46W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | doub | 1.30Å | 1.33Å | |
| C | N | sing | 1.37Å | 1.33Å | |
| C | N2 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C6 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N | H9 | sing | 0.97Å | 1.00Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C | N | 118.0° | 120.0° |
| N1 | C | N2 | 121.3° | 120.0° |
| C | N1 | H8 | 112.0° | 120.0° |
| N | C | N2 | 120.7° | 120.0° |
| C | N | H9 | 120.0° | 120.0° |
| C | N | H10 | 120.0° | 120.0° |
| C | N2 | C5 | 124.1° | 120.7° |
| C | N2 | C1 | 123.8° | 120.6° |
| C5 | C4 | C3 | 112.2° | 109.3° |
| C4 | C5 | N2 | 110.9° | 108.8° |
| C5 | C4 | H1 | 108.8° | 109.5° |
| C5 | C4 | H2 | 108.8° | 109.5° |
| C4 | C5 | H3 | 109.1° | 109.6° |
| C4 | C5 | H4 | 109.1° | 109.6° |
| C4 | C3 | C6 | 112.0° | 109.5° |
| C4 | C3 | C2 | 109.3° | 109.5° |
| C3 | C4 | H1 | 108.8° | 109.5° |
| C3 | C4 | H2 | 108.8° | 109.5° |
| C4 | C3 | H11 | 107.8° | 109.5° |
| C5 | N2 | C1 | 112.1° | 118.7° |
| N2 | C5 | H3 | 109.1° | 109.6° |
| N2 | C5 | H4 | 109.1° | 109.7° |
| N2 | C1 | C2 | 111.3° | 108.8° |
| N2 | C1 | H14 | 109.0° | 109.6° |
| N2 | C1 | H15 | 109.0° | 109.6° |
| C6 | C3 | C2 | 111.9° | 109.4° |
| C3 | C6 | H5 | 109.5° | 109.5° |
| C3 | C6 | H6 | 109.4° | 109.5° |
| C3 | C6 | H7 | 109.5° | 109.5° |
| C6 | C3 | H11 | 107.7° | 109.4° |
| C3 | C2 | C1 | 112.1° | 109.3° |
| C2 | C3 | H11 | 107.8° | 109.4° |
| C3 | C2 | H12 | 108.8° | 109.5° |
| C3 | C2 | H13 | 108.8° | 109.5° |
| C1 | C2 | H12 | 108.8° | 109.5° |
| C1 | C2 | H13 | 108.8° | 109.5° |
| C2 | C1 | H14 | 109.0° | 109.6° |
| C2 | C1 | H15 | 109.0° | 109.6° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H9 | N | H10 | 120.0° | 120.0° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C | N | N2 | 179.6° | 179.9° |
| N1 | C | N2 | C5 | 14.4° | 5.6° |
| N1 | C | N2 | C1 | 165.9° | 174.4° |
| N1 | C | N | H9 | 179.6° | 5.4° |
| N1 | C | N | H10 | 0.4° | 174.6° |
| N | C | N2 | C5 | 166.1° | 174.4° |
| N | C | N2 | C1 | 13.7° | 5.7° |
| N | C | N1 | H8 | 179.6° | 174.9° |
| C | N | H9 | H10 | 180.0° | 180.0° |
| C | N2 | C5 | C4 | 123.2° | 126.3° |
| C | N2 | C5 | C1 | 179.8° | 179.9° |
| C | N2 | C1 | C2 | 123.4° | 126.3° |
| C | N2 | C5 | H3 | 116.5° | 113.8° |
| C | N2 | C5 | H4 | 3.1° | 6.5° |
| N2 | C | N1 | H8 | 0.0° | 5.0° |
| N2 | C | N | H9 | 0.0° | 174.7° |
| N2 | C | N | H10 | 180.0° | 5.3° |
| C | N2 | C1 | H14 | 116.3° | 113.8° |
| C | N2 | C1 | H15 | 3.1° | 6.5° |
| C5 | C4 | C3 | H1 | 120.4° | 120.0° |
| C5 | C4 | C3 | H2 | 120.4° | 119.9° |
| C4 | C5 | N2 | H3 | 120.2° | 119.9° |
| C4 | C5 | N2 | H4 | 120.2° | 119.8° |
| C4 | C5 | N2 | C1 | 57.0° | 53.6° |
| C5 | C4 | C3 | C6 | 178.0° | 178.6° |
| C5 | C4 | C3 | C2 | 53.3° | 61.4° |
| C5 | C4 | H1 | H2 | 118.8° | 120.1° |
| C4 | C5 | H3 | H4 | 119.4° | 120.3° |
| C5 | C4 | C3 | H11 | 63.6° | 58.6° |
| C3 | C4 | C5 | N2 | 55.8° | 54.7° |
| C4 | C3 | C6 | C2 | 123.2° | 120.1° |
| C4 | C3 | C6 | H11 | 118.4° | 120.0° |
| C4 | C3 | C2 | H11 | 116.9° | 120.1° |
| C4 | C3 | C2 | C1 | 52.9° | 61.4° |
| C3 | C4 | H1 | H2 | 118.8° | 120.1° |
| C3 | C4 | C5 | H3 | 64.4° | 65.2° |
| C3 | C4 | C5 | H4 | 176.0° | 174.6° |
| C4 | C3 | C6 | H5 | 180.0° | 60.0° |
| C4 | C3 | C6 | H6 | 60.0° | 180.0° |
| C4 | C3 | C6 | H7 | 60.0° | 60.0° |
| C4 | C3 | C2 | H12 | 67.5° | 58.5° |
| C4 | C3 | C2 | H13 | 173.2° | 178.7° |
| C5 | N2 | C1 | C2 | 56.8° | 53.6° |
| N2 | C5 | C4 | H1 | 64.6° | 65.3° |
| N2 | C5 | C4 | H2 | 176.2° | 174.6° |
| N2 | C5 | H3 | H4 | 119.4° | 120.4° |
| C5 | N2 | C1 | H14 | 63.5° | 66.2° |
| C5 | N2 | C1 | H15 | 177.1° | 173.4° |
| N2 | C1 | C2 | C3 | 55.1° | 54.6° |
| N2 | C1 | C2 | H14 | 120.3° | 119.8° |
| N2 | C1 | C2 | H15 | 120.3° | 119.8° |
| C1 | N2 | C5 | H3 | 63.2° | 66.2° |
| C1 | N2 | C5 | H4 | 177.2° | 173.5° |
| N2 | C1 | C2 | H12 | 65.3° | 65.3° |
| N2 | C1 | C2 | H13 | 175.5° | 174.6° |
| N2 | C1 | H14 | H15 | 119.1° | 120.4° |
| C6 | C3 | C2 | H11 | 118.3° | 119.9° |
| C6 | C3 | C2 | C1 | 177.6° | 178.6° |
| C6 | C3 | C4 | H1 | 57.6° | 61.4° |
| C6 | C3 | C4 | H2 | 61.6° | 58.7° |
| C3 | C6 | H5 | H6 | 120.0° | 120.0° |
| C3 | C6 | H5 | H7 | 120.0° | 120.0° |
| C3 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C3 | C2 | H12 | 57.2° | 61.5° |
| C6 | C3 | C2 | H13 | 62.0° | 58.6° |
| C3 | C2 | C1 | H12 | 120.4° | 119.9° |
| C3 | C2 | C1 | H13 | 120.4° | 120.0° |
| C2 | C3 | C4 | H1 | 67.1° | 58.6° |
| C2 | C3 | C4 | H2 | 173.7° | 178.7° |
| C2 | C3 | C6 | H5 | 56.8° | 179.9° |
| C2 | C3 | C6 | H6 | 63.2° | 59.9° |
| C2 | C3 | C6 | H7 | 176.8° | 60.1° |
| C3 | C2 | H12 | H13 | 118.8° | 120.1° |
| C3 | C2 | C1 | H14 | 65.2° | 65.2° |
| C3 | C2 | C1 | H15 | 175.4° | 174.4° |
| C1 | C2 | C3 | H11 | 64.1° | 58.7° |
| C1 | C2 | H12 | H13 | 118.8° | 120.1° |
| C2 | C1 | H14 | H15 | 119.2° | 120.3° |
| H1 | C4 | C5 | H3 | 175.2° | 174.9° |
| H1 | C4 | C5 | H4 | 55.6° | 54.6° |
| H1 | C4 | C3 | H11 | 176.0° | 178.6° |
| H2 | C4 | C5 | H3 | 56.0° | 54.8° |
| H2 | C4 | C5 | H4 | 63.6° | 65.5° |
| H2 | C4 | C3 | H11 | 56.8° | 61.3° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H5 | C6 | C3 | H11 | 61.6° | 60.0° |
| H6 | C6 | C3 | H11 | 178.4° | 60.0° |
| H7 | C6 | C3 | H11 | 58.4° | 180.0° |
| H11 | C3 | C2 | H12 | 175.5° | 178.6° |
| H11 | C3 | C2 | H13 | 56.3° | 61.3° |
| H12 | C2 | C1 | H14 | 174.4° | 174.9° |
| H12 | C2 | C1 | H15 | 55.0° | 54.5° |
| H13 | C2 | C1 | H14 | 55.2° | 54.8° |
| H13 | C2 | C1 | H15 | 64.2° | 65.6° |
