14Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAM | sing | 1.51Å | 1.53Å | |
| CAL | CAK | sing | 1.47Å | 1.47Å | |
| NAI | C6 | sing | 1.38Å | 1.33Å | |
| CAN | CAM | doub | 1.38Å | 1.40Å | Aromatic |
| CAN | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAM | CAR | sing | 1.38Å | 1.39Å | Aromatic |
| CAK | CAJ | trip | 1.17Å | 1.22Å | |
| OAZ | CAO | sing | 1.36Å | 1.37Å | |
| OAZ | CBA | sing | 1.43Å | 1.44Å | |
| CAO | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAJ | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.40Å | Aromatic |
| CAR | CAQ | doub | 1.39Å | 1.40Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| CAQ | CAS | sing | 1.48Å | 1.39Å | |
| CAX | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAX | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N3 | doub | 1.32Å | 1.41Å | Aromatic |
| C4 | CAH | sing | 1.51Å | 1.53Å | |
| CAS | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.40Å | Aromatic |
| C2 | NAG | sing | 1.38Å | 1.33Å | |
| CAH | CAY | sing | 1.53Å | 1.53Å | |
| CAW | OBB | sing | 1.37Å | 1.36Å | |
| CAW | CAV | doub | 1.39Å | 1.40Å | Aromatic |
| OBB | CBC | sing | 1.44Å | 1.43Å | |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | OBD | sing | 1.37Å | 1.36Å | |
| CBC | OBD | sing | 1.44Å | 1.43Å | |
| CAY | H1 | sing | 1.09Å | 1.10Å | |
| CAY | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| NAG | H6 | sing | 0.97Å | 1.00Å | |
| NAG | H7 | sing | 0.97Å | 1.00Å | |
| NAI | H8 | sing | 0.97Å | 1.00Å | |
| NAI | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.08Å | 1.08Å | |
| CAN | H13 | sing | 1.08Å | 1.08Å | |
| CBA | H14 | sing | 1.09Å | 1.10Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CAP | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| CBC | H19 | sing | 1.09Å | 1.10Å | |
| CBC | H20 | sing | 1.09Å | 1.10Å | |
| CAU | H21 | sing | 1.08Å | 1.08Å | |
| CAT | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAL | CAK | 112.1° | 109.5° |
| CAL | CAM | CAN | 119.8° | 119.9° |
| CAL | CAM | CAR | 120.4° | 119.9° |
| CAM | CAL | H10 | 108.8° | 109.5° |
| CAM | CAL | H11 | 108.8° | 109.5° |
| CAL | CAK | CAJ | 178.5° | 180.0° |
| CAK | CAL | H10 | 108.8° | 109.4° |
| CAK | CAL | H11 | 108.8° | 109.5° |
| NAI | C6 | C5 | 120.4° | 120.6° |
| NAI | C6 | N1 | 119.2° | 120.6° |
| C6 | NAI | H8 | 109.5° | 120.1° |
| C6 | NAI | H9 | 109.5° | 120.0° |
| CAM | CAN | CAO | 120.2° | 120.2° |
| CAN | CAM | CAR | 119.8° | 120.2° |
| CAM | CAN | H13 | 119.9° | 119.9° |
| CAN | CAO | OAZ | 120.2° | 120.0° |
| CAN | CAO | CAP | 119.7° | 120.0° |
| CAO | CAN | H13 | 119.9° | 119.9° |
| CAM | CAR | CAQ | 120.3° | 120.0° |
| CAM | CAR | H12 | 119.9° | 120.0° |
| CAK | CAJ | C5 | 179.9° | 180.0° |
| CAO | OAZ | CBA | 112.6° | 117.0° |
| OAZ | CAO | CAP | 120.1° | 120.0° |
| OAZ | CBA | H14 | 109.5° | 109.5° |
| OAZ | CBA | H15 | 109.5° | 109.5° |
| OAZ | CBA | H16 | 109.5° | 109.5° |
| CAO | CAP | CAQ | 120.3° | 119.9° |
| CAO | CAP | H17 | 119.8° | 120.1° |
| CAJ | C5 | C6 | 119.2° | 120.9° |
| CAJ | C5 | C4 | 120.3° | 120.9° |
| C5 | C6 | N1 | 120.4° | 118.8° |
| C6 | C5 | C4 | 120.5° | 118.2° |
| C6 | N1 | C2 | 119.7° | 120.8° |
| CAR | CAQ | CAP | 119.7° | 119.8° |
| CAR | CAQ | CAS | 120.0° | 120.1° |
| CAQ | CAR | H12 | 119.9° | 120.0° |
| CAP | CAQ | CAS | 120.3° | 120.1° |
| CAQ | CAP | H17 | 119.9° | 120.0° |
| C5 | C4 | N3 | 118.9° | 119.1° |
| C5 | C4 | CAH | 124.4° | 120.4° |
| N1 | C2 | N3 | 119.6° | 122.0° |
| N1 | C2 | NAG | 120.0° | 119.0° |
| CAQ | CAS | CAX | 120.1° | 120.0° |
| CAQ | CAS | CAT | 120.0° | 120.1° |
| CAS | CAX | CAW | 120.1° | 119.9° |
| CAX | CAS | CAT | 119.8° | 119.9° |
| CAS | CAX | H18 | 119.9° | 120.0° |
| CAX | CAW | OBB | 131.7° | 131.4° |
| CAX | CAW | CAV | 119.9° | 120.0° |
| CAW | CAX | H18 | 120.0° | 120.0° |
| N3 | C4 | CAH | 116.7° | 120.5° |
| C4 | N3 | C2 | 120.9° | 121.1° |
| C4 | CAH | CAY | 111.1° | 109.5° |
| C4 | CAH | H4 | 109.0° | 109.5° |
| C4 | CAH | H5 | 109.1° | 109.5° |
| CAS | CAT | CAU | 120.1° | 120.1° |
| CAS | CAT | H22 | 119.9° | 120.0° |
| N3 | C2 | NAG | 120.3° | 119.0° |
| C2 | NAG | H6 | 109.5° | 120.0° |
| C2 | NAG | H7 | 109.5° | 120.0° |
| CAH | CAY | H1 | 109.5° | 109.4° |
| CAH | CAY | H2 | 109.4° | 109.5° |
| CAH | CAY | H3 | 109.5° | 109.5° |
| CAY | CAH | H4 | 109.1° | 109.5° |
| CAY | CAH | H5 | 109.1° | 109.5° |
| OBB | CAW | CAV | 108.4° | 108.6° |
| CAW | OBB | CBC | 103.9° | 105.4° |
| CAW | CAV | CAU | 120.1° | 120.0° |
| CAW | CAV | OBD | 108.2° | 108.6° |
| OBB | CBC | OBD | 103.6° | 103.8° |
| OBB | CBC | H19 | 110.9° | 110.6° |
| OBB | CBC | H20 | 110.9° | 110.5° |
| CAT | CAU | CAV | 119.9° | 120.2° |
| CAT | CAU | H21 | 120.1° | 119.9° |
| CAU | CAT | H22 | 120.0° | 120.0° |
| CAU | CAV | OBD | 131.7° | 131.4° |
| CAV | CAU | H21 | 120.0° | 119.9° |
| CAV | OBD | CBC | 104.0° | 105.5° |
| OBD | CBC | H19 | 110.9° | 110.6° |
| OBD | CBC | H20 | 110.9° | 110.6° |
| H1 | CAY | H2 | 109.5° | 109.4° |
| H1 | CAY | H3 | 109.5° | 109.4° |
| H2 | CAY | H3 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.4° |
| H6 | NAG | H7 | 109.5° | 120.0° |
| H8 | NAI | H9 | 109.5° | 119.9° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H14 | CBA | H15 | 109.5° | 109.5° |
| H14 | CBA | H16 | 109.5° | 109.5° |
| H15 | CBA | H16 | 109.4° | 109.5° |
| H19 | CBC | H20 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAL | CAK | H10 | 120.4° | 120.0° |
| CAM | CAL | CAK | H11 | 120.4° | 120.0° |
| CAL | CAM | CAN | CAR | 179.6° | 179.7° |
| CAL | CAM | CAN | CAO | 179.9° | 180.0° |
| CAM | CAL | CAK | CAJ | 176.7° | 132.5° |
| CAL | CAM | CAR | CAQ | 179.9° | 180.0° |
| CAM | CAL | H10 | H11 | 118.8° | 120.0° |
| CAL | CAM | CAR | H12 | 0.2° | 0.1° |
| CAL | CAM | CAN | H13 | 0.0° | 0.0° |
| CAK | CAL | CAM | CAN | 126.4° | 90.3° |
| CAK | CAL | CAM | CAR | 54.0° | 90.0° |
| CAL | CAK | CAJ | C5 | 9.0° | 153.5° |
| CAK | CAL | H10 | H11 | 118.8° | 120.0° |
| NAI | C6 | C5 | CAJ | 0.0° | 0.6° |
| NAI | C6 | C5 | N1 | 180.0° | 179.4° |
| NAI | C6 | C5 | C4 | 180.0° | 180.0° |
| NAI | C6 | N1 | C2 | 179.9° | 179.7° |
| C6 | NAI | H8 | H9 | 120.0° | 180.0° |
| CAM | CAN | CAO | H13 | 180.0° | 180.0° |
| CAM | CAN | CAO | OAZ | 179.9° | 180.0° |
| CAM | CAN | CAO | CAP | 0.6° | 0.0° |
| CAN | CAM | CAR | CAQ | 0.3° | 0.3° |
| CAN | CAM | CAL | H10 | 6.0° | 149.7° |
| CAN | CAM | CAL | H11 | 113.2° | 29.7° |
| CAN | CAM | CAR | H12 | 179.8° | 179.8° |
| CAO | CAN | CAM | CAR | 0.5° | 0.3° |
| CAN | CAO | OAZ | CAP | 179.3° | 180.0° |
| CAN | CAO | OAZ | CBA | 90.6° | 0.0° |
| CAN | CAO | CAP | CAQ | 0.5° | 0.2° |
| CAN | CAO | CAP | H17 | 179.5° | 180.0° |
| CAM | CAR | CAQ | H12 | 180.0° | 179.9° |
| CAM | CAR | CAQ | CAP | 0.2° | 0.0° |
| CAM | CAR | CAQ | CAS | 179.9° | 180.0° |
| CAR | CAM | CAL | H10 | 174.4° | 30.0° |
| CAR | CAM | CAL | H11 | 66.4° | 150.0° |
| CAR | CAM | CAN | H13 | 179.6° | 179.7° |
| CAK | CAJ | C5 | C6 | 6.8° | 159.0° |
| CAK | CAJ | C5 | C4 | 173.1° | 21.6° |
| CAJ | CAK | CAL | H10 | 62.9° | 12.4° |
| CAJ | CAK | CAL | H11 | 56.4° | 107.6° |
| OAZ | CAO | CAP | CAQ | 179.9° | 179.7° |
| OAZ | CAO | CAN | H13 | 0.1° | 0.0° |
| CAO | OAZ | CBA | H14 | 180.0° | 180.0° |
| CAO | OAZ | CBA | H15 | 60.0° | 60.0° |
| CAO | OAZ | CBA | H16 | 60.0° | 60.0° |
| OAZ | CAO | CAP | H17 | 0.1° | 0.0° |
| CBA | OAZ | CAO | CAP | 90.0° | 180.0° |
| OAZ | CBA | H14 | H15 | 120.0° | 120.0° |
| OAZ | CBA | H14 | H16 | 120.0° | 120.0° |
| OAZ | CBA | H15 | H16 | 120.0° | 120.0° |
| CAO | CAP | CAQ | CAR | 0.3° | 0.2° |
| CAO | CAP | CAQ | H17 | 180.0° | 179.7° |
| CAO | CAP | CAQ | CAS | 179.7° | 179.7° |
| CAP | CAO | CAN | H13 | 179.4° | 180.0° |
| CAJ | C5 | C6 | C4 | 180.0° | 179.4° |
| CAJ | C5 | C6 | N1 | 180.0° | 180.0° |
| CAJ | C5 | C4 | N3 | 180.0° | 180.0° |
| CAJ | C5 | C4 | CAH | 0.1° | 0.3° |
| C5 | C6 | N1 | C2 | 0.1° | 0.3° |
| C6 | C5 | C4 | N3 | 0.0° | 0.6° |
| C6 | C5 | C4 | CAH | 179.9° | 179.7° |
| C5 | C6 | NAI | H8 | 179.9° | 0.0° |
| C5 | C6 | NAI | H9 | 60.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.5° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | NAG | 180.0° | 180.0° |
| N1 | C6 | NAI | H8 | 0.0° | 179.5° |
| N1 | C6 | NAI | H9 | 120.0° | 0.6° |
| CAR | CAQ | CAP | CAS | 179.9° | 179.9° |
| CAR | CAQ | CAS | CAX | 71.2° | 179.8° |
| CAR | CAQ | CAS | CAT | 108.8° | 0.0° |
| CAR | CAQ | CAP | H17 | 179.7° | 180.0° |
| CAP | CAQ | CAS | CAX | 108.8° | 0.3° |
| CAP | CAQ | CAS | CAT | 71.3° | 180.0° |
| CAP | CAQ | CAR | H12 | 179.8° | 180.0° |
| C5 | C4 | N3 | CAH | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C5 | C4 | CAH | CAY | 93.4° | 90.3° |
| C5 | C4 | CAH | H4 | 26.8° | 149.7° |
| C5 | C4 | CAH | H5 | 146.3° | 29.7° |
| N1 | C2 | N3 | C4 | 0.0° | 0.0° |
| N1 | C2 | N3 | NAG | 180.0° | 180.0° |
| N1 | C2 | NAG | H6 | 0.0° | 180.0° |
| N1 | C2 | NAG | H7 | 120.0° | 0.0° |
| CAQ | CAS | CAX | CAT | 179.9° | 179.7° |
| CAQ | CAS | CAX | CAW | 180.0° | 179.9° |
| CAQ | CAS | CAT | CAU | 180.0° | 179.8° |
| CAS | CAQ | CAR | H12 | 0.1° | 0.1° |
| CAS | CAQ | CAP | H17 | 0.3° | 0.0° |
| CAQ | CAS | CAX | H18 | 0.1° | 0.0° |
| CAQ | CAS | CAT | H22 | 0.0° | 0.0° |
| CAS | CAX | CAW | H18 | 180.0° | 179.9° |
| CAS | CAX | CAW | OBB | 180.0° | 180.0° |
| CAS | CAX | CAW | CAV | 0.0° | 0.1° |
| CAX | CAS | CAT | CAU | 0.1° | 0.5° |
| CAX | CAS | CAT | H22 | 179.9° | 179.7° |
| CAW | CAX | CAS | CAT | 0.0° | 0.2° |
| CAX | CAW | OBB | CAV | 180.0° | 180.0° |
| CAX | CAW | OBB | CBC | 159.3° | 162.7° |
| CAX | CAW | CAV | CAU | 0.0° | 0.1° |
| CAX | CAW | CAV | OBD | 180.0° | 180.0° |
| C4 | N3 | C2 | NAG | 180.0° | 180.0° |
| N3 | C4 | CAH | CAY | 86.7° | 90.0° |
| N3 | C4 | CAH | H4 | 153.1° | 30.0° |
| N3 | C4 | CAH | H5 | 33.6° | 150.0° |
| CAH | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | CAH | CAY | H4 | 120.2° | 120.0° |
| C4 | CAH | CAY | H5 | 120.3° | 120.0° |
| C4 | CAH | CAY | H1 | 180.0° | 180.0° |
| C4 | CAH | CAY | H2 | 60.0° | 60.1° |
| C4 | CAH | CAY | H3 | 60.0° | 60.0° |
| C4 | CAH | H4 | H5 | 119.3° | 120.0° |
| CAS | CAT | CAU | H22 | 180.0° | 179.8° |
| CAS | CAT | CAU | CAV | 0.1° | 0.4° |
| CAT | CAS | CAX | H18 | 180.0° | 179.8° |
| CAS | CAT | CAU | H21 | 179.8° | 179.7° |
| N3 | C2 | NAG | H6 | 180.0° | 0.0° |
| N3 | C2 | NAG | H7 | 60.0° | 180.0° |
| C2 | NAG | H6 | H7 | 120.0° | 180.0° |
| CAH | CAY | H1 | H2 | 120.0° | 120.0° |
| CAH | CAY | H1 | H3 | 120.0° | 120.0° |
| CAH | CAY | H2 | H3 | 120.0° | 120.1° |
| CAY | CAH | H4 | H5 | 119.3° | 120.0° |
| OBB | CAW | CAV | CAU | 180.0° | 179.9° |
| OBB | CAW | CAV | OBD | 0.0° | 0.0° |
| CAW | OBB | CBC | OBD | 32.9° | 27.2° |
| OBB | CAW | CAX | H18 | 0.0° | 0.0° |
| CAW | OBB | CBC | H19 | 86.2° | 91.4° |
| CAW | OBB | CBC | H20 | 151.9° | 145.8° |
| CAV | CAW | OBB | CBC | 20.7° | 17.3° |
| CAW | CAV | CAU | CAT | 0.1° | 0.2° |
| CAW | CAV | CAU | OBD | 180.0° | 179.9° |
| CAW | CAV | OBD | CBC | 20.7° | 17.4° |
| CAV | CAW | CAX | H18 | 180.0° | 180.0° |
| CAW | CAV | CAU | H21 | 179.9° | 180.0° |
| OBB | CBC | OBD | CAV | 32.9° | 27.2° |
| OBB | CBC | OBD | H19 | 119.0° | 118.6° |
| OBB | CBC | OBD | H20 | 119.1° | 118.5° |
| OBB | CBC | H19 | H20 | 122.7° | 122.8° |
| CAT | CAU | CAV | H21 | 180.0° | 179.8° |
| CAT | CAU | CAV | OBD | 180.0° | 179.7° |
| CAU | CAV | OBD | CBC | 159.3° | 162.7° |
| CAV | CAU | CAT | H22 | 179.9° | 179.8° |
| CAV | OBD | CBC | H19 | 86.1° | 91.4° |
| CAV | OBD | CBC | H20 | 152.0° | 145.7° |
| OBD | CAV | CAU | H21 | 0.1° | 0.1° |
| OBD | CBC | H19 | H20 | 122.7° | 122.9° |
| H1 | CAY | H2 | H3 | 120.0° | 120.0° |
| H1 | CAY | CAH | H4 | 59.8° | 60.0° |
| H1 | CAY | CAH | H5 | 59.7° | 60.0° |
| H2 | CAY | CAH | H4 | 179.8° | 60.0° |
| H2 | CAY | CAH | H5 | 60.3° | 179.9° |
| H3 | CAY | CAH | H4 | 60.2° | 180.0° |
| H3 | CAY | CAH | H5 | 179.8° | 60.0° |
| H14 | CBA | H15 | H16 | 120.0° | 120.0° |
| H21 | CAU | CAT | H22 | 0.1° | 0.1° |
