918
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAP | CAL | sing | 1.39Å | 1.32Å | |
| CAL | CAM | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | NAK | sing | 1.33Å | 1.32Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| NAK | CAJ | doub | 1.32Å | 1.37Å | Aromatic |
| FBB | CAO | sing | 1.40Å | 1.31Å | |
| CAN | CAO | sing | 1.51Å | 1.42Å | |
| CAN | CAH | doub | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | FAZ | sing | 1.40Å | 1.27Å | |
| CAO | FBA | sing | 1.40Å | 1.28Å | |
| CAH | C4 | sing | 1.48Å | 1.40Å | |
| C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| CAU | CAT | sing | 1.53Å | 1.51Å | |
| CAU | NAG | sing | 1.47Å | 1.48Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | OAS | sing | 1.43Å | 1.41Å | |
| C2 | NAG | sing | 1.38Å | 1.35Å | |
| C2 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| NAG | CAQ | sing | 1.47Å | 1.49Å | |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | NAI | sing | 1.39Å | 1.30Å | |
| OAS | CAR | sing | 1.43Å | 1.41Å | |
| CAY | NAI | sing | 1.48Å | 1.45Å | |
| CAY | CAX | sing | 1.55Å | 1.50Å | |
| NAI | CAV | sing | 1.47Å | 1.45Å | |
| CAQ | CAR | sing | 1.53Å | 1.50Å | |
| CAX | CAW | sing | 1.55Å | 1.51Å | |
| CAV | CAW | sing | 1.54Å | 1.49Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| CAM | H2 | sing | 1.08Å | 1.08Å | |
| NAP | H3 | sing | 0.97Å | 1.00Å | |
| NAP | H4 | sing | 0.97Å | 1.00Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAV | H6 | sing | 1.09Å | 1.10Å | |
| CAV | H7 | sing | 1.09Å | 1.10Å | |
| CAW | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAY | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAR | H16 | sing | 1.09Å | 1.10Å | |
| CAR | H17 | sing | 1.09Å | 1.10Å | |
| CAT | H18 | sing | 1.09Å | 1.10Å | |
| CAT | H19 | sing | 1.09Å | 1.10Å | |
| CAU | H20 | sing | 1.09Å | 1.10Å | |
| CAU | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAP | CAL | CAM | 120.4° | 119.6° |
| NAP | CAL | NAK | 118.7° | 119.6° |
| CAL | NAP | H3 | 109.5° | 120.0° |
| CAL | NAP | H4 | 109.5° | 120.0° |
| CAM | CAL | NAK | 120.9° | 120.9° |
| CAL | CAM | CAN | 121.4° | 119.2° |
| CAL | CAM | H2 | 119.3° | 120.4° |
| CAL | NAK | CAJ | 120.1° | 121.7° |
| CAM | CAN | CAO | 119.7° | 120.8° |
| CAM | CAN | CAH | 117.2° | 118.4° |
| CAN | CAM | H2 | 119.3° | 120.4° |
| NAK | CAJ | CAH | 121.2° | 120.7° |
| NAK | CAJ | H5 | 119.4° | 119.7° |
| FBB | CAO | CAN | 111.6° | 109.5° |
| FBB | CAO | FAZ | 106.3° | 109.5° |
| FBB | CAO | FBA | 107.8° | 109.5° |
| CAO | CAN | CAH | 123.1° | 120.8° |
| CAN | CAO | FAZ | 110.9° | 109.4° |
| CAN | CAO | FBA | 111.2° | 109.5° |
| CAN | CAH | CAJ | 119.3° | 119.1° |
| CAN | CAH | C4 | 126.0° | 120.5° |
| CAJ | CAH | C4 | 114.7° | 120.5° |
| CAH | CAJ | H5 | 119.4° | 119.6° |
| FAZ | CAO | FBA | 108.9° | 109.4° |
| CAH | C4 | N3 | 118.0° | 120.5° |
| CAH | C4 | C5 | 122.8° | 120.5° |
| N3 | C4 | C5 | 119.2° | 119.0° |
| C4 | N3 | C2 | 122.4° | 120.8° |
| C4 | C5 | C6 | 116.7° | 118.4° |
| C4 | C5 | H1 | 121.6° | 120.8° |
| N3 | C2 | NAG | 120.1° | 119.1° |
| N3 | C2 | N1 | 119.8° | 121.8° |
| CAT | CAU | NAG | 112.5° | 109.3° |
| CAU | CAT | OAS | 111.1° | 109.2° |
| CAU | CAT | H18 | 109.0° | 109.5° |
| CAU | CAT | H19 | 109.1° | 109.6° |
| CAT | CAU | H20 | 108.7° | 109.5° |
| CAT | CAU | H21 | 108.7° | 109.5° |
| CAU | NAG | C2 | 119.0° | 111.0° |
| CAU | NAG | CAQ | 121.3° | 110.7° |
| NAG | CAU | H20 | 108.7° | 109.5° |
| NAG | CAU | H21 | 108.7° | 109.6° |
| C5 | C6 | N1 | 121.7° | 119.1° |
| C5 | C6 | NAI | 122.8° | 120.4° |
| C6 | C5 | H1 | 121.6° | 120.8° |
| CAT | OAS | CAR | 110.9° | 113.7° |
| OAS | CAT | H18 | 109.1° | 109.5° |
| OAS | CAT | H19 | 109.1° | 109.5° |
| NAG | C2 | N1 | 120.1° | 119.1° |
| C2 | NAG | CAQ | 119.7° | 111.0° |
| C2 | N1 | C6 | 120.2° | 120.9° |
| NAG | CAQ | CAR | 112.8° | 109.3° |
| NAG | CAQ | H14 | 108.6° | 109.5° |
| NAG | CAQ | H15 | 108.7° | 109.5° |
| N1 | C6 | NAI | 115.5° | 120.5° |
| C6 | NAI | CAY | 128.2° | 111.0° |
| C6 | NAI | CAV | 120.9° | 111.0° |
| OAS | CAR | CAQ | 111.6° | 109.3° |
| OAS | CAR | H16 | 108.9° | 109.5° |
| OAS | CAR | H17 | 108.9° | 109.5° |
| NAI | CAY | CAX | 103.3° | 104.8° |
| CAY | NAI | CAV | 111.0° | 108.6° |
| NAI | CAY | H12 | 111.0° | 110.4° |
| NAI | CAY | H13 | 111.0° | 110.4° |
| CAY | CAX | CAW | 103.5° | 101.6° |
| CAY | CAX | H10 | 110.9° | 111.0° |
| CAY | CAX | H11 | 111.0° | 111.0° |
| CAX | CAY | H12 | 111.0° | 110.4° |
| CAX | CAY | H13 | 111.0° | 110.4° |
| NAI | CAV | CAW | 104.0° | 107.2° |
| NAI | CAV | H6 | 110.8° | 109.8° |
| NAI | CAV | H7 | 110.8° | 109.9° |
| CAR | CAQ | H14 | 108.6° | 109.5° |
| CAR | CAQ | H15 | 108.6° | 109.5° |
| CAQ | CAR | H16 | 108.9° | 109.6° |
| CAQ | CAR | H17 | 108.9° | 109.5° |
| CAX | CAW | CAV | 102.3° | 103.0° |
| CAX | CAW | H8 | 111.2° | 110.8° |
| CAX | CAW | H9 | 111.2° | 110.9° |
| CAW | CAX | H10 | 111.0° | 111.0° |
| CAW | CAX | H11 | 110.9° | 110.9° |
| CAW | CAV | H6 | 110.9° | 109.9° |
| CAW | CAV | H7 | 110.9° | 109.9° |
| CAV | CAW | H8 | 111.2° | 110.7° |
| CAV | CAW | H9 | 111.2° | 110.6° |
| H3 | NAP | H4 | 109.5° | 120.0° |
| H6 | CAV | H7 | 109.5° | 110.1° |
| H8 | CAW | H9 | 109.5° | 110.6° |
| H10 | CAX | H11 | 109.5° | 110.9° |
| H12 | CAY | H13 | 109.4° | 110.4° |
| H14 | CAQ | H15 | 109.5° | 109.5° |
| H16 | CAR | H17 | 109.5° | 109.5° |
| H18 | CAT | H19 | 109.5° | 109.5° |
| H20 | CAU | H21 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAP | CAL | CAM | NAK | 179.3° | 180.0° |
| NAP | CAL | CAM | CAN | 179.7° | 180.0° |
| NAP | CAL | NAK | CAJ | 179.5° | 180.0° |
| NAP | CAL | CAM | H2 | 0.3° | 0.0° |
| CAL | NAP | H3 | H4 | 120.0° | 179.9° |
| CAL | CAM | CAN | H2 | 180.0° | 179.9° |
| CAM | CAL | NAK | CAJ | 0.1° | 0.1° |
| CAL | CAM | CAN | CAO | 179.7° | 180.0° |
| CAL | CAM | CAN | CAH | 0.1° | 0.3° |
| CAM | CAL | NAP | H3 | 179.3° | 0.0° |
| CAM | CAL | NAP | H4 | 60.6° | 180.0° |
| NAK | CAL | CAM | CAN | 0.4° | 0.1° |
| CAL | NAK | CAJ | CAH | 0.6° | 0.4° |
| NAK | CAL | CAM | H2 | 179.6° | 180.0° |
| NAK | CAL | NAP | H3 | 0.0° | 180.0° |
| NAK | CAL | NAP | H4 | 120.0° | 0.0° |
| CAL | NAK | CAJ | H5 | 179.4° | 180.0° |
| CAM | CAN | CAO | FBB | 15.0° | 120.3° |
| CAM | CAN | CAO | CAH | 179.7° | 179.7° |
| CAM | CAN | CAH | CAJ | 0.7° | 0.6° |
| CAM | CAN | CAO | FAZ | 103.3° | 0.3° |
| CAM | CAN | CAO | FBA | 135.4° | 119.7° |
| CAM | CAN | CAH | C4 | 178.3° | 179.7° |
| NAK | CAJ | CAH | CAN | 1.0° | 0.7° |
| NAK | CAJ | CAH | H5 | 180.0° | 179.6° |
| NAK | CAJ | CAH | C4 | 178.9° | 179.7° |
| FBB | CAO | CAN | FAZ | 118.4° | 120.0° |
| FBB | CAO | CAN | FBA | 120.3° | 120.0° |
| FBB | CAO | CAN | CAH | 164.6° | 60.0° |
| FBB | CAO | FAZ | FBA | 115.9° | 120.0° |
| CAO | CAN | CAH | CAJ | 179.6° | 179.7° |
| CAN | CAO | FAZ | FBA | 122.6° | 120.0° |
| CAO | CAN | CAH | C4 | 2.0° | 0.0° |
| CAO | CAN | CAM | H2 | 0.3° | 0.0° |
| CAN | CAH | CAJ | C4 | 177.9° | 179.7° |
| CAH | CAN | CAO | FAZ | 77.0° | 180.0° |
| CAH | CAN | CAO | FBA | 44.3° | 60.0° |
| CAN | CAH | C4 | N3 | 48.1° | 0.1° |
| CAN | CAH | C4 | C5 | 133.9° | 179.8° |
| CAH | CAN | CAM | H2 | 179.9° | 179.7° |
| CAN | CAH | CAJ | H5 | 179.0° | 179.7° |
| CAJ | CAH | C4 | N3 | 129.6° | 179.7° |
| CAJ | CAH | C4 | C5 | 48.4° | 0.6° |
| CAH | C4 | N3 | C5 | 178.0° | 179.7° |
| CAH | C4 | N3 | C2 | 179.6° | 179.8° |
| CAH | C4 | C5 | C6 | 178.9° | 179.7° |
| CAH | C4 | C5 | H1 | 1.1° | 0.3° |
| C4 | CAH | CAJ | H5 | 1.1° | 0.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C4 | N3 | C2 | NAG | 179.5° | 180.0° |
| C4 | N3 | C2 | N1 | 1.8° | 0.1° |
| N3 | C4 | C5 | H1 | 179.0° | 180.0° |
| C5 | C4 | N3 | C2 | 1.6° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 0.5° | 0.0° |
| C4 | C5 | C6 | NAI | 179.8° | 180.0° |
| N3 | C2 | NAG | CAU | 3.5° | 123.5° |
| N3 | C2 | NAG | N1 | 178.7° | 179.9° |
| N3 | C2 | NAG | CAQ | 174.4° | 0.1° |
| N3 | C2 | N1 | C6 | 1.3° | 0.1° |
| CAT | CAU | NAG | H20 | 120.5° | 119.8° |
| CAT | CAU | NAG | H21 | 120.5° | 120.0° |
| CAU | CAT | OAS | H18 | 120.2° | 119.9° |
| CAU | CAT | OAS | H19 | 120.2° | 120.0° |
| CAT | CAU | NAG | C2 | 157.8° | 177.6° |
| CAT | CAU | NAG | CAQ | 20.1° | 58.7° |
| CAU | CAT | OAS | CAR | 67.1° | 58.7° |
| CAU | CAT | H18 | H19 | 119.2° | 120.2° |
| CAT | CAU | H20 | H21 | 118.6° | 120.1° |
| NAG | CAU | CAT | OAS | 41.9° | 56.9° |
| CAU | NAG | C2 | CAQ | 177.9° | 123.6° |
| CAU | NAG | C2 | N1 | 177.8° | 56.4° |
| CAU | NAG | CAQ | CAR | 19.2° | 58.6° |
| CAU | NAG | CAQ | H14 | 101.2° | 61.3° |
| CAU | NAG | CAQ | H15 | 139.7° | 178.6° |
| NAG | CAU | CAT | H18 | 78.4° | 176.8° |
| NAG | CAU | CAT | H19 | 162.1° | 63.0° |
| NAG | CAU | H20 | H21 | 118.6° | 120.2° |
| C5 | C6 | N1 | C2 | 0.7° | 0.1° |
| C5 | C6 | N1 | NAI | 179.7° | 180.0° |
| C5 | C6 | NAI | CAY | 4.9° | 59.2° |
| C5 | C6 | NAI | CAV | 173.9° | 180.0° |
| CAT | OAS | CAR | CAQ | 66.2° | 58.7° |
| CAT | OAS | CAR | H16 | 54.1° | 178.6° |
| CAT | OAS | CAR | H17 | 173.5° | 61.3° |
| OAS | CAT | H18 | H19 | 119.3° | 120.1° |
| OAS | CAT | CAU | H20 | 78.6° | 176.7° |
| OAS | CAT | CAU | H21 | 162.4° | 63.1° |
| NAG | C2 | N1 | C6 | 180.0° | 180.0° |
| C2 | NAG | CAQ | CAR | 158.6° | 177.6° |
| C2 | NAG | CAQ | H14 | 80.9° | 62.5° |
| C2 | NAG | CAQ | H15 | 38.1° | 57.7° |
| C2 | NAG | CAU | H20 | 81.7° | 57.7° |
| C2 | NAG | CAU | H21 | 37.3° | 62.4° |
| N1 | C2 | NAG | CAQ | 4.3° | 180.0° |
| C2 | N1 | C6 | NAI | 179.6° | 180.0° |
| NAG | CAQ | CAR | OAS | 40.2° | 56.8° |
| NAG | CAQ | CAR | H14 | 120.5° | 119.9° |
| NAG | CAQ | CAR | H15 | 120.5° | 120.0° |
| NAG | CAQ | H14 | H15 | 118.5° | 120.1° |
| NAG | CAQ | CAR | H16 | 80.1° | 176.8° |
| NAG | CAQ | CAR | H17 | 160.5° | 63.1° |
| CAQ | NAG | CAU | H20 | 100.4° | 178.5° |
| CAQ | NAG | CAU | H21 | 140.6° | 61.3° |
| N1 | C6 | NAI | CAY | 174.8° | 120.8° |
| N1 | C6 | NAI | CAV | 6.4° | 0.0° |
| N1 | C6 | C5 | H1 | 179.4° | 180.0° |
| C6 | NAI | CAY | CAV | 178.9° | 122.2° |
| C6 | NAI | CAY | CAX | 169.5° | 146.4° |
| C6 | NAI | CAV | CAW | 165.5° | 123.3° |
| NAI | C6 | C5 | H1 | 0.2° | 0.0° |
| C6 | NAI | CAV | H6 | 75.4° | 117.4° |
| C6 | NAI | CAV | H7 | 46.4° | 3.8° |
| C6 | NAI | CAY | H12 | 71.5° | 27.5° |
| C6 | NAI | CAY | H13 | 50.5° | 94.8° |
| OAS | CAR | CAQ | H16 | 120.3° | 119.9° |
| OAS | CAR | CAQ | H17 | 120.3° | 120.0° |
| OAS | CAR | CAQ | H14 | 80.3° | 63.1° |
| OAS | CAR | CAQ | H15 | 160.7° | 176.8° |
| OAS | CAR | H16 | H17 | 119.1° | 120.1° |
| CAR | OAS | CAT | H18 | 53.2° | 178.6° |
| CAR | OAS | CAT | H19 | 172.7° | 61.3° |
| NAI | CAY | CAX | H12 | 119.0° | 118.9° |
| NAI | CAY | CAX | H13 | 119.0° | 118.8° |
| NAI | CAY | CAX | CAW | 31.9° | 37.1° |
| CAY | NAI | CAV | CAW | 13.5° | 1.1° |
| CAY | NAI | CAV | H6 | 105.7° | 120.4° |
| CAY | NAI | CAV | H7 | 132.6° | 118.4° |
| NAI | CAY | CAX | H10 | 151.0° | 80.9° |
| NAI | CAY | CAX | H11 | 87.1° | 155.2° |
| NAI | CAY | H12 | H13 | 122.9° | 122.3° |
| CAX | CAY | NAI | CAV | 11.6° | 24.2° |
| CAY | CAX | CAW | H10 | 119.0° | 118.1° |
| CAY | CAX | CAW | H11 | 119.0° | 118.1° |
| CAY | CAX | CAW | CAV | 40.3° | 35.7° |
| CAY | CAX | CAW | H8 | 78.5° | 154.0° |
| CAY | CAX | CAW | H9 | 159.1° | 82.7° |
| CAY | CAX | H10 | H11 | 122.8° | 124.0° |
| CAX | CAY | H12 | H13 | 122.8° | 122.3° |
| NAI | CAV | CAW | CAX | 32.7° | 22.2° |
| NAI | CAV | CAW | H6 | 119.1° | 119.3° |
| NAI | CAV | CAW | H7 | 119.1° | 119.4° |
| NAI | CAV | H6 | H7 | 122.5° | 121.1° |
| NAI | CAV | CAW | H8 | 86.1° | 140.7° |
| NAI | CAV | CAW | H9 | 151.6° | 96.4° |
| CAV | NAI | CAY | H12 | 107.4° | 94.7° |
| CAV | NAI | CAY | H13 | 130.6° | 143.0° |
| CAR | CAQ | H14 | H15 | 118.5° | 120.1° |
| CAQ | CAR | H16 | H17 | 119.0° | 120.1° |
| CAX | CAW | CAV | H8 | 118.9° | 118.4° |
| CAX | CAW | CAV | H9 | 118.8° | 118.6° |
| CAX | CAW | CAV | H6 | 86.4° | 97.1° |
| CAX | CAW | CAV | H7 | 151.8° | 141.6° |
| CAX | CAW | H8 | H9 | 123.4° | 123.4° |
| CAW | CAX | H10 | H11 | 122.8° | 123.8° |
| CAW | CAX | CAY | H12 | 87.1° | 81.8° |
| CAW | CAX | CAY | H13 | 151.0° | 155.9° |
| CAW | CAV | H6 | H7 | 122.6° | 121.2° |
| CAV | CAW | H8 | H9 | 123.3° | 123.0° |
| CAV | CAW | CAX | H10 | 159.3° | 82.5° |
| CAV | CAW | CAX | H11 | 78.8° | 153.8° |
| H6 | CAV | CAW | H8 | 154.8° | 21.4° |
| H6 | CAV | CAW | H9 | 32.5° | 144.3° |
| H7 | CAV | CAW | H8 | 33.0° | 99.9° |
| H7 | CAV | CAW | H9 | 89.3° | 23.0° |
| H8 | CAW | CAX | H10 | 40.5° | 35.9° |
| H8 | CAW | CAX | H11 | 162.4° | 87.8° |
| H9 | CAW | CAX | H10 | 81.8° | 159.2° |
| H9 | CAW | CAX | H11 | 40.1° | 35.4° |
| H10 | CAX | CAY | H12 | 31.9° | 160.2° |
| H10 | CAX | CAY | H13 | 90.0° | 37.9° |
| H11 | CAX | CAY | H12 | 153.8° | 36.3° |
| H11 | CAX | CAY | H13 | 31.9° | 86.0° |
| H14 | CAQ | CAR | H16 | 159.4° | 56.9° |
| H14 | CAQ | CAR | H17 | 40.0° | 177.0° |
| H15 | CAQ | CAR | H16 | 40.4° | 63.3° |
| H15 | CAQ | CAR | H17 | 79.0° | 56.8° |
| H18 | CAT | CAU | H20 | 161.2° | 63.4° |
| H18 | CAT | CAU | H21 | 42.1° | 56.8° |
| H19 | CAT | CAU | H20 | 41.7° | 56.8° |
| H19 | CAT | CAU | H21 | 77.4° | 176.9° |
