LN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.42Å | 1.53Å | |
| C6 | C9 | sing | 1.42Å | 1.33Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| CG | C9 | doub | 1.37Å | 1.33Å | Aromatic |
| CG | CD1 | sing | 1.42Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE1 | CD1 | doub | 1.36Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | sing | 1.41Å | 1.39Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å | |
| CE2 | CZ | doub | 1.34Å | 1.39Å | Aromatic |
| CE2 | ND2 | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| ND2 | CG | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | ND2 | sing | 1.36Å | 1.40Å | Aromatic |
| N4 | C5 | sing | 1.38Å | 1.33Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| C3 | N4 | sing | 1.47Å | 1.47Å | |
| C3 | C3A | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3A | O3A | sing | 1.34Å | 1.25Å | |
| O3A | HO3A | sing | 0.97Å | 0.95Å | |
| O3B | C3A | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | CG2 | sing | 1.53Å | 1.53Å | |
| S1 | C2 | sing | 1.81Å | 1.83Å | |
| O12 | S1 | sing | 1.52Å | 1.43Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O13 | S1 | doub | 1.42Å | 1.50Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å | |
| CG1 | C2 | sing | 1.53Å | 1.52Å | |
| CG1 | OAV | sing | 1.45Å | 1.43Å | |
| CG1 | HG1 | sing | 1.09Å | 1.10Å | |
| CG1 | HG1A | sing | 1.09Å | 1.10Å | |
| CAX | OAV | sing | 1.34Å | 1.36Å | |
| OAD | CAX | doub | 1.21Å | 1.23Å | |
| CAS | CAX | sing | 1.51Å | 1.53Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAY | CAS | sing | 1.51Å | 1.53Å | |
| CAY | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAZ | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| OAH | CAZ | sing | 1.36Å | 1.36Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å | |
| CBA | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CBA | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| OAI | CBA | sing | 1.36Å | 1.36Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C7 | H7 | 116.5° | 120.0° |
| O8 | C7 | C6 | 127.0° | 120.0° |
| H7 | C7 | C6 | 116.5° | 120.0° |
| C7 | C6 | C9 | 122.5° | 126.5° |
| C7 | C6 | C5 | 124.4° | 126.5° |
| C6 | C9 | H9 | 125.5° | 126.4° |
| C6 | C9 | CG | 109.0° | 107.3° |
| C9 | C6 | C5 | 112.5° | 107.0° |
| H9 | C9 | CG | 125.5° | 126.4° |
| C9 | CG | CD1 | 132.2° | 131.7° |
| C9 | CG | ND2 | 106.4° | 108.6° |
| CG | CD1 | HD1 | 120.4° | 120.3° |
| CG | CD1 | CE1 | 119.1° | 119.4° |
| CD1 | CG | ND2 | 121.4° | 119.6° |
| HD1 | CD1 | CE1 | 120.4° | 120.3° |
| CD1 | CE1 | HE1 | 120.1° | 120.1° |
| CD1 | CE1 | CZ | 119.7° | 119.9° |
| HE1 | CE1 | CZ | 120.2° | 120.0° |
| CE1 | CZ | HZ | 119.3° | 119.6° |
| CE1 | CZ | CE2 | 121.4° | 120.7° |
| HZ | CZ | CE2 | 119.3° | 119.7° |
| CZ | CE2 | ND2 | 119.2° | 120.7° |
| CZ | CE2 | HE2 | 120.4° | 119.6° |
| ND2 | CE2 | HE2 | 120.4° | 119.7° |
| CE2 | ND2 | CG | 119.1° | 119.8° |
| CE2 | ND2 | C5 | 130.3° | 131.3° |
| CG | ND2 | C5 | 110.5° | 108.9° |
| C6 | C5 | ND2 | 101.6° | 108.2° |
| C6 | C5 | N4 | 121.5° | 125.9° |
| ND2 | C5 | N4 | 136.7° | 126.0° |
| C5 | N4 | HN4 | 106.3° | 111.0° |
| C5 | N4 | C3 | 119.4° | 111.0° |
| HN4 | N4 | C3 | 106.3° | 111.0° |
| N4 | C3 | C3A | 110.4° | 109.5° |
| N4 | C3 | H3 | 109.4° | 109.4° |
| N4 | C3 | C2 | 109.7° | 109.4° |
| C3A | C3 | H3 | 107.4° | 109.5° |
| C3 | C3A | O3A | 117.9° | 120.0° |
| C3 | C3A | O3B | 116.8° | 120.0° |
| C3A | C3 | C2 | 111.7° | 109.5° |
| H3 | C3 | C2 | 108.1° | 109.5° |
| C3A | O3A | HO3A | 109.5° | 117.0° |
| O3A | C3A | O3B | 125.2° | 120.0° |
| C3 | C2 | CG2 | 111.9° | 109.5° |
| C3 | C2 | S1 | 108.7° | 109.5° |
| C3 | C2 | CG1 | 108.3° | 109.4° |
| CG2 | C2 | S1 | 108.4° | 109.5° |
| C2 | CG2 | HG2 | 109.5° | 109.5° |
| C2 | CG2 | HG2A | 109.4° | 109.4° |
| C2 | CG2 | HG2B | 109.4° | 109.5° |
| CG2 | C2 | CG1 | 110.8° | 109.4° |
| C2 | S1 | O12 | 109.2° | 103.0° |
| C2 | S1 | O13 | 104.1° | 109.5° |
| S1 | C2 | CG1 | 108.7° | 109.4° |
| S1 | O12 | HO12 | 109.5° | 114.0° |
| O12 | S1 | O13 | 108.9° | 103.0° |
| HG2 | CG2 | HG2A | 109.5° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
| C2 | CG1 | OAV | 109.0° | 109.5° |
| C2 | CG1 | HG1 | 109.6° | 109.4° |
| C2 | CG1 | HG1A | 109.7° | 109.4° |
| OAV | CG1 | HG1 | 109.6° | 109.5° |
| OAV | CG1 | HG1A | 109.8° | 109.5° |
| CG1 | OAV | CAX | 108.7° | 117.0° |
| HG1 | CG1 | HG1A | 109.1° | 109.5° |
| OAV | CAX | OAD | 120.3° | 120.0° |
| OAV | CAX | CAS | 118.6° | 120.0° |
| OAD | CAX | CAS | 121.1° | 120.0° |
| CAX | CAS | HAS | 110.0° | 109.5° |
| CAX | CAS | HASA | 110.4° | 109.5° |
| CAX | CAS | CAY | 107.8° | 109.4° |
| HAS | CAS | HASA | 108.2° | 109.5° |
| HAS | CAS | CAY | 110.1° | 109.5° |
| HASA | CAS | CAY | 110.4° | 109.5° |
| CAS | CAY | CAM | 120.1° | 120.0° |
| CAS | CAY | CAQ | 119.6° | 119.9° |
| CAM | CAY | CAQ | 120.3° | 120.1° |
| CAY | CAM | HAM | 120.1° | 119.9° |
| CAY | CAM | CAN | 119.9° | 120.2° |
| CAY | CAQ | HAQ | 120.1° | 120.0° |
| CAY | CAQ | CBA | 119.8° | 120.0° |
| HAQ | CAQ | CBA | 120.1° | 120.0° |
| HAM | CAM | CAN | 120.1° | 119.9° |
| CAM | CAN | HAN | 120.0° | 120.0° |
| CAM | CAN | CAZ | 120.0° | 120.0° |
| HAN | CAN | CAZ | 120.0° | 120.0° |
| CAN | CAZ | OAH | 118.9° | 120.1° |
| CAN | CAZ | CBA | 120.0° | 119.9° |
| CAZ | OAH | HOAH | 109.5° | 114.0° |
| OAH | CAZ | CBA | 121.1° | 120.1° |
| CAQ | CBA | CAZ | 120.0° | 119.9° |
| CAQ | CBA | OAI | 118.6° | 120.1° |
| CAZ | CBA | OAI | 121.4° | 120.1° |
| CBA | OAI | HOAI | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C7 | H7 | C6 | 180.0° | 179.7° |
| O8 | C7 | C6 | C9 | 172.6° | 0.1° |
| O8 | C7 | C6 | C5 | 2.5° | 179.7° |
| H7 | C7 | C6 | C9 | 7.4° | 179.7° |
| H7 | C7 | C6 | C5 | 177.5° | 0.0° |
| C7 | C6 | C9 | C5 | 171.2° | 179.7° |
| C7 | C6 | C9 | H9 | 9.0° | 0.1° |
| C7 | C6 | C9 | CG | 171.0° | 179.9° |
| C7 | C6 | C5 | ND2 | 169.9° | 179.9° |
| C7 | C6 | C5 | N4 | 5.5° | 0.1° |
| C6 | C9 | H9 | CG | 180.0° | 179.9° |
| C6 | C9 | CG | CD1 | 179.7° | 180.0° |
| C6 | C9 | CG | ND2 | 0.8° | 0.0° |
| C9 | C6 | C5 | ND2 | 1.1° | 0.4° |
| C9 | C6 | C5 | N4 | 176.5° | 179.7° |
| H9 | C9 | CG | CD1 | 0.3° | 0.1° |
| H9 | C9 | CG | ND2 | 179.2° | 179.9° |
| H9 | C9 | C6 | C5 | 179.8° | 179.8° |
| C9 | CG | CD1 | ND2 | 179.5° | 180.0° |
| C9 | CG | CD1 | HD1 | 0.8° | 0.0° |
| C9 | CG | CD1 | CE1 | 179.2° | 180.0° |
| C9 | CG | ND2 | CE2 | 178.6° | 180.0° |
| CG | C9 | C6 | C5 | 0.2° | 0.2° |
| C9 | CG | ND2 | C5 | 1.5° | 0.2° |
| CG | CD1 | HD1 | CE1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | HE1 | 179.6° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.4° | 0.0° |
| CD1 | CG | ND2 | CE2 | 0.9° | 0.0° |
| CD1 | CG | ND2 | C5 | 178.9° | 179.8° |
| HD1 | CD1 | CE1 | HE1 | 0.3° | 0.0° |
| HD1 | CD1 | CE1 | CZ | 179.6° | 180.0° |
| HD1 | CD1 | CG | ND2 | 179.7° | 180.0° |
| CD1 | CE1 | HE1 | CZ | 180.0° | 180.0° |
| CD1 | CE1 | CZ | HZ | 179.7° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.3° | 0.0° |
| CE1 | CD1 | CG | ND2 | 0.2° | 0.0° |
| HE1 | CE1 | CZ | HZ | 0.3° | 0.0° |
| HE1 | CE1 | CZ | CE2 | 179.7° | 180.0° |
| CE1 | CZ | HZ | CE2 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | ND2 | 0.4° | 0.0° |
| CE1 | CZ | CE2 | HE2 | 179.6° | 180.0° |
| HZ | CZ | CE2 | ND2 | 179.6° | 180.0° |
| HZ | CZ | CE2 | HE2 | 0.4° | 0.0° |
| CZ | CE2 | ND2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | ND2 | CG | 1.0° | 0.0° |
| CZ | CE2 | ND2 | C5 | 178.8° | 179.7° |
| CE2 | ND2 | CG | C5 | 179.9° | 179.8° |
| CE2 | ND2 | C5 | C6 | 178.6° | 179.9° |
| CE2 | ND2 | C5 | N4 | 4.4° | 0.0° |
| HE2 | CE2 | ND2 | CG | 179.0° | 180.0° |
| HE2 | CE2 | ND2 | C5 | 1.2° | 0.3° |
| CG | ND2 | C5 | C6 | 1.5° | 0.4° |
| CG | ND2 | C5 | N4 | 175.8° | 179.8° |
| C6 | C5 | ND2 | N4 | 174.3° | 179.9° |
| C6 | C5 | N4 | HN4 | 5.7° | 64.7° |
| C6 | C5 | N4 | C3 | 125.7° | 171.4° |
| ND2 | C5 | N4 | HN4 | 179.1° | 115.4° |
| ND2 | C5 | N4 | C3 | 60.9° | 8.5° |
| C5 | N4 | HN4 | C3 | 128.2° | 123.9° |
| C5 | N4 | C3 | C3A | 65.9° | 83.7° |
| C5 | N4 | C3 | H3 | 52.1° | 36.3° |
| C5 | N4 | C3 | C2 | 170.5° | 156.2° |
| HN4 | N4 | C3 | C3A | 54.1° | 40.2° |
| HN4 | N4 | C3 | H3 | 172.1° | 160.2° |
| HN4 | N4 | C3 | C2 | 69.4° | 79.8° |
| N4 | C3 | C3A | H3 | 119.2° | 120.0° |
| N4 | C3 | C3A | C2 | 122.4° | 120.0° |
| N4 | C3 | H3 | C2 | 119.5° | 119.9° |
| N4 | C3 | C3A | O3A | 39.8° | 180.0° |
| N4 | C3 | C3A | O3B | 141.3° | 0.0° |
| N4 | C3 | C2 | CG2 | 70.3° | 55.1° |
| N4 | C3 | C2 | S1 | 49.4° | 65.0° |
| N4 | C3 | C2 | CG1 | 167.4° | 175.0° |
| C3A | C3 | H3 | C2 | 120.7° | 120.1° |
| C3 | C3A | O3A | O3B | 178.7° | 180.0° |
| C3 | C3A | O3A | HO3A | 178.8° | 180.0° |
| C3A | C3 | C2 | CG2 | 52.6° | 64.9° |
| C3A | C3 | C2 | S1 | 172.2° | 175.0° |
| C3A | C3 | C2 | CG1 | 69.8° | 55.0° |
| H3 | C3 | C3A | O3A | 159.0° | 60.0° |
| H3 | C3 | C3A | O3B | 22.1° | 120.0° |
| H3 | C3 | C2 | CG2 | 170.5° | 175.0° |
| H3 | C3 | C2 | S1 | 69.9° | 54.9° |
| H3 | C3 | C2 | CG1 | 48.1° | 65.0° |
| O3A | C3A | C3 | C2 | 82.6° | 60.0° |
| HO3A | O3A | C3A | O3B | 0.0° | 0.0° |
| O3B | C3A | C3 | C2 | 96.3° | 119.9° |
| C3 | C2 | CG2 | S1 | 119.8° | 120.1° |
| C3 | C2 | CG2 | CG1 | 120.9° | 120.0° |
| C3 | C2 | S1 | CG1 | 117.7° | 120.0° |
| C3 | C2 | S1 | O12 | 166.6° | 60.0° |
| C3 | C2 | S1 | O13 | 50.5° | 49.1° |
| C3 | C2 | CG2 | HG2 | 174.8° | 60.1° |
| C3 | C2 | CG2 | HG2A | 65.2° | 180.0° |
| C3 | C2 | CG2 | HG2B | 54.7° | 59.9° |
| C3 | C2 | CG1 | OAV | 62.7° | 180.0° |
| C3 | C2 | CG1 | HG1 | 177.3° | 60.0° |
| C3 | C2 | CG1 | HG1A | 57.5° | 60.0° |
| CG2 | C2 | S1 | CG1 | 120.5° | 120.0° |
| CG2 | C2 | S1 | O12 | 71.6° | 180.0° |
| CG2 | C2 | S1 | O13 | 172.3° | 70.9° |
| C2 | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| C2 | CG2 | HG2 | HG2B | 120.0° | 120.0° |
| C2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| CG2 | C2 | CG1 | OAV | 60.3° | 60.0° |
| CG2 | C2 | CG1 | HG1 | 59.7° | 180.0° |
| CG2 | C2 | CG1 | HG1A | 179.5° | 60.0° |
| C2 | S1 | O12 | O13 | 113.0° | 113.9° |
| C2 | S1 | O12 | HO12 | 114.2° | 180.0° |
| S1 | C2 | CG2 | HG2 | 54.9° | 60.0° |
| S1 | C2 | CG2 | HG2A | 174.9° | 60.0° |
| S1 | C2 | CG2 | HG2B | 65.1° | 180.0° |
| S1 | C2 | CG1 | OAV | 179.3° | 60.0° |
| S1 | C2 | CG1 | HG1 | 59.3° | 60.0° |
| S1 | C2 | CG1 | HG1A | 60.5° | 180.0° |
| O12 | S1 | C2 | CG1 | 48.9° | 60.0° |
| HO12 | O12 | S1 | O13 | 1.2° | 66.1° |
| O13 | S1 | C2 | CG1 | 67.2° | 169.1° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
| HG2 | CG2 | C2 | CG1 | 64.3° | 180.0° |
| HG2A | CG2 | C2 | CG1 | 55.7° | 60.0° |
| HG2B | CG2 | C2 | CG1 | 175.7° | 60.0° |
| C2 | CG1 | OAV | HG1 | 120.0° | 120.0° |
| C2 | CG1 | OAV | HG1A | 120.2° | 120.0° |
| C2 | CG1 | HG1 | HG1A | 120.2° | 120.0° |
| C2 | CG1 | OAV | CAX | 172.5° | 180.0° |
| OAV | CG1 | HG1 | HG1A | 120.2° | 120.0° |
| CG1 | OAV | CAX | OAD | 54.3° | 0.1° |
| CG1 | OAV | CAX | CAS | 126.5° | 180.0° |
| HG1 | CG1 | OAV | CAX | 52.5° | 60.0° |
| HG1A | CG1 | OAV | CAX | 67.3° | 60.1° |
| OAV | CAX | OAD | CAS | 179.2° | 179.9° |
| OAV | CAX | CAS | HAS | 49.0° | 59.9° |
| OAV | CAX | CAS | HASA | 70.4° | 60.1° |
| OAV | CAX | CAS | CAY | 169.0° | 180.0° |
| OAD | CAX | CAS | HAS | 130.3° | 120.0° |
| OAD | CAX | CAS | HASA | 110.4° | 120.0° |
| OAD | CAX | CAS | CAY | 10.3° | 0.1° |
| CAX | CAS | HAS | HASA | 120.7° | 120.0° |
| CAX | CAS | HAS | CAY | 118.6° | 120.0° |
| CAX | CAS | HASA | CAY | 119.1° | 120.0° |
| CAX | CAS | CAY | CAM | 103.5° | 90.1° |
| CAX | CAS | CAY | CAQ | 74.0° | 89.7° |
| HAS | CAS | HASA | CAY | 120.5° | 120.0° |
| HAS | CAS | CAY | CAM | 16.5° | 29.9° |
| HAS | CAS | CAY | CAQ | 166.0° | 150.3° |
| HASA | CAS | CAY | CAM | 135.9° | 149.9° |
| HASA | CAS | CAY | CAQ | 46.7° | 30.3° |
| CAS | CAY | CAM | CAQ | 177.4° | 179.8° |
| CAS | CAY | CAQ | HAQ | 2.7° | 0.0° |
| CAS | CAY | CAM | HAM | 2.7° | 0.1° |
| CAS | CAY | CAM | CAN | 177.3° | 180.0° |
| CAS | CAY | CAQ | CBA | 177.3° | 179.9° |
| CAM | CAY | CAQ | HAQ | 179.9° | 179.8° |
| CAY | CAM | HAM | CAN | 180.0° | 179.9° |
| CAY | CAM | CAN | HAN | 180.0° | 180.0° |
| CAY | CAM | CAN | CAZ | 0.1° | 0.1° |
| CAM | CAY | CAQ | CBA | 0.1° | 0.3° |
| CAY | CAQ | HAQ | CBA | 180.0° | 179.9° |
| CAQ | CAY | CAM | HAM | 179.9° | 179.7° |
| CAQ | CAY | CAM | CAN | 0.1° | 0.2° |
| CAY | CAQ | CBA | CAZ | 0.1° | 0.0° |
| CAY | CAQ | CBA | OAI | 179.0° | 180.0° |
| HAQ | CAQ | CBA | CAZ | 179.9° | 180.0° |
| HAQ | CAQ | CBA | OAI | 1.0° | 0.1° |
| HAM | CAM | CAN | HAN | 0.0° | 0.1° |
| HAM | CAM | CAN | CAZ | 180.0° | 180.0° |
| CAM | CAN | HAN | CAZ | 180.0° | 179.9° |
| CAM | CAN | CAZ | OAH | 177.3° | 179.9° |
| CAM | CAN | CAZ | CBA | 0.0° | 0.4° |
| HAN | CAN | CAZ | OAH | 2.6° | 0.0° |
| HAN | CAN | CAZ | CBA | 180.0° | 179.7° |
| CAN | CAZ | OAH | CBA | 177.3° | 179.7° |
| CAN | CAZ | OAH | HOAH | 177.4° | 90.0° |
| CAN | CAZ | CBA | CAQ | 0.0° | 0.3° |
| CAN | CAZ | CBA | OAI | 178.9° | 179.7° |
| OAH | CAZ | CBA | CAQ | 177.3° | 180.0° |
| OAH | CAZ | CBA | OAI | 1.6° | 0.0° |
| HOAH | OAH | CAZ | CBA | 5.3° | 90.3° |
| CAQ | CBA | CAZ | OAI | 178.9° | 180.0° |
| CAQ | CBA | OAI | HOAI | 113.8° | 90.0° |
| CAZ | CBA | OAI | HOAI | 67.3° | 90.0° |
