9YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBA | CAZ | doub | 1.21Å | 1.25Å | |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.51Å | 1.39Å | |
| CAH | N | sing | 1.47Å | 1.47Å | |
| CAE | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | OBD | sing | 1.34Å | 1.25Å | |
| CAZ | CAT | sing | 1.51Å | 1.54Å | |
| CAJ | N | sing | 1.47Å | 1.47Å | |
| CAJ | CAK | sing | 1.53Å | 1.54Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| CAQ | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | NAL | sing | 1.47Å | 1.47Å | |
| CAS | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAS | OAY | sing | 1.36Å | 1.36Å | |
| CAK | NAL | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CAR | OAX | sing | 1.36Å | 1.36Å | |
| NAL | CAM | sing | 1.47Å | 1.48Å | |
| OAX | CBC | sing | 1.43Å | 1.44Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| CAO | CAP | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAN | sing | 1.51Å | 1.42Å | |
| CBE | SBB | sing | 1.81Å | 1.78Å | |
| CAN | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | SBB | sing | 1.76Å | 1.76Å | |
| CBC | H1 | sing | 1.09Å | 1.10Å | |
| CBC | H2 | sing | 1.09Å | 1.10Å | |
| CBC | H3 | sing | 1.09Å | 1.10Å | |
| OAY | H4 | sing | 0.97Å | 0.95Å | |
| CAQ | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| OXT | H13 | sing | 0.97Å | 0.95Å | |
| CAJ | H14 | sing | 1.09Å | 1.10Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAK | H16 | sing | 1.09Å | 1.10Å | |
| CAK | H17 | sing | 1.09Å | 1.10Å | |
| CAT | H19 | sing | 1.09Å | 1.10Å | |
| CAT | H20 | sing | 1.09Å | 1.10Å | |
| OBD | H21 | sing | 0.97Å | 0.95Å | |
| CAM | H22 | sing | 1.09Å | 1.10Å | |
| CAM | H23 | sing | 1.09Å | 1.10Å | |
| CAO | H24 | sing | 1.08Å | 1.08Å | |
| CAP | H25 | sing | 1.08Å | 1.08Å | |
| CAW | H26 | sing | 1.08Å | 1.08Å | |
| CAV | H27 | sing | 1.08Å | 1.08Å | |
| CBE | H28 | sing | 1.09Å | 1.10Å | |
| CBE | H29 | sing | 1.09Å | 1.10Å | |
| CBE | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBA | CAZ | OBD | 125.6° | 120.0° |
| OBA | CAZ | CAT | 116.7° | 120.0° |
| CAE | CAF | CAG | 120.2° | 120.2° |
| CAF | CAE | CAQ | 121.0° | 120.1° |
| CAF | CAE | H6 | 119.5° | 120.0° |
| CAE | CAF | H7 | 119.9° | 119.9° |
| CAF | CAG | CAH | 119.9° | 120.0° |
| CAF | CAG | CAS | 118.0° | 119.9° |
| CAG | CAF | H7 | 119.9° | 119.9° |
| CAG | CAH | N | 112.6° | 109.5° |
| CAH | CAG | CAS | 122.1° | 120.0° |
| CAG | CAH | H8 | 108.7° | 109.5° |
| CAG | CAH | H9 | 108.7° | 109.5° |
| CAH | N | CAJ | 107.4° | 111.0° |
| CAH | N | CA | 109.3° | 111.0° |
| N | CAH | H8 | 108.7° | 109.4° |
| N | CAH | H9 | 108.7° | 109.5° |
| CAE | CAQ | CAR | 118.9° | 120.0° |
| CAE | CAQ | H5 | 120.6° | 120.0° |
| CAQ | CAE | H6 | 119.5° | 119.9° |
| CAG | CAS | CAR | 122.3° | 119.9° |
| CAG | CAS | OAY | 120.0° | 120.1° |
| OBD | CAZ | CAT | 117.7° | 120.0° |
| CAZ | OBD | H21 | 109.5° | 117.0° |
| CAZ | CAT | NAL | 111.1° | 109.5° |
| CAZ | CAT | H19 | 109.1° | 109.5° |
| CAZ | CAT | H20 | 109.0° | 109.4° |
| N | CAJ | CAK | 112.0° | 109.5° |
| CAJ | N | CA | 109.5° | 111.0° |
| N | CAJ | H14 | 108.8° | 109.5° |
| N | CAJ | H15 | 108.8° | 109.5° |
| CAJ | CAK | NAL | 113.3° | 109.5° |
| CAK | CAJ | H14 | 108.8° | 109.5° |
| CAK | CAJ | H15 | 108.8° | 109.5° |
| CAJ | CAK | H16 | 108.5° | 109.5° |
| CAJ | CAK | H17 | 108.5° | 109.5° |
| N | CA | C | 109.7° | 109.5° |
| N | CA | H11 | 109.4° | 109.5° |
| N | CA | H12 | 109.4° | 109.5° |
| CAQ | CAR | CAS | 119.6° | 119.9° |
| CAQ | CAR | OAX | 124.2° | 120.1° |
| CAR | CAQ | H5 | 120.6° | 120.0° |
| CAT | NAL | CAK | 112.2° | 111.0° |
| CAT | NAL | CAM | 111.4° | 111.0° |
| NAL | CAT | H19 | 109.0° | 109.5° |
| NAL | CAT | H20 | 109.1° | 109.5° |
| CAR | CAS | OAY | 117.7° | 120.1° |
| CAS | CAR | OAX | 116.1° | 120.1° |
| CAS | OAY | H4 | 109.5° | 114.0° |
| CAK | NAL | CAM | 113.9° | 111.0° |
| NAL | CAK | H16 | 108.5° | 109.4° |
| NAL | CAK | H17 | 108.5° | 109.4° |
| CA | C | O | 116.9° | 120.0° |
| CA | C | OXT | 117.1° | 120.0° |
| C | CA | H11 | 109.4° | 109.5° |
| C | CA | H12 | 109.4° | 109.5° |
| CAR | OAX | CBC | 113.5° | 117.0° |
| NAL | CAM | CAN | 116.9° | 109.5° |
| NAL | CAM | H22 | 107.6° | 109.5° |
| NAL | CAM | H23 | 107.6° | 109.5° |
| OAX | CBC | H1 | 109.5° | 109.5° |
| OAX | CBC | H2 | 109.5° | 109.4° |
| OAX | CBC | H3 | 109.5° | 109.5° |
| O | C | OXT | 125.9° | 120.0° |
| C | OXT | H13 | 109.5° | 117.0° |
| CAP | CAO | CAN | 121.3° | 120.1° |
| CAO | CAP | CAW | 119.9° | 120.1° |
| CAP | CAO | H24 | 119.3° | 120.0° |
| CAO | CAP | H25 | 120.0° | 120.0° |
| CAO | CAN | CAM | 121.4° | 120.0° |
| CAO | CAN | CAU | 118.2° | 119.9° |
| CAN | CAO | H24 | 119.3° | 119.9° |
| CAP | CAW | CAV | 119.5° | 120.1° |
| CAW | CAP | H25 | 120.1° | 119.9° |
| CAP | CAW | H26 | 120.2° | 120.0° |
| CAM | CAN | CAU | 120.3° | 120.0° |
| CAN | CAM | H22 | 107.6° | 109.5° |
| CAN | CAM | H23 | 107.6° | 109.5° |
| CBE | SBB | CAU | 99.7° | 103.0° |
| SBB | CBE | H28 | 109.5° | 109.5° |
| SBB | CBE | H29 | 109.5° | 109.5° |
| SBB | CBE | H30 | 109.5° | 109.5° |
| CAN | CAU | CAV | 120.7° | 119.8° |
| CAN | CAU | SBB | 120.5° | 120.2° |
| CAW | CAV | CAU | 120.4° | 119.9° |
| CAV | CAW | H26 | 120.3° | 119.9° |
| CAW | CAV | H27 | 119.8° | 120.0° |
| CAV | CAU | SBB | 118.8° | 120.0° |
| CAU | CAV | H27 | 119.8° | 120.1° |
| H1 | CBC | H2 | 109.5° | 109.5° |
| H1 | CBC | H3 | 109.5° | 109.5° |
| H2 | CBC | H3 | 109.4° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.5° |
| H11 | CA | H12 | 109.5° | 109.4° |
| H14 | CAJ | H15 | 109.5° | 109.4° |
| H16 | CAK | H17 | 109.5° | 109.5° |
| H19 | CAT | H20 | 109.5° | 109.5° |
| H22 | CAM | H23 | 109.5° | 109.5° |
| H28 | CBE | H29 | 109.5° | 109.4° |
| H28 | CBE | H30 | 109.4° | 109.5° |
| H29 | CBE | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBA | CAZ | OBD | CAT | 179.8° | 180.0° |
| OBA | CAZ | CAT | NAL | 153.7° | 5.6° |
| OBA | CAZ | CAT | H19 | 86.1° | 114.5° |
| OBA | CAZ | CAT | H20 | 33.4° | 125.5° |
| OBA | CAZ | OBD | H21 | 0.0° | 0.0° |
| CAE | CAF | CAG | H7 | 180.0° | 179.8° |
| CAE | CAF | CAG | CAH | 179.6° | 180.0° |
| CAF | CAE | CAQ | H6 | 180.0° | 179.9° |
| CAE | CAF | CAG | CAS | 0.2° | 0.2° |
| CAF | CAE | CAQ | CAR | 0.0° | 0.0° |
| CAF | CAE | CAQ | H5 | 180.0° | 180.0° |
| CAF | CAG | CAH | CAS | 179.4° | 179.8° |
| CAF | CAG | CAH | N | 122.0° | 92.2° |
| CAG | CAF | CAE | CAQ | 0.2° | 0.3° |
| CAF | CAG | CAS | CAR | 0.1° | 0.0° |
| CAF | CAG | CAS | OAY | 179.8° | 179.9° |
| CAG | CAF | CAE | H6 | 179.8° | 179.8° |
| CAF | CAG | CAH | H8 | 117.5° | 27.7° |
| CAF | CAG | CAH | H9 | 1.6° | 147.7° |
| CAG | CAH | N | H8 | 120.5° | 120.0° |
| CAG | CAH | N | H9 | 120.5° | 120.0° |
| CAG | CAH | N | CAJ | 179.5° | 162.2° |
| CAG | CAH | N | CA | 60.7° | 73.8° |
| CAH | CAG | CAS | CAR | 179.3° | 179.8° |
| CAH | CAG | CAS | OAY | 0.4° | 0.3° |
| CAH | CAG | CAF | H7 | 0.4° | 0.2° |
| CAG | CAH | H8 | H9 | 118.6° | 120.0° |
| N | CAH | CAG | CAS | 58.6° | 88.0° |
| CAH | N | CAJ | CA | 118.6° | 123.9° |
| CAH | N | CAJ | CAK | 158.3° | 163.9° |
| CAH | N | CA | C | 146.2° | 62.7° |
| N | CAH | H8 | H9 | 118.6° | 120.0° |
| CAH | N | CA | H11 | 93.7° | 57.3° |
| CAH | N | CA | H12 | 26.2° | 177.3° |
| CAH | N | CAJ | H14 | 38.0° | 43.9° |
| CAH | N | CAJ | H15 | 81.3° | 76.1° |
| CAE | CAQ | CAR | H5 | 180.0° | 179.9° |
| CAE | CAQ | CAR | CAS | 0.3° | 0.2° |
| CAE | CAQ | CAR | OAX | 179.6° | 180.0° |
| CAQ | CAE | CAF | H7 | 179.7° | 180.0° |
| CAG | CAS | CAR | CAQ | 0.3° | 0.3° |
| CAG | CAS | CAR | OAY | 179.8° | 180.0° |
| CAG | CAS | CAR | OAX | 179.7° | 180.0° |
| CAG | CAS | OAY | H4 | 180.0° | 96.4° |
| CAS | CAG | CAF | H7 | 179.8° | 180.0° |
| CAS | CAG | CAH | H8 | 61.9° | 152.1° |
| CAS | CAG | CAH | H9 | 179.1° | 32.1° |
| OBD | CAZ | CAT | NAL | 26.2° | 174.4° |
| OBD | CAZ | CAT | H19 | 94.1° | 65.6° |
| OBD | CAZ | CAT | H20 | 146.4° | 54.4° |
| CAZ | CAT | NAL | H19 | 120.3° | 120.0° |
| CAZ | CAT | NAL | H20 | 120.2° | 120.0° |
| CAZ | CAT | NAL | CAK | 91.6° | 164.4° |
| CAZ | CAT | NAL | CAM | 139.3° | 71.7° |
| CAZ | CAT | H19 | H20 | 119.2° | 120.0° |
| CAT | CAZ | OBD | H21 | 179.8° | 180.0° |
| N | CAJ | CAK | H14 | 120.4° | 120.0° |
| N | CAJ | CAK | H15 | 120.4° | 120.0° |
| N | CAJ | CAK | NAL | 58.1° | 176.6° |
| CAJ | N | CA | C | 96.3° | 61.2° |
| CAJ | N | CAH | H8 | 60.1° | 42.3° |
| CAJ | N | CAH | H9 | 59.0° | 77.7° |
| CAJ | N | CA | H11 | 23.7° | 178.8° |
| CAJ | N | CA | H12 | 143.6° | 58.8° |
| N | CAJ | H14 | H15 | 118.8° | 120.0° |
| N | CAJ | CAK | H16 | 178.6° | 56.7° |
| N | CAJ | CAK | H17 | 62.5° | 63.4° |
| CAK | CAJ | N | CA | 83.1° | 72.2° |
| CAJ | CAK | NAL | CAT | 80.9° | 66.0° |
| CAJ | CAK | NAL | H16 | 120.6° | 120.0° |
| CAJ | CAK | NAL | H17 | 120.6° | 120.0° |
| CAJ | CAK | NAL | CAM | 151.3° | 170.0° |
| CAK | CAJ | H14 | H15 | 118.8° | 120.0° |
| CAJ | CAK | H16 | H17 | 118.2° | 120.0° |
| N | CA | C | H11 | 120.0° | 120.0° |
| N | CA | C | H12 | 120.0° | 120.0° |
| N | CA | C | O | 18.1° | 4.4° |
| N | CA | C | OXT | 162.8° | 175.5° |
| CA | N | CAH | H8 | 178.8° | 166.2° |
| CA | N | CAH | H9 | 59.8° | 46.2° |
| N | CA | H11 | H12 | 119.9° | 120.0° |
| CA | N | CAJ | H14 | 156.6° | 167.8° |
| CA | N | CAJ | H15 | 37.3° | 47.8° |
| CAQ | CAR | CAS | OAX | 179.4° | 179.8° |
| CAQ | CAR | CAS | OAY | 179.9° | 179.7° |
| CAQ | CAR | OAX | CBC | 8.3° | 0.3° |
| CAR | CAQ | CAE | H6 | 180.0° | 180.0° |
| CAT | NAL | CAK | CAM | 127.8° | 124.0° |
| CAT | NAL | CAM | CAN | 51.0° | 172.1° |
| CAT | NAL | CAK | H16 | 39.6° | 54.0° |
| CAT | NAL | CAK | H17 | 158.5° | 174.0° |
| NAL | CAT | H19 | H20 | 119.3° | 120.0° |
| CAT | NAL | CAM | H22 | 172.1° | 52.1° |
| CAT | NAL | CAM | H23 | 70.0° | 67.8° |
| CAS | CAR | OAX | CBC | 172.3° | 180.0° |
| CAR | CAS | OAY | H4 | 0.2° | 83.5° |
| CAS | CAR | CAQ | H5 | 179.7° | 179.7° |
| OAY | CAS | CAR | OAX | 0.5° | 0.0° |
| CAK | NAL | CAM | CAN | 77.2° | 63.9° |
| NAL | CAK | CAJ | H14 | 62.3° | 63.3° |
| NAL | CAK | CAJ | H15 | 178.4° | 56.6° |
| NAL | CAK | H16 | H17 | 118.3° | 119.9° |
| CAK | NAL | CAT | H19 | 148.2° | 44.3° |
| CAK | NAL | CAT | H20 | 28.7° | 75.7° |
| CAK | NAL | CAM | H22 | 43.9° | 176.1° |
| CAK | NAL | CAM | H23 | 161.8° | 56.1° |
| CA | C | O | OXT | 179.0° | 179.9° |
| C | CA | H11 | H12 | 119.9° | 120.0° |
| CA | C | OXT | H13 | 179.0° | 180.0° |
| CAR | OAX | CBC | H1 | 180.0° | 60.0° |
| CAR | OAX | CBC | H2 | 60.0° | 60.0° |
| CAR | OAX | CBC | H3 | 60.0° | 180.0° |
| OAX | CAR | CAQ | H5 | 0.3° | 0.1° |
| NAL | CAM | CAN | CAO | 71.6° | 101.5° |
| NAL | CAM | CAN | H22 | 121.1° | 120.0° |
| NAL | CAM | CAN | H23 | 121.1° | 120.0° |
| NAL | CAM | CAN | CAU | 110.6° | 78.1° |
| CAM | NAL | CAK | H16 | 88.2° | 70.0° |
| CAM | NAL | CAK | H17 | 30.7° | 50.0° |
| CAM | NAL | CAT | H19 | 19.1° | 168.3° |
| CAM | NAL | CAT | H20 | 100.4° | 48.3° |
| NAL | CAM | H22 | H23 | 116.6° | 120.0° |
| OAX | CBC | H1 | H2 | 120.0° | 120.0° |
| OAX | CBC | H1 | H3 | 120.0° | 120.0° |
| OAX | CBC | H2 | H3 | 120.0° | 120.0° |
| O | C | CA | H11 | 138.2° | 115.6° |
| O | C | CA | H12 | 101.9° | 124.5° |
| O | C | OXT | H13 | 0.0° | 0.0° |
| OXT | C | CA | H11 | 42.7° | 64.5° |
| OXT | C | CA | H12 | 77.2° | 55.5° |
| CAP | CAO | CAN | H24 | 180.0° | 179.9° |
| CAO | CAP | CAW | H25 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 179.3° | 180.0° |
| CAP | CAO | CAN | CAU | 1.4° | 0.4° |
| CAO | CAP | CAW | CAV | 0.2° | 0.1° |
| CAO | CAP | CAW | H26 | 179.8° | 180.0° |
| CAN | CAO | CAP | CAW | 1.0° | 0.1° |
| CAO | CAN | CAM | CAU | 177.8° | 179.6° |
| CAO | CAN | CAU | CAV | 1.2° | 0.7° |
| CAO | CAN | CAU | SBB | 179.3° | 179.7° |
| CAO | CAN | CAM | H22 | 49.4° | 138.5° |
| CAO | CAN | CAM | H23 | 167.3° | 18.5° |
| CAN | CAO | CAP | H25 | 179.1° | 180.0° |
| CAP | CAW | CAV | H26 | 180.0° | 179.9° |
| CAP | CAW | CAV | CAU | 0.0° | 0.4° |
| CAW | CAP | CAO | H24 | 179.1° | 180.0° |
| CAP | CAW | CAV | H27 | 180.0° | 179.9° |
| CAM | CAN | CAU | CAV | 179.1° | 179.7° |
| CAM | CAN | CAU | SBB | 1.4° | 0.1° |
| CAN | CAM | H22 | H23 | 116.6° | 120.0° |
| CAM | CAN | CAO | H24 | 0.7° | 0.1° |
| CBE | SBB | CAU | CAN | 125.7° | 180.0° |
| CBE | SBB | CAU | CAV | 53.8° | 0.3° |
| SBB | CBE | H28 | H29 | 120.0° | 120.0° |
| SBB | CBE | H28 | H30 | 120.0° | 120.0° |
| SBB | CBE | H29 | H30 | 120.0° | 120.0° |
| CAN | CAU | CAV | CAW | 0.5° | 0.7° |
| CAN | CAU | CAV | SBB | 179.5° | 179.6° |
| CAU | CAN | CAM | H22 | 128.4° | 41.9° |
| CAU | CAN | CAM | H23 | 10.5° | 161.9° |
| CAU | CAN | CAO | H24 | 178.6° | 179.7° |
| CAN | CAU | CAV | H27 | 179.5° | 179.6° |
| CAW | CAV | CAU | H27 | 180.0° | 179.7° |
| CAW | CAV | CAU | SBB | 179.9° | 179.7° |
| CAV | CAW | CAP | H25 | 179.8° | 180.0° |
| CAU | CAV | CAW | H26 | 180.0° | 179.7° |
| SBB | CAU | CAV | H27 | 0.1° | 0.0° |
| CAU | SBB | CBE | H28 | 180.0° | 60.0° |
| CAU | SBB | CBE | H29 | 60.0° | 59.9° |
| CAU | SBB | CBE | H30 | 60.0° | 180.0° |
| H1 | CBC | H2 | H3 | 120.0° | 120.0° |
| H5 | CAQ | CAE | H6 | 0.0° | 0.1° |
| H6 | CAE | CAF | H7 | 0.3° | 0.0° |
| H14 | CAJ | CAK | H16 | 58.3° | 176.7° |
| H14 | CAJ | CAK | H17 | 177.1° | 56.7° |
| H15 | CAJ | CAK | H16 | 61.0° | 63.3° |
| H15 | CAJ | CAK | H17 | 57.9° | 176.6° |
| H24 | CAO | CAP | H25 | 0.9° | 0.1° |
| H25 | CAP | CAW | H26 | 0.2° | 0.1° |
| H26 | CAW | CAV | H27 | 0.0° | 0.0° |
| H28 | CBE | H29 | H30 | 120.0° | 120.0° |
