UC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OBF | CBD | doub | 1.22Å | 1.28Å | |
| OBE | CBD | sing | 1.35Å | 1.29Å | |
| CBD | CAZ | sing | 1.48Å | 1.43Å | |
| CAY | CAZ | doub | 1.40Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.41Å | Aromatic |
| CAZ | CBA | sing | 1.40Å | 1.40Å | Aromatic |
| NAG | C6 | sing | 1.38Å | 1.33Å | |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| CAX | CAT | doub | 1.40Å | 1.44Å | Aromatic |
| CBA | CBB | doub | 1.38Å | 1.43Å | Aromatic |
| NAH | C2 | sing | 1.38Å | 1.36Å | |
| C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C2 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| CAT | CBB | sing | 1.40Å | 1.42Å | Aromatic |
| CAT | CAP | sing | 1.48Å | 1.47Å | |
| C5 | CAJ | sing | 1.43Å | 1.46Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.37Å | Aromatic |
| CAJ | CAL | trip | 1.17Å | 1.04Å | |
| CAO | CAP | doub | 1.40Å | 1.47Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | CAI | sing | 1.51Å | 1.43Å | |
| CAL | CAM | sing | 1.47Å | 1.63Å | |
| CAP | CAQ | sing | 1.40Å | 1.34Å | Aromatic |
| CAK | CAI | sing | 1.53Å | 1.59Å | |
| CAM | CAN | sing | 1.51Å | 1.50Å | |
| CAM | CBC | sing | 1.53Å | 1.40Å | |
| CAN | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| CAQ | OAU | sing | 1.36Å | 1.38Å | |
| CAQ | CAR | doub | 1.39Å | 1.47Å | Aromatic |
| OAU | CAV | sing | 1.44Å | 1.34Å | |
| CAS | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAR | OAW | sing | 1.37Å | 1.37Å | |
| CAV | OAW | sing | 1.44Å | 1.37Å | |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.09Å | 1.10Å | |
| CAI | H5 | sing | 1.09Å | 1.10Å | |
| NAH | H6 | sing | 0.97Å | 1.00Å | |
| NAH | H7 | sing | 0.97Å | 1.00Å | |
| NAG | H8 | sing | 0.97Å | 1.00Å | |
| NAG | H9 | sing | 0.97Å | 1.00Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.08Å | 1.08Å | |
| CAS | H15 | sing | 1.08Å | 1.08Å | |
| CAV | H16 | sing | 1.09Å | 1.10Å | |
| CAV | H17 | sing | 1.09Å | 1.10Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| CAY | H19 | sing | 1.08Å | 1.08Å | |
| OBE | H20 | sing | 0.97Å | 0.95Å | |
| CBA | H21 | sing | 1.08Å | 1.08Å | |
| CBB | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OBF | CBD | OBE | 120.2° | 120.0° |
| OBF | CBD | CAZ | 117.2° | 120.0° |
| OBE | CBD | CAZ | 121.1° | 120.0° |
| CBD | OBE | H20 | 109.5° | 117.0° |
| CBD | CAZ | CAY | 120.2° | 120.0° |
| CBD | CAZ | CBA | 121.3° | 120.0° |
| CAZ | CAY | CAX | 122.4° | 119.9° |
| CAY | CAZ | CBA | 118.4° | 120.0° |
| CAZ | CAY | H19 | 118.8° | 120.0° |
| CAY | CAX | CAT | 121.0° | 120.1° |
| CAY | CAX | H18 | 119.5° | 119.9° |
| CAX | CAY | H19 | 118.8° | 120.1° |
| CAZ | CBA | CBB | 119.2° | 120.0° |
| CAZ | CBA | H21 | 120.4° | 120.0° |
| NAG | C6 | N1 | 114.9° | 120.6° |
| NAG | C6 | C5 | 127.2° | 120.6° |
| C6 | NAG | H8 | 109.5° | 120.0° |
| C6 | NAG | H9 | 109.4° | 120.1° |
| C6 | N1 | C2 | 119.7° | 120.8° |
| N1 | C6 | C5 | 117.9° | 118.8° |
| N1 | C2 | NAH | 120.8° | 119.0° |
| N1 | C2 | N3 | 122.9° | 122.0° |
| CAX | CAT | CBB | 114.5° | 120.1° |
| CAX | CAT | CAP | 123.1° | 120.0° |
| CAT | CAX | H18 | 119.5° | 120.0° |
| CBA | CBB | CAT | 123.6° | 120.0° |
| CBB | CBA | H21 | 120.4° | 120.0° |
| CBA | CBB | H22 | 118.2° | 120.0° |
| NAH | C2 | N3 | 116.3° | 119.0° |
| C2 | NAH | H6 | 109.5° | 120.0° |
| C2 | NAH | H7 | 109.5° | 120.0° |
| C6 | C5 | CAJ | 122.9° | 120.9° |
| C6 | C5 | C4 | 120.1° | 118.3° |
| C2 | N3 | C4 | 120.6° | 121.1° |
| CBB | CAT | CAP | 121.9° | 120.0° |
| CAT | CBB | H22 | 118.2° | 120.0° |
| CAT | CAP | CAO | 117.5° | 120.1° |
| CAT | CAP | CAQ | 117.3° | 120.1° |
| CAJ | C5 | C4 | 117.0° | 120.8° |
| C5 | CAJ | CAL | 177.9° | 180.0° |
| C5 | C4 | N3 | 118.8° | 119.1° |
| C5 | C4 | CAI | 122.8° | 120.5° |
| N3 | C4 | CAI | 118.4° | 120.5° |
| CAJ | CAL | CAM | 176.6° | 180.0° |
| CAP | CAO | CAN | 123.1° | 120.0° |
| CAO | CAP | CAQ | 119.6° | 119.7° |
| CAP | CAO | H14 | 118.5° | 120.0° |
| CAO | CAN | CAM | 122.7° | 119.8° |
| CAO | CAN | CAS | 110.0° | 120.3° |
| CAN | CAO | H14 | 118.4° | 120.0° |
| C4 | CAI | CAK | 113.6° | 109.5° |
| C4 | CAI | H4 | 108.4° | 109.5° |
| C4 | CAI | H5 | 108.4° | 109.5° |
| CAL | CAM | CAN | 99.0° | 109.5° |
| CAL | CAM | CBC | 109.8° | 109.4° |
| CAL | CAM | H10 | 110.3° | 109.5° |
| CAP | CAQ | OAU | 131.0° | 131.5° |
| CAP | CAQ | CAR | 114.6° | 119.7° |
| CAI | CAK | H1 | 109.5° | 109.5° |
| CAI | CAK | H2 | 109.5° | 109.5° |
| CAI | CAK | H3 | 109.4° | 109.5° |
| CAK | CAI | H4 | 108.4° | 109.5° |
| CAK | CAI | H5 | 108.4° | 109.5° |
| CAN | CAM | CBC | 110.5° | 109.4° |
| CAM | CAN | CAS | 127.3° | 119.9° |
| CAN | CAM | H10 | 112.3° | 109.5° |
| CBC | CAM | H10 | 113.9° | 109.4° |
| CAM | CBC | H11 | 109.5° | 109.4° |
| CAM | CBC | H12 | 109.5° | 109.5° |
| CAM | CBC | H13 | 109.5° | 109.4° |
| CAN | CAS | CAR | 127.1° | 120.3° |
| CAN | CAS | H15 | 116.4° | 119.8° |
| OAU | CAQ | CAR | 108.1° | 108.8° |
| CAQ | OAU | CAV | 89.6° | 105.5° |
| CAQ | CAR | CAS | 118.4° | 120.0° |
| CAQ | CAR | OAW | 105.2° | 108.6° |
| OAU | CAV | OAW | 112.7° | 103.7° |
| OAU | CAV | H16 | 108.7° | 110.6° |
| OAU | CAV | H17 | 108.7° | 110.7° |
| CAS | CAR | OAW | 130.7° | 131.4° |
| CAR | CAS | H15 | 116.4° | 119.9° |
| CAR | OAW | CAV | 91.6° | 105.5° |
| OAW | CAV | H16 | 108.7° | 110.6° |
| OAW | CAV | H17 | 108.7° | 110.6° |
| H1 | CAK | H2 | 109.4° | 109.4° |
| H1 | CAK | H3 | 109.5° | 109.5° |
| H2 | CAK | H3 | 109.5° | 109.4° |
| H4 | CAI | H5 | 109.4° | 109.4° |
| H6 | NAH | H7 | 109.5° | 120.1° |
| H8 | NAG | H9 | 109.5° | 120.0° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H11 | CBC | H13 | 109.5° | 109.5° |
| H12 | CBC | H13 | 109.5° | 109.5° |
| H16 | CAV | H17 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OBF | CBD | OBE | CAZ | 165.5° | 180.0° |
| OBF | CBD | CAZ | CAY | 14.1° | 0.1° |
| OBF | CBD | CAZ | CBA | 162.3° | 180.0° |
| OBF | CBD | OBE | H20 | 0.0° | 0.0° |
| OBE | CBD | CAZ | CAY | 179.9° | 180.0° |
| OBE | CBD | CAZ | CBA | 3.6° | 0.1° |
| CBD | CAZ | CAY | CBA | 176.5° | 179.9° |
| CBD | CAZ | CAY | CAX | 177.9° | 180.0° |
| CBD | CAZ | CBA | CBB | 179.5° | 179.9° |
| CBD | CAZ | CAY | H19 | 2.1° | 0.1° |
| CAZ | CBD | OBE | H20 | 165.6° | 180.0° |
| CBD | CAZ | CBA | H21 | 0.4° | 0.0° |
| CAZ | CAY | CAX | H19 | 180.0° | 179.9° |
| CAZ | CAY | CAX | CAT | 4.0° | 0.1° |
| CAY | CAZ | CBA | CBB | 4.0° | 0.0° |
| CAZ | CAY | CAX | H18 | 176.0° | 180.0° |
| CAY | CAZ | CBA | H21 | 176.0° | 179.9° |
| CAX | CAY | CAZ | CBA | 1.4° | 0.1° |
| CAY | CAX | CAT | H18 | 180.0° | 179.9° |
| CAY | CAX | CAT | CBB | 8.6° | 0.0° |
| CAY | CAX | CAT | CAP | 179.4° | 179.7° |
| CAZ | CBA | CBB | H21 | 180.0° | 179.9° |
| CAZ | CBA | CBB | CAT | 9.6° | 0.0° |
| CBA | CAZ | CAY | H19 | 178.6° | 180.0° |
| CAZ | CBA | CBB | H22 | 170.4° | 179.7° |
| NAG | C6 | N1 | C5 | 179.4° | 180.0° |
| NAG | C6 | N1 | C2 | 178.7° | 179.9° |
| NAG | C6 | C5 | CAJ | 2.3° | 0.0° |
| NAG | C6 | C5 | C4 | 177.4° | 180.0° |
| C6 | NAG | H8 | H9 | 120.0° | 179.9° |
| C6 | N1 | C2 | NAH | 179.3° | 180.0° |
| C6 | N1 | C2 | N3 | 0.8° | 0.3° |
| N1 | C6 | C5 | CAJ | 178.4° | 180.0° |
| N1 | C6 | C5 | C4 | 1.9° | 0.0° |
| N1 | C6 | NAG | H8 | 0.0° | 180.0° |
| N1 | C6 | NAG | H9 | 120.0° | 0.1° |
| N1 | C2 | NAH | N3 | 178.6° | 179.7° |
| C2 | N1 | C6 | C5 | 0.7° | 0.1° |
| N1 | C2 | N3 | C4 | 1.0° | 0.6° |
| N1 | C2 | NAH | H6 | 0.0° | 0.1° |
| N1 | C2 | NAH | H7 | 120.0° | 179.9° |
| CAX | CAT | CBB | CBA | 11.6° | 0.0° |
| CAX | CAT | CBB | CAP | 172.1° | 179.7° |
| CAX | CAT | CAP | CAO | 26.6° | 130.3° |
| CAX | CAT | CAP | CAQ | 127.0° | 49.8° |
| CAT | CAX | CAY | H19 | 176.0° | 180.0° |
| CAX | CAT | CBB | H22 | 168.4° | 179.7° |
| CBA | CBB | CAT | H22 | 180.0° | 179.8° |
| CBA | CBB | CAT | CAP | 176.3° | 179.8° |
| NAH | C2 | N3 | C4 | 179.6° | 179.7° |
| C2 | NAH | H6 | H7 | 120.0° | 180.0° |
| C6 | C5 | CAJ | C4 | 179.7° | 180.0° |
| C6 | C5 | C4 | N3 | 1.7° | 0.2° |
| C6 | C5 | CAJ | CAL | 44.3° | 28.9° |
| C6 | C5 | C4 | CAI | 179.8° | 180.0° |
| C5 | C6 | NAG | H8 | 179.4° | 0.0° |
| C5 | C6 | NAG | H9 | 59.3° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.5° |
| C2 | N3 | C4 | CAI | 178.4° | 179.7° |
| N3 | C2 | NAH | H6 | 178.6° | 179.8° |
| N3 | C2 | NAH | H7 | 61.4° | 0.2° |
| CBB | CAT | CAP | CAO | 162.0° | 50.0° |
| CBB | CAT | CAP | CAQ | 44.4° | 129.9° |
| CBB | CAT | CAX | H18 | 171.4° | 179.9° |
| CAT | CBB | CBA | H21 | 170.4° | 180.0° |
| CAT | CAP | CAO | CAQ | 153.0° | 179.9° |
| CAT | CAP | CAO | CAN | 179.9° | 180.0° |
| CAT | CAP | CAQ | OAU | 37.2° | 0.2° |
| CAT | CAP | CAQ | CAR | 174.4° | 179.8° |
| CAT | CAP | CAO | H14 | 0.1° | 0.0° |
| CAP | CAT | CAX | H18 | 0.6° | 0.2° |
| CAP | CAT | CBB | H22 | 3.7° | 0.0° |
| CAJ | C5 | C4 | N3 | 178.6° | 179.8° |
| CAJ | C5 | C4 | CAI | 0.5° | 0.0° |
| C5 | CAJ | CAL | CAM | 114.4° | 12.4° |
| C5 | C4 | N3 | CAI | 178.2° | 179.8° |
| C4 | C5 | CAJ | CAL | 136.1° | 151.1° |
| C5 | C4 | CAI | CAK | 105.3° | 90.0° |
| C5 | C4 | CAI | H4 | 15.4° | 150.0° |
| C5 | C4 | CAI | H5 | 134.1° | 30.1° |
| N3 | C4 | CAI | CAK | 72.8° | 90.2° |
| N3 | C4 | CAI | H4 | 166.5° | 29.8° |
| N3 | C4 | CAI | H5 | 47.8° | 149.7° |
| CAJ | CAL | CAM | CAN | 7.9° | 16.5° |
| CAJ | CAL | CAM | CBC | 107.9° | 136.5° |
| CAJ | CAL | CAM | H10 | 125.8° | 103.5° |
| CAP | CAO | CAN | H14 | 180.0° | 180.0° |
| CAP | CAO | CAN | CAM | 173.8° | 180.0° |
| CAP | CAO | CAN | CAS | 6.9° | 0.2° |
| CAO | CAP | CAQ | OAU | 169.8° | 179.9° |
| CAO | CAP | CAQ | CAR | 21.4° | 0.3° |
| CAO | CAN | CAM | CAL | 61.2° | 120.3° |
| CAN | CAO | CAP | CAQ | 26.9° | 0.0° |
| CAO | CAN | CAM | CAS | 179.2° | 179.8° |
| CAO | CAN | CAM | CBC | 176.4° | 119.8° |
| CAO | CAN | CAS | CAR | 17.1° | 0.2° |
| CAO | CAN | CAM | H10 | 55.2° | 0.2° |
| CAO | CAN | CAS | H15 | 162.9° | 179.7° |
| C4 | CAI | CAK | H4 | 120.6° | 120.0° |
| C4 | CAI | CAK | H5 | 120.6° | 120.1° |
| C4 | CAI | CAK | H1 | 180.0° | 60.0° |
| C4 | CAI | CAK | H2 | 60.0° | 180.0° |
| C4 | CAI | CAK | H3 | 60.0° | 60.0° |
| C4 | CAI | H4 | H5 | 118.1° | 120.0° |
| CAL | CAM | CAN | CBC | 115.2° | 120.0° |
| CAL | CAM | CAN | H10 | 116.4° | 120.1° |
| CAL | CAM | CBC | H10 | 124.3° | 120.0° |
| CAL | CAM | CAN | CAS | 118.0° | 59.9° |
| CAL | CAM | CBC | H11 | 180.0° | 60.0° |
| CAL | CAM | CBC | H12 | 60.0° | 180.0° |
| CAL | CAM | CBC | H13 | 60.0° | 60.0° |
| CAP | CAQ | OAU | CAR | 149.9° | 179.6° |
| CAP | CAQ | OAU | CAV | 179.8° | 162.4° |
| CAP | CAQ | CAR | CAS | 0.1° | 0.3° |
| CAP | CAQ | CAR | OAW | 156.3° | 179.7° |
| CAQ | CAP | CAO | H14 | 153.1° | 180.0° |
| CAI | CAK | H1 | H2 | 120.0° | 120.0° |
| CAI | CAK | H1 | H3 | 120.0° | 120.1° |
| CAI | CAK | H2 | H3 | 120.0° | 120.0° |
| CAK | CAI | H4 | H5 | 118.1° | 120.0° |
| CAN | CAM | CBC | H10 | 127.5° | 120.0° |
| CAM | CAN | CAS | CAR | 162.1° | 180.0° |
| CAN | CAM | CBC | H11 | 71.8° | 60.0° |
| CAN | CAM | CBC | H12 | 168.2° | 60.0° |
| CAN | CAM | CBC | H13 | 48.2° | 180.0° |
| CAM | CAN | CAO | H14 | 6.2° | 0.0° |
| CAM | CAN | CAS | H15 | 17.8° | 0.0° |
| CBC | CAM | CAN | CAS | 2.8° | 60.0° |
| CAM | CBC | H11 | H12 | 120.0° | 120.0° |
| CAM | CBC | H11 | H13 | 120.0° | 119.9° |
| CAM | CBC | H12 | H13 | 120.0° | 119.9° |
| CAN | CAS | CAR | CAQ | 21.8° | 0.0° |
| CAN | CAS | CAR | H15 | 180.0° | 179.9° |
| CAN | CAS | CAR | OAW | 170.8° | 179.9° |
| CAS | CAN | CAM | H10 | 125.6° | 180.0° |
| CAS | CAN | CAO | H14 | 173.1° | 179.8° |
| OAU | CAQ | CAR | CAS | 155.2° | 180.0° |
| OAU | CAQ | CAR | OAW | 0.9° | 0.0° |
| CAQ | OAU | CAV | OAW | 57.5° | 27.1° |
| CAQ | OAU | CAV | H16 | 63.0° | 91.5° |
| CAQ | OAU | CAV | H17 | 177.9° | 145.7° |
| CAR | CAQ | OAU | CAV | 30.3° | 17.2° |
| CAQ | CAR | CAS | OAW | 149.0° | 180.0° |
| CAQ | CAR | OAW | CAV | 28.3° | 17.3° |
| CAQ | CAR | CAS | H15 | 158.3° | 180.0° |
| OAU | CAV | OAW | CAR | 58.2° | 27.1° |
| OAU | CAV | OAW | H16 | 120.5° | 118.6° |
| OAU | CAV | OAW | H17 | 120.5° | 118.7° |
| OAU | CAV | H16 | H17 | 118.5° | 122.9° |
| CAS | CAR | OAW | CAV | 179.7° | 162.7° |
| OAW | CAR | CAS | H15 | 9.3° | 0.0° |
| CAR | OAW | CAV | H16 | 62.3° | 91.5° |
| CAR | OAW | CAV | H17 | 178.6° | 145.8° |
| OAW | CAV | H16 | H17 | 118.5° | 122.8° |
| H1 | CAK | H2 | H3 | 120.0° | 120.0° |
| H1 | CAK | CAI | H4 | 59.4° | 60.0° |
| H1 | CAK | CAI | H5 | 59.4° | 179.9° |
| H2 | CAK | CAI | H4 | 179.3° | 60.0° |
| H2 | CAK | CAI | H5 | 60.6° | 59.9° |
| H3 | CAK | CAI | H4 | 60.6° | 180.0° |
| H3 | CAK | CAI | H5 | 179.4° | 60.0° |
| H10 | CAM | CBC | H11 | 55.7° | 180.0° |
| H10 | CAM | CBC | H12 | 64.3° | 60.0° |
| H10 | CAM | CBC | H13 | 175.7° | 60.0° |
| H11 | CBC | H12 | H13 | 120.0° | 120.1° |
| H18 | CAX | CAY | H19 | 3.9° | 0.1° |
| H21 | CBA | CBB | H22 | 9.6° | 0.2° |
