9N5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAK | trip | 1.17Å | 1.08Å | |
| CAK | CAB | sing | 1.43Å | 1.39Å | |
| CAB | CAC | doub | 1.41Å | 1.38Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | NAD | sing | 1.31Å | 1.38Å | Aromatic |
| CAA | CAF | doub | 1.41Å | 1.39Å | Aromatic |
| NAD | CAE | doub | 1.34Å | 1.33Å | Aromatic |
| CAF | CAE | sing | 1.42Å | 1.37Å | Aromatic |
| CAF | CAJ | sing | 1.41Å | 1.37Å | Aromatic |
| CAE | CAG | sing | 1.41Å | 1.39Å | Aromatic |
| CAJ | CAI | doub | 1.37Å | 1.40Å | Aromatic |
| CAG | CAH | doub | 1.36Å | 1.37Å | Aromatic |
| OAP | CAQ | sing | 1.43Å | 1.39Å | |
| OAP | CAN | sing | 1.43Å | 1.42Å | |
| CAI | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | OAM | sing | 1.36Å | 1.36Å | |
| CAN | OAM | sing | 1.43Å | 1.42Å | |
| CAN | CAO | sing | 1.51Å | 1.50Å | |
| OAR | CAO | doub | 1.21Å | 1.22Å | |
| CAO | NAS | sing | 1.35Å | 1.32Å | |
| NAS | CAT | sing | 1.46Å | 1.47Å | |
| CAZ | CAT | sing | 1.53Å | 1.52Å | |
| CAT | CAY | sing | 1.53Å | 1.52Å | |
| CAT | CAU | sing | 1.51Å | 1.52Å | |
| CAU | NAV | doub | 1.28Å | 1.33Å | |
| NAV | OAW | sing | 1.42Å | 1.29Å | |
| CAX | OAW | sing | 1.43Å | 1.42Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.05Å | 1.06Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAR | sing | 1.09Å | 1.10Å | |
| CAQ | HAS | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAX | HAY | sing | 1.09Å | 1.10Å | |
| CAX | HAZ | sing | 1.09Å | 1.10Å | |
| CAY | HA1 | sing | 1.09Å | 1.10Å | |
| CAY | HA2 | sing | 1.09Å | 1.10Å | |
| CAY | HA0 | sing | 1.09Å | 1.10Å | |
| CAZ | HA3 | sing | 1.09Å | 1.10Å | |
| CAZ | HA4 | sing | 1.09Å | 1.10Å | |
| CAZ | HA5 | sing | 1.09Å | 1.10Å | |
| NAS | HA6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAL | CAK | CAB | 179.5° | 180.0° |
| CAK | CAL | HAL | 180.0° | 180.0° |
| CAK | CAB | CAC | 117.6° | 120.2° |
| CAK | CAB | CAA | 123.4° | 120.2° |
| CAC | CAB | CAA | 119.1° | 119.5° |
| CAB | CAC | NAD | 120.1° | 121.5° |
| CAB | CAC | HAC | 119.9° | 119.3° |
| CAB | CAA | CAF | 118.5° | 117.9° |
| CAB | CAA | HAA | 120.7° | 121.0° |
| CAC | NAD | CAE | 121.4° | 121.7° |
| NAD | CAC | HAC | 119.9° | 119.2° |
| CAA | CAF | CAE | 121.4° | 119.2° |
| CAA | CAF | CAJ | 119.9° | 121.2° |
| CAF | CAA | HAA | 120.7° | 121.0° |
| NAD | CAE | CAF | 119.5° | 120.1° |
| NAD | CAE | CAG | 119.5° | 120.8° |
| CAE | CAF | CAJ | 118.7° | 119.6° |
| CAF | CAE | CAG | 121.0° | 119.1° |
| CAF | CAJ | CAI | 121.3° | 119.6° |
| CAF | CAJ | HAJ | 119.4° | 120.2° |
| CAE | CAG | CAH | 120.6° | 119.9° |
| CAE | CAG | HAG | 119.7° | 120.1° |
| CAJ | CAI | CAH | 119.4° | 120.7° |
| CAJ | CAI | OAM | 123.3° | 119.6° |
| CAI | CAJ | HAJ | 119.4° | 120.2° |
| CAG | CAH | CAI | 119.0° | 121.1° |
| CAH | CAG | HAG | 119.7° | 120.1° |
| CAG | CAH | HAH | 120.5° | 119.5° |
| CAQ | OAP | CAN | 118.4° | 113.9° |
| OAP | CAQ | HAQ | 109.5° | 109.5° |
| OAP | CAQ | HAR | 109.5° | 109.5° |
| OAP | CAQ | HAS | 109.4° | 109.4° |
| OAP | CAN | OAM | 100.1° | 109.5° |
| OAP | CAN | CAO | 113.3° | 109.4° |
| OAP | CAN | HAN | 112.0° | 109.5° |
| CAH | CAI | OAM | 117.2° | 119.7° |
| CAI | CAH | HAH | 120.5° | 119.5° |
| CAI | OAM | CAN | 122.5° | 117.0° |
| OAM | CAN | CAO | 108.4° | 109.5° |
| OAM | CAN | HAN | 111.9° | 109.5° |
| CAN | CAO | OAR | 120.3° | 120.0° |
| CAN | CAO | NAS | 112.5° | 120.0° |
| CAO | CAN | HAN | 110.7° | 109.5° |
| OAR | CAO | NAS | 127.1° | 120.0° |
| CAO | NAS | CAT | 121.1° | 120.0° |
| CAO | NAS | HA6 | 119.5° | 120.0° |
| NAS | CAT | CAZ | 113.1° | 109.5° |
| NAS | CAT | CAY | 112.4° | 109.5° |
| NAS | CAT | CAU | 105.5° | 109.4° |
| CAT | NAS | HA6 | 119.5° | 120.0° |
| CAZ | CAT | CAY | 109.9° | 109.5° |
| CAZ | CAT | CAU | 107.8° | 109.5° |
| CAT | CAZ | HA3 | 109.5° | 109.5° |
| CAT | CAZ | HA4 | 109.4° | 109.5° |
| CAT | CAZ | HA5 | 109.4° | 109.5° |
| CAY | CAT | CAU | 107.8° | 109.5° |
| CAT | CAY | HA1 | 109.5° | 109.5° |
| CAT | CAY | HA2 | 109.5° | 109.4° |
| CAT | CAY | HA0 | 109.5° | 109.5° |
| CAT | CAU | NAV | 118.1° | 120.0° |
| CAT | CAU | HAU | 121.0° | 120.0° |
| CAU | NAV | OAW | 119.0° | 120.0° |
| NAV | CAU | HAU | 120.9° | 120.0° |
| NAV | OAW | CAX | 107.5° | 114.0° |
| OAW | CAX | HAX | 109.5° | 109.5° |
| OAW | CAX | HAY | 109.4° | 109.5° |
| OAW | CAX | HAZ | 109.5° | 109.4° |
| HAQ | CAQ | HAR | 109.5° | 109.5° |
| HAQ | CAQ | HAS | 109.5° | 109.4° |
| HAR | CAQ | HAS | 109.5° | 109.5° |
| HAX | CAX | HAY | 109.5° | 109.5° |
| HAX | CAX | HAZ | 109.5° | 109.4° |
| HAY | CAX | HAZ | 109.4° | 109.5° |
| HA1 | CAY | HA2 | 109.5° | 109.5° |
| HA1 | CAY | HA0 | 109.5° | 109.5° |
| HA2 | CAY | HA0 | 109.5° | 109.4° |
| HA3 | CAZ | HA4 | 109.5° | 109.5° |
| HA3 | CAZ | HA5 | 109.5° | 109.4° |
| HA4 | CAZ | HA5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAL | CAK | CAB | CAC | 2.0° | 179.0° |
| CAL | CAK | CAB | CAA | 177.7° | 1.1° |
| CAK | CAB | CAC | CAA | 179.7° | 179.9° |
| CAK | CAB | CAC | NAD | 179.3° | 179.9° |
| CAK | CAB | CAA | CAF | 179.8° | 180.0° |
| CAK | CAB | CAA | HAA | 0.2° | 0.2° |
| CAK | CAB | CAC | HAC | 0.7° | 0.1° |
| CAB | CAK | CAL | HAL | 128.6° | 44.3° |
| CAB | CAC | NAD | HAC | 180.0° | 179.8° |
| CAC | CAB | CAA | CAF | 0.5° | 0.1° |
| CAB | CAC | NAD | CAE | 1.1° | 0.2° |
| CAC | CAB | CAA | HAA | 179.5° | 179.7° |
| CAA | CAB | CAC | NAD | 0.9° | 0.1° |
| CAB | CAA | CAF | HAA | 180.0° | 179.8° |
| CAB | CAA | CAF | CAE | 0.2° | 0.2° |
| CAB | CAA | CAF | CAJ | 179.5° | 179.7° |
| CAA | CAB | CAC | HAC | 179.1° | 180.0° |
| CAC | NAD | CAE | CAF | 0.7° | 0.5° |
| CAC | NAD | CAE | CAG | 179.4° | 180.0° |
| CAA | CAF | CAE | NAD | 0.3° | 0.5° |
| CAA | CAF | CAE | CAJ | 179.7° | 179.9° |
| CAA | CAF | CAE | CAG | 179.8° | 180.0° |
| CAA | CAF | CAJ | CAI | 179.3° | 180.0° |
| CAA | CAF | CAJ | HAJ | 0.7° | 0.0° |
| NAD | CAE | CAF | CAG | 179.9° | 179.5° |
| NAD | CAE | CAF | CAJ | 179.4° | 179.4° |
| NAD | CAE | CAG | CAH | 179.7° | 179.5° |
| CAE | NAD | CAC | HAC | 178.9° | 179.7° |
| NAD | CAE | CAG | HAG | 0.3° | 0.6° |
| CAE | CAF | CAJ | CAI | 1.0° | 0.0° |
| CAF | CAE | CAG | CAH | 0.2° | 0.0° |
| CAE | CAF | CAA | HAA | 179.8° | 180.0° |
| CAF | CAE | CAG | HAG | 179.8° | 180.0° |
| CAE | CAF | CAJ | HAJ | 179.0° | 180.0° |
| CAJ | CAF | CAE | CAG | 0.5° | 0.1° |
| CAF | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAF | CAJ | CAI | CAH | 1.1° | 0.0° |
| CAF | CAJ | CAI | OAM | 179.2° | 180.0° |
| CAJ | CAF | CAA | HAA | 0.5° | 0.1° |
| CAE | CAG | CAH | HAG | 180.0° | 180.0° |
| CAE | CAG | CAH | CAI | 0.3° | 0.1° |
| CAE | CAG | CAH | HAH | 179.7° | 180.0° |
| CAJ | CAI | CAH | CAG | 0.8° | 0.1° |
| CAJ | CAI | CAH | OAM | 178.1° | 180.0° |
| CAJ | CAI | OAM | CAN | 2.1° | 173.4° |
| CAJ | CAI | CAH | HAH | 179.2° | 179.9° |
| CAG | CAH | CAI | HAH | 180.0° | 180.0° |
| CAG | CAH | CAI | OAM | 178.9° | 180.0° |
| CAQ | OAP | CAN | OAM | 148.1° | 71.0° |
| CAQ | OAP | CAN | CAO | 32.9° | 169.0° |
| CAQ | OAP | CAN | HAN | 93.2° | 49.0° |
| OAP | CAQ | HAQ | HAR | 120.0° | 120.1° |
| OAP | CAQ | HAQ | HAS | 120.0° | 120.0° |
| OAP | CAQ | HAR | HAS | 120.0° | 120.0° |
| OAP | CAN | OAM | CAI | 96.8° | 88.3° |
| OAP | CAN | OAM | CAO | 118.9° | 119.9° |
| OAP | CAN | OAM | HAN | 118.7° | 120.0° |
| OAP | CAN | CAO | HAN | 126.7° | 120.0° |
| OAP | CAN | CAO | OAR | 63.1° | 150.0° |
| OAP | CAN | CAO | NAS | 118.3° | 30.0° |
| CAN | OAP | CAQ | HAQ | 180.0° | 63.1° |
| CAN | OAP | CAQ | HAR | 60.0° | 57.0° |
| CAN | OAP | CAQ | HAS | 60.0° | 177.0° |
| CAH | CAI | OAM | CAN | 179.8° | 6.6° |
| CAI | CAH | CAG | HAG | 179.6° | 180.0° |
| CAH | CAI | CAJ | HAJ | 178.9° | 180.0° |
| CAI | OAM | CAN | CAO | 144.4° | 151.7° |
| OAM | CAI | CAH | HAH | 1.1° | 0.0° |
| OAM | CAI | CAJ | HAJ | 0.8° | 0.0° |
| CAI | OAM | CAN | HAN | 22.0° | 31.7° |
| OAM | CAN | CAO | HAN | 123.1° | 120.1° |
| OAM | CAN | CAO | OAR | 173.3° | 30.0° |
| OAM | CAN | CAO | NAS | 8.2° | 150.0° |
| CAN | CAO | OAR | NAS | 178.3° | 180.0° |
| CAN | CAO | NAS | CAT | 179.4° | 180.0° |
| CAN | CAO | NAS | HA6 | 0.5° | 0.0° |
| OAR | CAO | NAS | CAT | 1.0° | 0.0° |
| OAR | CAO | CAN | HAN | 63.6° | 90.1° |
| OAR | CAO | NAS | HA6 | 179.0° | 180.0° |
| CAO | NAS | CAT | HA6 | 180.0° | 180.0° |
| CAO | NAS | CAT | CAZ | 58.9° | 60.0° |
| CAO | NAS | CAT | CAY | 66.2° | 60.0° |
| CAO | NAS | CAT | CAU | 176.6° | 180.0° |
| NAS | CAO | CAN | HAN | 114.9° | 90.0° |
| NAS | CAT | CAZ | CAY | 126.5° | 120.1° |
| NAS | CAT | CAZ | CAU | 116.3° | 119.9° |
| NAS | CAT | CAY | CAU | 115.9° | 119.9° |
| NAS | CAT | CAU | NAV | 40.7° | 120.0° |
| NAS | CAT | CAU | HAU | 139.3° | 60.0° |
| NAS | CAT | CAY | HA1 | 180.0° | 180.0° |
| NAS | CAT | CAY | HA2 | 60.0° | 60.0° |
| NAS | CAT | CAY | HA0 | 60.0° | 59.9° |
| NAS | CAT | CAZ | HA3 | 180.0° | 180.0° |
| NAS | CAT | CAZ | HA4 | 60.0° | 60.0° |
| NAS | CAT | CAZ | HA5 | 60.0° | 60.0° |
| CAZ | CAT | CAY | CAU | 117.2° | 120.0° |
| CAZ | CAT | CAU | NAV | 161.9° | 120.0° |
| CAZ | CAT | CAU | HAU | 18.1° | 60.0° |
| CAZ | CAT | CAY | HA1 | 53.1° | 60.0° |
| CAZ | CAT | CAY | HA2 | 66.9° | 60.1° |
| CAZ | CAT | CAY | HA0 | 173.1° | 180.0° |
| CAT | CAZ | HA3 | HA4 | 120.0° | 120.1° |
| CAT | CAZ | HA3 | HA5 | 120.0° | 120.0° |
| CAT | CAZ | HA4 | HA5 | 119.9° | 120.0° |
| CAZ | CAT | NAS | HA6 | 121.0° | 120.0° |
| CAY | CAT | CAU | NAV | 79.6° | 0.1° |
| CAY | CAT | CAU | HAU | 100.4° | 180.0° |
| CAT | CAY | HA1 | HA2 | 120.0° | 120.0° |
| CAT | CAY | HA1 | HA0 | 120.0° | 120.1° |
| CAT | CAY | HA2 | HA0 | 120.0° | 120.0° |
| CAY | CAT | CAZ | HA3 | 53.5° | 59.9° |
| CAY | CAT | CAZ | HA4 | 173.5° | 180.0° |
| CAY | CAT | CAZ | HA5 | 66.5° | 60.0° |
| CAY | CAT | NAS | HA6 | 113.8° | 119.9° |
| CAT | CAU | NAV | HAU | 180.0° | 179.9° |
| CAT | CAU | NAV | OAW | 179.8° | 180.0° |
| CAU | CAT | CAY | HA1 | 64.1° | 60.0° |
| CAU | CAT | CAY | HA2 | 175.9° | 180.0° |
| CAU | CAT | CAY | HA0 | 55.9° | 60.0° |
| CAU | CAT | CAZ | HA3 | 63.7° | 60.1° |
| CAU | CAT | CAZ | HA4 | 56.3° | 60.0° |
| CAU | CAT | CAZ | HA5 | 176.3° | 180.0° |
| CAU | CAT | NAS | HA6 | 3.4° | 0.0° |
| CAU | NAV | OAW | CAX | 154.1° | 179.9° |
| OAW | NAV | CAU | HAU | 0.1° | 0.1° |
| NAV | OAW | CAX | HAX | 180.0° | 60.0° |
| NAV | OAW | CAX | HAY | 60.0° | 180.0° |
| NAV | OAW | CAX | HAZ | 60.0° | 60.0° |
| OAW | CAX | HAX | HAY | 120.0° | 120.1° |
| OAW | CAX | HAX | HAZ | 120.0° | 120.0° |
| OAW | CAX | HAY | HAZ | 120.0° | 120.0° |
| HAG | CAG | CAH | HAH | 0.3° | 0.0° |
| HAQ | CAQ | HAR | HAS | 120.0° | 119.9° |
| HAX | CAX | HAY | HAZ | 120.0° | 119.9° |
| HA1 | CAY | HA2 | HA0 | 120.0° | 120.0° |
| HA3 | CAZ | HA4 | HA5 | 120.0° | 119.9° |
