01H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.42Å | |
| N1 | HN11 | sing | 1.01Å | 1.00Å | |
| N1 | HN12 | sing | 1.01Å | 1.00Å | |
| C2 | C3 | sing | 1.53Å | 1.48Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | N6 | sing | 1.47Å | 1.45Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| N6 | N7 | sing | 1.45Å | 1.37Å | |
| N6 | HN6 | sing | 1.01Å | 1.00Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| N7 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 109.5° | 111.0° |
| C2 | N1 | HN12 | 109.5° | 111.0° |
| N1 | C2 | C3 | 111.3° | 109.5° |
| N1 | C2 | H21A | 108.9° | 109.5° |
| N1 | C2 | H22A | 108.9° | 109.5° |
| HN11 | N1 | HN12 | 109.4° | 111.0° |
| C3 | C2 | H21A | 108.8° | 109.5° |
| C3 | C2 | H22A | 108.9° | 109.4° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C2 | C3 | H31 | 108.1° | 109.5° |
| C2 | C3 | H32 | 108.1° | 109.4° |
| H21A | C2 | H22A | 110.1° | 109.4° |
| C4 | C3 | H31 | 108.2° | 109.5° |
| C4 | C3 | H32 | 108.2° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.5° |
| C3 | C4 | H41 | 109.3° | 109.5° |
| C3 | C4 | H42 | 109.3° | 109.5° |
| H31 | C3 | H32 | 110.7° | 109.4° |
| C5 | C4 | H41 | 109.3° | 109.4° |
| C5 | C4 | H42 | 109.3° | 109.5° |
| C4 | C5 | N6 | 116.7° | 109.5° |
| C4 | C5 | H51 | 107.1° | 109.4° |
| C4 | C5 | H52 | 107.2° | 109.5° |
| H41 | C4 | H42 | 109.7° | 109.4° |
| N6 | C5 | H51 | 107.1° | 109.5° |
| N6 | C5 | H52 | 107.1° | 109.5° |
| C5 | N6 | N7 | 113.7° | 111.0° |
| C5 | N6 | HN6 | 108.1° | 111.0° |
| H51 | C5 | H52 | 111.7° | 109.5° |
| N7 | N6 | HN6 | 108.1° | 110.9° |
| N6 | N7 | HN7 | 109.5° | 111.0° |
| N6 | N7 | H2 | 109.4° | 111.0° |
| HN7 | N7 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 120.0° | 124.0° |
| N1 | C2 | C3 | H21A | 120.0° | 120.0° |
| N1 | C2 | C3 | H22A | 120.0° | 120.0° |
| N1 | C2 | H21A | H22A | 119.3° | 120.0° |
| N1 | C2 | C3 | C4 | 166.5° | 180.0° |
| N1 | C2 | C3 | H31 | 46.5° | 60.0° |
| N1 | C2 | C3 | H32 | 73.4° | 60.0° |
| HN11 | N1 | C2 | C3 | 180.0° | 180.0° |
| HN11 | N1 | C2 | H21A | 60.0° | 60.0° |
| HN11 | N1 | C2 | H22A | 60.0° | 60.0° |
| HN12 | N1 | C2 | C3 | 60.0° | 56.1° |
| HN12 | N1 | C2 | H21A | 60.0° | 64.0° |
| HN12 | N1 | C2 | H22A | 180.0° | 176.0° |
| C3 | C2 | H21A | H22A | 119.2° | 120.0° |
| C2 | C3 | C4 | H31 | 120.0° | 120.1° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 118.3° | 120.0° |
| C2 | C3 | C4 | C5 | 141.1° | 180.0° |
| C2 | C3 | C4 | H41 | 98.9° | 59.9° |
| C2 | C3 | C4 | H42 | 21.1° | 60.0° |
| H21A | C2 | C3 | C4 | 73.5° | 60.0° |
| H21A | C2 | C3 | H31 | 166.5° | 180.0° |
| H21A | C2 | C3 | H32 | 46.6° | 60.0° |
| H22A | C2 | C3 | C4 | 46.5° | 60.0° |
| H22A | C2 | C3 | H31 | 73.5° | 60.0° |
| H22A | C2 | C3 | H32 | 166.5° | 180.0° |
| C4 | C3 | H31 | H32 | 118.4° | 120.0° |
| C3 | C4 | C5 | H41 | 120.0° | 120.1° |
| C3 | C4 | C5 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H42 | 119.8° | 120.0° |
| C3 | C4 | C5 | N6 | 131.9° | 180.0° |
| C3 | C4 | C5 | H51 | 108.1° | 60.0° |
| C3 | C4 | C5 | H52 | 12.0° | 60.0° |
| H31 | C3 | C4 | C5 | 21.1° | 60.0° |
| H31 | C3 | C4 | H41 | 141.1° | 180.0° |
| H31 | C3 | C4 | H42 | 98.9° | 60.0° |
| H32 | C3 | C4 | C5 | 98.9° | 60.0° |
| H32 | C3 | C4 | H41 | 21.1° | 60.0° |
| H32 | C3 | C4 | H42 | 141.1° | 180.0° |
| C5 | C4 | H41 | H42 | 119.8° | 119.9° |
| C4 | C5 | N6 | H51 | 120.0° | 120.0° |
| C4 | C5 | N6 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H52 | 117.1° | 119.9° |
| C4 | C5 | N6 | N7 | 164.8° | 180.0° |
| C4 | C5 | N6 | HN6 | 44.8° | 56.1° |
| H41 | C4 | C5 | N6 | 11.9° | 60.0° |
| H41 | C4 | C5 | H51 | 131.9° | 180.0° |
| H41 | C4 | C5 | H52 | 108.0° | 60.1° |
| H42 | C4 | C5 | N6 | 108.1° | 59.9° |
| H42 | C4 | C5 | H51 | 11.9° | 60.0° |
| H42 | C4 | C5 | H52 | 132.0° | 180.0° |
| N6 | C5 | H51 | H52 | 117.0° | 120.0° |
| C5 | N6 | N7 | HN6 | 120.0° | 123.9° |
| C5 | N6 | N7 | HN7 | 180.0° | 180.0° |
| C5 | N6 | N7 | H2 | 60.0° | 56.1° |
| H51 | C5 | N6 | N7 | 75.2° | 60.1° |
| H51 | C5 | N6 | HN6 | 164.8° | 176.1° |
| H52 | C5 | N6 | N7 | 44.8° | 60.0° |
| H52 | C5 | N6 | HN6 | 75.2° | 63.9° |
| N6 | N7 | HN7 | H2 | 120.0° | 123.9° |
| HN6 | N6 | N7 | HN7 | 60.0° | 56.1° |
| HN6 | N6 | N7 | H2 | 180.0° | 180.0° |
