620
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAT | CAS | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.53Å | |
| CAP | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAJ | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | OAH | sing | 1.43Å | 1.35Å | |
| OAH | CAJ | sing | 1.36Å | 1.37Å | |
| CAO | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAQ | CAL | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAI | sing | 1.51Å | 1.55Å | |
| CAI | NAF | sing | 1.47Å | 1.46Å | |
| NAF | NAA | sing | 1.37Å | 1.21Å | |
| NAG | CAB | sing | 1.38Å | 1.35Å | |
| NAA | CAB | sing | 1.35Å | 1.30Å | Aromatic |
| NAA | NAC | sing | 1.41Å | 1.23Å | Aromatic |
| CAB | NAD | doub | 1.31Å | 1.31Å | Aromatic |
| NAC | NAE | doub | 1.29Å | 1.24Å | Aromatic |
| NAD | NAE | sing | 1.28Å | 1.25Å | Aromatic |
| CAR | H1 | sing | 1.08Å | 1.08Å | |
| CAU | H2 | sing | 1.08Å | 1.08Å | |
| CAV | H3 | sing | 1.08Å | 1.08Å | |
| CAT | H4 | sing | 1.08Å | 1.08Å | |
| CAS | H5 | sing | 1.08Å | 1.08Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| NAF | H14 | sing | 1.01Å | 1.00Å | |
| NAG | H15 | sing | 0.97Å | 1.00Å | |
| NAG | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAV | CAU | 118.8° | 120.0° |
| CAV | CAT | CAS | 119.6° | 120.0° |
| CAT | CAV | H3 | 120.6° | 120.0° |
| CAV | CAT | H4 | 120.2° | 120.0° |
| CAV | CAU | CAR | 120.9° | 120.0° |
| CAV | CAU | H2 | 119.5° | 120.0° |
| CAU | CAV | H3 | 120.6° | 120.0° |
| CAT | CAS | CAN | 121.4° | 120.0° |
| CAS | CAT | H4 | 120.2° | 120.0° |
| CAT | CAS | H5 | 119.3° | 120.1° |
| CAU | CAR | CAN | 119.7° | 120.1° |
| CAU | CAR | H1 | 120.2° | 120.0° |
| CAR | CAU | H2 | 119.5° | 120.0° |
| CAS | CAN | CAR | 118.8° | 120.0° |
| CAS | CAN | CAM | 117.9° | 120.0° |
| CAN | CAS | H5 | 119.3° | 120.0° |
| CAR | CAN | CAM | 121.5° | 120.0° |
| CAN | CAR | H1 | 120.1° | 120.0° |
| CAN | CAM | OAH | 114.0° | 109.5° |
| CAN | CAM | H6 | 108.3° | 109.5° |
| CAN | CAM | H7 | 108.3° | 109.5° |
| CAO | CAP | CAJ | 119.8° | 120.0° |
| CAP | CAO | CAQ | 118.9° | 120.0° |
| CAO | CAP | H9 | 120.1° | 120.0° |
| CAP | CAO | H10 | 120.6° | 120.1° |
| CAP | CAJ | OAH | 119.0° | 120.1° |
| CAP | CAJ | CAK | 120.5° | 119.9° |
| CAJ | CAP | H9 | 120.1° | 120.0° |
| CAM | OAH | CAJ | 123.9° | 117.0° |
| OAH | CAM | H6 | 108.3° | 109.4° |
| OAH | CAM | H7 | 108.3° | 109.4° |
| OAH | CAJ | CAK | 120.2° | 120.0° |
| CAO | CAQ | CAL | 121.2° | 120.1° |
| CAQ | CAO | H10 | 120.6° | 119.9° |
| CAO | CAQ | H11 | 119.4° | 119.9° |
| CAJ | CAK | CAL | 120.8° | 119.9° |
| CAJ | CAK | H8 | 119.6° | 120.1° |
| CAQ | CAL | CAK | 118.6° | 120.0° |
| CAQ | CAL | CAI | 118.7° | 120.0° |
| CAL | CAQ | H11 | 119.4° | 119.9° |
| CAK | CAL | CAI | 122.4° | 119.9° |
| CAL | CAK | H8 | 119.6° | 120.0° |
| CAL | CAI | NAF | 86.6° | 109.5° |
| CAL | CAI | H12 | 114.8° | 109.5° |
| CAL | CAI | H13 | 114.8° | 109.5° |
| CAI | NAF | NAA | 135.8° | 111.0° |
| NAF | CAI | H12 | 114.9° | 109.4° |
| NAF | CAI | H13 | 114.8° | 109.5° |
| CAI | NAF | H14 | 102.5° | 111.0° |
| NAF | NAA | CAB | 118.3° | 127.4° |
| NAF | NAA | NAC | 131.4° | 127.4° |
| NAA | NAF | H14 | 102.6° | 111.0° |
| NAG | CAB | NAA | 125.6° | 126.5° |
| NAG | CAB | NAD | 129.0° | 126.4° |
| CAB | NAG | H15 | 109.5° | 120.0° |
| CAB | NAG | H16 | 109.5° | 120.0° |
| CAB | NAA | NAC | 110.3° | 105.3° |
| NAA | CAB | NAD | 104.4° | 107.1° |
| NAA | NAC | NAE | 107.1° | 106.8° |
| CAB | NAD | NAE | 106.0° | 110.5° |
| NAC | NAE | NAD | 111.9° | 110.3° |
| H6 | CAM | H7 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.5° |
| H15 | NAG | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAV | CAU | H3 | 180.0° | 180.0° |
| CAV | CAT | CAS | H4 | 180.0° | 180.0° |
| CAT | CAV | CAU | CAR | 2.4° | 0.1° |
| CAV | CAT | CAS | CAN | 4.0° | 0.1° |
| CAT | CAV | CAU | H2 | 177.6° | 180.0° |
| CAV | CAT | CAS | H5 | 176.0° | 180.0° |
| CAU | CAV | CAT | CAS | 0.7° | 0.0° |
| CAV | CAU | CAR | H2 | 180.0° | 179.9° |
| CAV | CAU | CAR | CAN | 7.4° | 0.1° |
| CAV | CAU | CAR | H1 | 172.6° | 179.8° |
| CAU | CAV | CAT | H4 | 179.3° | 180.0° |
| CAT | CAS | CAN | H5 | 180.0° | 179.9° |
| CAT | CAS | CAN | CAR | 8.9° | 0.1° |
| CAT | CAS | CAN | CAM | 173.9° | 179.8° |
| CAS | CAT | CAV | H3 | 179.3° | 180.0° |
| CAU | CAR | CAN | CAS | 10.5° | 0.0° |
| CAU | CAR | CAN | H1 | 180.0° | 179.7° |
| CAU | CAR | CAN | CAM | 174.9° | 179.7° |
| CAR | CAU | CAV | H3 | 177.6° | 180.0° |
| CAS | CAN | CAR | CAM | 164.4° | 179.7° |
| CAS | CAN | CAM | OAH | 151.2° | 90.3° |
| CAS | CAN | CAR | H1 | 169.5° | 179.7° |
| CAN | CAS | CAT | H4 | 176.0° | 179.9° |
| CAS | CAN | CAM | H6 | 88.2° | 29.7° |
| CAS | CAN | CAM | H7 | 30.5° | 149.7° |
| CAR | CAN | CAM | OAH | 13.3° | 90.0° |
| CAN | CAR | CAU | H2 | 172.6° | 180.0° |
| CAR | CAN | CAS | H5 | 171.1° | 180.0° |
| CAR | CAN | CAM | H6 | 107.3° | 150.0° |
| CAR | CAN | CAM | H7 | 134.0° | 30.0° |
| CAN | CAM | OAH | H6 | 120.7° | 120.0° |
| CAN | CAM | OAH | H7 | 120.7° | 120.0° |
| CAN | CAM | OAH | CAJ | 180.0° | 180.0° |
| CAM | CAN | CAR | H1 | 5.2° | 0.0° |
| CAM | CAN | CAS | H5 | 6.1° | 0.3° |
| CAN | CAM | H6 | H7 | 117.9° | 120.1° |
| CAO | CAP | CAJ | H9 | 180.0° | 180.0° |
| CAO | CAP | CAJ | OAH | 176.4° | 180.0° |
| CAP | CAO | CAQ | H10 | 180.0° | 180.0° |
| CAO | CAP | CAJ | CAK | 2.4° | 0.2° |
| CAP | CAO | CAQ | CAL | 3.1° | 0.2° |
| CAP | CAO | CAQ | H11 | 176.9° | 180.0° |
| CAP | CAJ | OAH | CAM | 139.4° | 0.3° |
| CAP | CAJ | OAH | CAK | 174.0° | 179.7° |
| CAJ | CAP | CAO | CAQ | 2.4° | 0.0° |
| CAP | CAJ | CAK | CAL | 3.0° | 0.2° |
| CAP | CAJ | CAK | H8 | 177.0° | 179.7° |
| CAJ | CAP | CAO | H10 | 177.6° | 180.0° |
| CAM | OAH | CAJ | CAK | 46.6° | 180.0° |
| OAH | CAM | H6 | H7 | 117.9° | 119.9° |
| OAH | CAJ | CAK | CAL | 176.9° | 180.0° |
| CAJ | OAH | CAM | H6 | 59.3° | 60.0° |
| CAJ | OAH | CAM | H7 | 59.4° | 60.0° |
| OAH | CAJ | CAK | H8 | 3.1° | 0.0° |
| OAH | CAJ | CAP | H9 | 3.6° | 0.0° |
| CAO | CAQ | CAL | H11 | 180.0° | 179.8° |
| CAO | CAQ | CAL | CAK | 3.6° | 0.2° |
| CAO | CAQ | CAL | CAI | 177.8° | 179.8° |
| CAQ | CAO | CAP | H9 | 177.6° | 180.0° |
| CAJ | CAK | CAL | CAQ | 3.5° | 0.0° |
| CAJ | CAK | CAL | H8 | 180.0° | 180.0° |
| CAJ | CAK | CAL | CAI | 177.6° | 180.0° |
| CAK | CAJ | CAP | H9 | 177.6° | 179.7° |
| CAQ | CAL | CAK | CAI | 174.0° | 180.0° |
| CAQ | CAL | CAI | NAF | 48.8° | 89.9° |
| CAQ | CAL | CAK | H8 | 176.5° | 180.0° |
| CAL | CAQ | CAO | H10 | 177.0° | 179.8° |
| CAQ | CAL | CAI | H12 | 164.7° | 30.0° |
| CAQ | CAL | CAI | H13 | 67.1° | 150.0° |
| CAK | CAL | CAI | NAF | 125.2° | 90.0° |
| CAK | CAL | CAQ | H11 | 176.4° | 180.0° |
| CAK | CAL | CAI | H12 | 9.3° | 150.0° |
| CAK | CAL | CAI | H13 | 118.9° | 30.0° |
| CAL | CAI | NAF | H12 | 115.9° | 120.0° |
| CAL | CAI | NAF | H13 | 115.8° | 120.0° |
| CAL | CAI | NAF | NAA | 133.3° | 180.0° |
| CAI | CAL | CAK | H8 | 2.5° | 0.0° |
| CAI | CAL | CAQ | H11 | 2.2° | 0.0° |
| CAL | CAI | H12 | H13 | 130.9° | 120.0° |
| CAL | CAI | NAF | H14 | 10.1° | 56.0° |
| CAI | NAF | NAA | H14 | 123.2° | 124.0° |
| CAI | NAF | NAA | CAB | 179.5° | 180.0° |
| CAI | NAF | NAA | NAC | 1.4° | 0.3° |
| NAF | CAI | H12 | H13 | 130.9° | 120.0° |
| NAF | NAA | CAB | NAG | 6.2° | 0.0° |
| NAF | NAA | CAB | NAC | 179.3° | 179.8° |
| NAF | NAA | CAB | NAD | 175.7° | 179.8° |
| NAF | NAA | NAC | NAE | 177.7° | 180.0° |
| NAA | NAF | CAI | H12 | 110.8° | 60.0° |
| NAA | NAF | CAI | H13 | 17.5° | 60.0° |
| NAG | CAB | NAA | NAD | 169.5° | 179.8° |
| NAG | CAB | NAA | NAC | 174.5° | 179.8° |
| NAG | CAB | NAD | NAE | 173.9° | 179.7° |
| CAB | NAG | H15 | H16 | 120.0° | 180.0° |
| CAB | NAA | NAC | NAE | 3.1° | 0.2° |
| NAA | CAB | NAD | NAE | 4.9° | 0.4° |
| CAB | NAA | NAF | H14 | 56.2° | 56.0° |
| NAA | CAB | NAG | H15 | 166.8° | 0.0° |
| NAA | CAB | NAG | H16 | 46.8° | 180.0° |
| NAC | NAA | CAB | NAD | 5.0° | 0.4° |
| NAA | NAC | NAE | NAD | 0.2° | 0.0° |
| NAC | NAA | NAF | H14 | 124.7° | 123.7° |
| CAB | NAD | NAE | NAC | 3.4° | 0.3° |
| NAD | CAB | NAG | H15 | 0.0° | 179.8° |
| NAD | CAB | NAG | H16 | 120.0° | 0.2° |
| H1 | CAR | CAU | H2 | 7.4° | 0.4° |
| H2 | CAU | CAV | H3 | 2.4° | 0.1° |
| H3 | CAV | CAT | H4 | 0.7° | 0.1° |
| H4 | CAT | CAS | H5 | 4.0° | 0.0° |
| H9 | CAP | CAO | H10 | 2.4° | 0.0° |
| H10 | CAO | CAQ | H11 | 3.0° | 0.0° |
| H12 | CAI | NAF | H14 | 125.9° | 176.0° |
| H13 | CAI | NAF | H14 | 105.8° | 64.0° |
