297
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| N1 | HN1A | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| N14 | HN1B | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 109.4° | 109.5° |
| C2 | N1 | HN1 | 109.5° | 111.0° |
| C2 | N1 | HN1A | 109.5° | 111.0° |
| N1 | C2 | H2 | 109.5° | 109.5° |
| N1 | C2 | H2A | 109.5° | 109.5° |
| C2 | C3 | C4 | 110.9° | 109.5° |
| C3 | C2 | H2 | 109.5° | 109.5° |
| C3 | C2 | H2A | 109.5° | 109.5° |
| C2 | C3 | H3 | 109.0° | 109.5° |
| C2 | C3 | H3A | 108.6° | 109.5° |
| C3 | C4 | C5 | 112.8° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C4 | C3 | H3A | 108.7° | 109.5° |
| C3 | C4 | H4 | 108.4° | 109.5° |
| C3 | C4 | H4A | 107.6° | 109.5° |
| C4 | C5 | C6 | 112.2° | 109.5° |
| C5 | C4 | H4 | 108.4° | 109.4° |
| C5 | C4 | H4A | 107.6° | 109.5° |
| C4 | C5 | H5 | 108.5° | 109.4° |
| C4 | C5 | H5A | 107.9° | 109.5° |
| C5 | C6 | C7 | 113.0° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C6 | C5 | H5A | 108.0° | 109.5° |
| C5 | C6 | H6 | 108.3° | 109.5° |
| C5 | C6 | H6A | 107.5° | 109.5° |
| C6 | C7 | C8 | 111.0° | 109.5° |
| C7 | C6 | H6 | 108.3° | 109.4° |
| C7 | C6 | H6A | 107.5° | 109.4° |
| C6 | C7 | H7 | 108.9° | 109.5° |
| C6 | C7 | H7A | 108.6° | 109.5° |
| C7 | C8 | C9 | 112.6° | 109.5° |
| C8 | C7 | H7 | 109.0° | 109.5° |
| C8 | C7 | H7A | 108.6° | 109.4° |
| C7 | C8 | H8 | 108.5° | 109.5° |
| C7 | C8 | H8A | 107.8° | 109.4° |
| C8 | C9 | C10 | 110.2° | 109.4° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | H8A | 107.7° | 109.5° |
| C8 | C9 | H9 | 109.2° | 109.4° |
| C8 | C9 | H9A | 109.1° | 109.4° |
| C9 | C10 | C11 | 112.7° | 109.4° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C10 | C9 | H9A | 109.0° | 109.5° |
| C9 | C10 | H10 | 108.4° | 109.5° |
| C9 | C10 | H10A | 107.7° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C11 | C10 | H10A | 107.7° | 109.5° |
| C10 | C11 | H11 | 108.6° | 109.5° |
| C10 | C11 | H11A | 108.0° | 109.5° |
| C11 | C12 | C13 | 111.3° | 109.5° |
| C12 | C11 | H11 | 108.6° | 109.4° |
| C12 | C11 | H11A | 108.0° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | N14 | 110.4° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | H13 | 109.1° | 109.5° |
| C12 | C13 | H13A | 108.9° | 109.5° |
| N14 | C13 | H13 | 109.2° | 109.5° |
| N14 | C13 | H13A | 108.9° | 109.5° |
| C13 | N14 | HN14 | 109.5° | 111.0° |
| C13 | N14 | HN1B | 109.5° | 111.0° |
| HN1 | N1 | HN1A | 109.5° | 111.1° |
| H2 | C2 | H2A | 109.4° | 109.5° |
| H3 | C3 | H3A | 110.6° | 109.5° |
| H4 | C4 | H4A | 112.1° | 109.5° |
| H5 | C5 | H5A | 111.6° | 109.5° |
| H6 | C6 | H6A | 112.2° | 109.5° |
| H7 | C7 | H7A | 110.7° | 109.4° |
| H8 | C8 | H8A | 111.9° | 109.5° |
| H9 | C9 | H9A | 110.1° | 109.5° |
| H10 | C10 | H10A | 112.0° | 109.5° |
| H11 | C11 | H11A | 111.5° | 109.5° |
| H12 | C12 | H12A | 110.9° | 109.5° |
| H13 | C13 | H13A | 110.2° | 109.5° |
| HN14 | N14 | HN1B | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2 | 120.0° | 120.0° |
| N1 | C2 | C3 | H2A | 120.1° | 120.0° |
| N1 | C2 | C3 | C4 | 60.3° | 180.0° |
| C2 | N1 | HN1 | HN1A | 120.0° | 124.0° |
| N1 | C2 | H2 | H2A | 120.1° | 120.0° |
| N1 | C2 | C3 | H3 | 179.7° | 60.0° |
| N1 | C2 | C3 | H3A | 59.1° | 60.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 119.4° | 120.0° |
| C2 | C3 | C4 | C5 | 65.9° | 180.0° |
| C3 | C2 | N1 | HN1 | 90.9° | 180.0° |
| C3 | C2 | N1 | HN1A | 29.1° | 56.0° |
| C3 | C2 | H2 | H2A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 119.4° | 120.0° |
| C2 | C3 | C4 | H4 | 174.0° | 60.0° |
| C2 | C3 | C4 | H4A | 52.6° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 118.6° | 120.0° |
| C3 | C4 | C5 | C6 | 72.7° | 180.0° |
| C4 | C3 | C2 | H2 | 59.7° | 60.0° |
| C4 | C3 | C2 | H2A | 179.6° | 60.0° |
| C4 | C3 | H3 | H3A | 119.4° | 120.0° |
| C3 | C4 | H4 | H4A | 118.6° | 120.0° |
| C3 | C4 | C5 | H5 | 167.3° | 60.0° |
| C3 | C4 | C5 | H5A | 46.1° | 60.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 118.8° | 120.0° |
| C4 | C5 | C6 | C7 | 71.9° | 180.0° |
| C5 | C4 | C3 | H3 | 54.0° | 60.0° |
| C5 | C4 | C3 | H3A | 174.7° | 60.0° |
| C5 | C4 | H4 | H4A | 118.6° | 120.0° |
| C4 | C5 | H5 | H5A | 118.8° | 120.0° |
| C4 | C5 | C6 | H6 | 48.1° | 60.1° |
| C4 | C5 | C6 | H6A | 169.6° | 60.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 118.5° | 120.1° |
| C5 | C6 | C7 | C8 | 168.2° | 180.0° |
| C6 | C5 | C4 | H4 | 47.3° | 60.0° |
| C6 | C5 | C4 | H4A | 168.7° | 60.0° |
| C6 | C5 | H5 | H5A | 118.9° | 120.0° |
| C5 | C6 | H6 | H6A | 118.6° | 120.1° |
| C5 | C6 | C7 | H7 | 71.8° | 60.0° |
| C5 | C6 | C7 | H7A | 48.8° | 60.0° |
| C6 | C7 | C8 | H7 | 120.0° | 120.1° |
| C6 | C7 | C8 | H7A | 119.3° | 120.0° |
| C6 | C7 | C8 | C9 | 57.8° | 180.0° |
| C7 | C6 | C5 | H5 | 168.1° | 60.0° |
| C7 | C6 | C5 | H5A | 47.0° | 60.0° |
| C7 | C6 | H6 | H6A | 118.6° | 119.9° |
| C6 | C7 | H7 | H7A | 119.4° | 120.0° |
| C6 | C7 | C8 | H8 | 177.9° | 60.0° |
| C6 | C7 | C8 | H8A | 60.8° | 60.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 118.7° | 120.0° |
| C7 | C8 | C9 | C10 | 177.2° | 180.0° |
| C8 | C7 | C6 | H6 | 48.2° | 60.0° |
| C8 | C7 | C6 | H6A | 73.4° | 60.0° |
| C8 | C7 | H7 | H7A | 119.4° | 120.0° |
| C7 | C8 | H8 | H8A | 118.7° | 120.0° |
| C7 | C8 | C9 | H9 | 57.2° | 60.0° |
| C7 | C8 | C9 | H9A | 63.2° | 60.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 119.7° | 119.9° |
| C8 | C9 | C10 | C11 | 178.2° | NaN° |
| C9 | C8 | C7 | H7 | 62.1° | 59.9° |
| C9 | C8 | C7 | H7A | 177.2° | 60.0° |
| C9 | C8 | H8 | H8A | 118.7° | 120.0° |
| C8 | C9 | H9 | H9A | 119.7° | 119.9° |
| C8 | C9 | C10 | H10 | 58.3° | 60.0° |
| C8 | C9 | C10 | H10A | 63.2° | 60.1° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 118.6° | 119.9° |
| C9 | C10 | C11 | C12 | 62.0° | 180.0° |
| C10 | C9 | C8 | H8 | 62.8° | 60.0° |
| C10 | C9 | C8 | H8A | 58.5° | 60.0° |
| C10 | C9 | H9 | H9A | 119.7° | 120.1° |
| C9 | C10 | H10 | H10A | 118.7° | 120.0° |
| C9 | C10 | C11 | H11 | 57.9° | 60.0° |
| C9 | C10 | C11 | H11A | 179.1° | 60.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 118.9° | 120.0° |
| C10 | C11 | C12 | C13 | 170.1° | 180.0° |
| C11 | C10 | C9 | H9 | 61.8° | 60.0° |
| C11 | C10 | C9 | H9A | 58.6° | 60.1° |
| C11 | C10 | H10 | H10A | 118.7° | 120.0° |
| C10 | C11 | H11 | H11A | 118.9° | 120.0° |
| C10 | C11 | C12 | H12 | 50.1° | 60.0° |
| C10 | C11 | C12 | H12A | 70.7° | 60.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 119.3° | 120.0° |
| C11 | C12 | C13 | N14 | 59.9° | 180.0° |
| C12 | C11 | C10 | H10 | 178.0° | 60.0° |
| C12 | C11 | C10 | H10A | 56.6° | 60.0° |
| C12 | C11 | H11 | H11A | 118.9° | 120.0° |
| C11 | C12 | H12 | H12A | 119.3° | 120.0° |
| C11 | C12 | C13 | H13 | 60.1° | 60.0° |
| C11 | C12 | C13 | H13A | 179.5° | 60.0° |
| C12 | C13 | N14 | H13 | 120.0° | 120.0° |
| C12 | C13 | N14 | H13A | 119.6° | 120.0° |
| C13 | C12 | C11 | H11 | 69.9° | 60.1° |
| C13 | C12 | C11 | H11A | 51.2° | 60.0° |
| C13 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C13 | H13 | H13A | 119.6° | 120.0° |
| C12 | C13 | N14 | HN14 | 120.1° | 180.0° |
| C12 | C13 | N14 | HN1B | 0.1° | 56.0° |
| N14 | C13 | C12 | H12 | 179.9° | 60.0° |
| N14 | C13 | C12 | H12A | 59.3° | 60.0° |
| N14 | C13 | H13 | H13A | 119.6° | 120.0° |
| C13 | N14 | HN14 | HN1B | 120.0° | 123.9° |
| HN1 | N1 | C2 | H2 | 29.1° | 60.0° |
| HN1 | N1 | C2 | H2A | 149.0° | 60.0° |
| HN1A | N1 | C2 | H2 | 149.1° | 64.0° |
| HN1A | N1 | C2 | H2A | 91.0° | 176.0° |
| H2 | C2 | C3 | H3 | 60.3° | 180.0° |
| H2 | C2 | C3 | H3A | 179.1° | 60.0° |
| H2A | C2 | C3 | H3 | 59.6° | 60.0° |
| H2A | C2 | C3 | H3A | 61.0° | NaN° |
| H3 | C3 | C4 | H4 | 66.0° | NaN° |
| H3 | C3 | C4 | H4A | 172.6° | 60.0° |
| H3A | C3 | C4 | H4 | 54.7° | 60.0° |
| H3A | C3 | C4 | H4A | 66.8° | 180.0° |
| H4 | C4 | C5 | H5 | 72.7° | 180.0° |
| H4 | C4 | C5 | H5A | 166.1° | 60.0° |
| H4A | C4 | C5 | H5 | 48.7° | 60.0° |
| H4A | C4 | C5 | H5A | 72.4° | 180.0° |
| H5 | C5 | C6 | H6 | 71.9° | 179.9° |
| H5 | C5 | C6 | H6A | 49.6° | 60.0° |
| H5A | C5 | C6 | H6 | 167.0° | 59.9° |
| H5A | C5 | C6 | H6A | 71.5° | 180.0° |
| H6 | C6 | C7 | H7 | 168.2° | 180.0° |
| H6 | C6 | C7 | H7A | 71.2° | 60.0° |
| H6A | C6 | C7 | H7 | 46.7° | 60.1° |
| H6A | C6 | C7 | H7A | 167.3° | 180.0° |
| H7 | C7 | C8 | H8 | 57.9° | 179.9° |
| H7 | C7 | C8 | H8A | 179.2° | 60.1° |
| H7A | C7 | C8 | H8 | 62.8° | 60.0° |
| H7A | C7 | C8 | H8A | 58.5° | 180.0° |
| H8 | C8 | C9 | H9 | 177.2° | 180.0° |
| H8 | C8 | C9 | H9A | 56.8° | 60.0° |
| H8A | C8 | C9 | H9 | 61.5° | 60.0° |
| H8A | C8 | C9 | H9A | 178.2° | 180.0° |
| H9 | C9 | C10 | H10 | 178.3° | 179.9° |
| H9 | C9 | C10 | H10A | 56.8° | 59.9° |
| H9A | C9 | C10 | H10 | 61.4° | 60.0° |
| H9A | C9 | C10 | H10A | 177.1° | 180.0° |
| H10 | C10 | C11 | H11 | 62.0° | 180.0° |
| H10 | C10 | C11 | H11A | 59.1° | 60.0° |
| H10A | C10 | C11 | H11 | 176.6° | 59.9° |
| H10A | C10 | C11 | H11A | 62.3° | 180.0° |
| H11 | C11 | C12 | H12 | 170.1° | 180.0° |
| H11 | C11 | C12 | H12A | 49.3° | 60.0° |
| H11A | C11 | C12 | H12 | 68.8° | 60.0° |
| H11A | C11 | C12 | H12A | 170.5° | 180.0° |
| H12 | C12 | C13 | H13 | 59.9° | NaN° |
| H12 | C12 | C13 | H13A | 60.5° | 60.0° |
| H12A | C12 | C13 | H13 | 179.3° | 60.0° |
| H12A | C12 | C13 | H13A | 60.3° | 180.0° |
| H13 | C13 | N14 | HN14 | 119.9° | 60.0° |
| H13 | C13 | N14 | HN1B | 120.1° | 176.0° |
| H13A | C13 | N14 | HN14 | 0.5° | 60.0° |
| H13A | C13 | N14 | HN1B | 119.5° | 64.0° |
