CAS | NAO | SAZ | H1 | 123.6° | 179.7° |
| CAS | NAO | SAZ | CAX | 83.2° | 63.3° |
| CAS | NAO | SAZ | OAF | 25.6° | 176.9° |
| CAS | NAO | SAZ | OAE | 158.7° | 50.2° |
| NAO | CAS | CAK | H2 | 0.4° | 0.1° |
| NAO | CAS | CAG | H11 | 2.3° | 0.3° |
| CAB | OAQ | CAV | CAL | 3.1° | 5.3° |
| CAB | OAQ | CAV | CAX | 177.6° | 174.4° |
| OAQ | CAB | H12 | H13 | 120.0° | 120.1° |
| OAQ | CAB | H12 | H14 | 120.0° | 119.9° |
| OAQ | CAB | H13 | H14 | 120.0° | 120.0° |
| OAP | CAT | CAL | CAH | 175.9° | 179.9° |
| OAP | CAT | CAL | CAV | 177.5° | 180.0° |
| OAP | CAT | CAH | CAJ | 177.9° | 180.0° |
| OAP | CAT | CAL | H15 | 2.5° | 0.1° |
| CAT | OAP | CAA | H16 | 180.0° | 59.9° |
| CAT | OAP | CAA | H17 | 60.0° | 60.0° |
| CAT | OAP | CAA | H18 | 60.0° | 180.0° |
| OAP | CAT | CAH | H19 | 2.1° | 0.1° |
| CAA | OAP | CAT | CAL | 120.4° | 180.0° |
| CAA | OAP | CAT | CAH | 63.7° | 0.0° |
| OAP | CAA | H16 | H17 | 120.0° | 120.0° |
| OAP | CAA | H16 | H18 | 120.0° | 120.0° |
| OAP | CAA | H17 | H18 | 120.0° | 120.0° |
| CAT | CAL | CAV | H15 | 180.0° | 180.0° |
| CAT | CAL | CAV | OAQ | 179.8° | 180.0° |
| CAT | CAL | CAV | CAX | 0.9° | 0.3° |
| CAL | CAT | CAH | CAJ | 1.8° | 0.0° |
| CAL | CAT | CAH | H19 | 178.2° | 180.0° |
| CAL | CAV | OAQ | CAX | 179.3° | 179.7° |
| CAV | CAL | CAT | CAH | 1.6° | 0.0° |
| CAL | CAV | CAX | CAJ | 3.3° | 0.5° |
| CAL | CAV | CAX | SAZ | 178.3° | 179.7° |
| OAQ | CAV | CAX | CAJ | 177.3° | 179.7° |
| OAQ | CAV | CAX | SAZ | 2.3° | 0.0° |
| CAV | OAQ | CAB | H12 | 180.0° | 55.2° |
| CAV | OAQ | CAB | H13 | 60.0° | 64.9° |
| CAV | OAQ | CAB | H14 | 60.0° | 175.2° |
| OAQ | CAV | CAL | H15 | 0.2° | 0.0° |
| CAT | CAH | CAJ | H19 | 180.0° | 180.0° |
| CAT | CAH | CAJ | CAX | 0.5° | 0.3° |
| CAH | CAT | CAL | H15 | 178.4° | 180.0° |
| CAT | CAH | CAJ | H20 | 179.5° | 180.0° |
| CAV | CAX | SAZ | NAO | 106.6° | 63.9° |
| CAV | CAX | CAJ | CAH | 3.1° | 0.6° |
| CAV | CAX | CAJ | SAZ | 174.8° | 179.7° |
| CAV | CAX | SAZ | OAF | 3.8° | 49.7° |
| CAV | CAX | SAZ | OAE | 136.2° | 177.3° |
| CAX | CAV | CAL | H15 | 179.1° | 179.8° |
| CAV | CAX | CAJ | H20 | 176.8° | 179.7° |
| NAO | SAZ | CAX | CAJ | 68.4° | 116.4° |
| NAO | SAZ | CAX | OAF | 110.4° | 113.6° |
| NAO | SAZ | CAX | OAE | 117.2° | 113.5° |
| NAO | SAZ | OAF | OAE | 136.4° | 122.9° |
| CAH | CAJ | CAX | H20 | 180.0° | 179.7° |
| CAH | CAJ | CAX | SAZ | 177.9° | 179.7° |
| CAJ | CAX | SAZ | OAF | 178.8° | 130.0° |
| CAJ | CAX | SAZ | OAE | 48.8° | 2.9° |
| CAX | CAJ | CAH | H19 | 179.5° | 179.7° |
| CAX | SAZ | OAF | OAE | 136.1° | 122.9° |
| CAX | SAZ | NAO | H1 | 153.2° | 116.9° |
| SAZ | CAX | CAJ | H20 | 2.1° | 0.0° |
| OAF | SAZ | NAO | H1 | 98.1° | 3.3° |
| OAE | SAZ | NAO | H1 | 35.1° | 129.6° |
| H3 | CAN | CAM | H5 | 46.0° | 48.8° |
| H3 | CAN | CAM | H6 | 164.6° | 168.6° |
| H4 | CAN | CAM | H5 | 73.8° | 71.2° |
| H4 | CAN | CAM | H6 | 44.8° | 48.6° |
| H7 | CAC | H8 | H9 | 120.0° | 119.9° |
| H10 | CAI | CAG | H11 | 0.5° | 0.4° |
| H12 | CAB | H13 | H14 | 120.0° | 120.0° |
| H16 | CAA | H17 | H18 | 120.0° | 120.1° |
| H19 | CAH | CAJ | H20 | 0.5° | 0.0° |
