04S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | N29 | sing | 1.47Å | 1.45Å | |
| N29 | HN29 | sing | 1.01Å | 1.00Å | |
| C34 | C30 | sing | 1.55Å | 1.52Å | |
| C30 | C31 | sing | 1.54Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| N32 | C31 | sing | 1.48Å | 1.47Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | N32 | sing | 1.49Å | 1.47Å | |
| N32 | HN32 | sing | 1.01Å | 1.00Å | |
| C33 | C34 | sing | 1.55Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| N29 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | N29 | HN29 | 109.5° | 111.0° |
| N29 | C30 | C34 | 112.8° | 110.3° |
| N29 | C30 | C31 | 109.7° | 110.3° |
| N29 | C30 | H30 | 112.0° | 110.3° |
| C30 | N29 | H2 | 109.5° | 111.0° |
| HN29 | N29 | H2 | 109.5° | 111.0° |
| C34 | C30 | C31 | 99.9° | 105.1° |
| C34 | C30 | H30 | 110.9° | 110.4° |
| C30 | C34 | C33 | 102.4° | 103.0° |
| C30 | C34 | H34 | 111.2° | 110.7° |
| C30 | C34 | H34A | 111.2° | 110.7° |
| C31 | C30 | H30 | 110.9° | 110.3° |
| C30 | C31 | N32 | 103.9° | 107.0° |
| C30 | C31 | H31 | 110.8° | 109.9° |
| C30 | C31 | H31A | 110.8° | 109.9° |
| N32 | C31 | H31 | 110.8° | 109.9° |
| N32 | C31 | H31A | 110.9° | 110.1° |
| C31 | N32 | C33 | 106.3° | 105.9° |
| C31 | N32 | HN32 | 110.3° | 111.0° |
| H31 | C31 | H31A | 109.5° | 109.9° |
| C33 | N32 | HN32 | 110.2° | 110.9° |
| N32 | C33 | C34 | 106.8° | 103.2° |
| N32 | C33 | H33 | 110.1° | 110.7° |
| N32 | C33 | H33A | 110.1° | 110.7° |
| C34 | C33 | H33 | 110.1° | 110.6° |
| C34 | C33 | H33A | 110.1° | 110.7° |
| C33 | C34 | H34 | 111.2° | 110.7° |
| C33 | C34 | H34A | 111.2° | 110.7° |
| H33 | C33 | H33A | 109.5° | 110.7° |
| H34 | C34 | H34A | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | N29 | HN29 | H2 | 120.0° | 124.0° |
| N29 | C30 | C34 | C31 | 116.4° | 118.9° |
| N29 | C30 | C34 | H30 | 126.6° | 122.1° |
| N29 | C30 | C31 | H30 | 124.2° | 122.1° |
| N29 | C30 | C31 | N32 | 163.4° | 117.7° |
| N29 | C30 | C31 | H31 | 77.5° | 123.0° |
| N29 | C30 | C31 | H31A | 44.3° | 1.9° |
| N29 | C30 | C34 | C33 | 156.9° | 140.9° |
| N29 | C30 | C34 | H34 | 38.1° | 22.5° |
| N29 | C30 | C34 | H34A | 84.2° | 100.7° |
| HN29 | N29 | C30 | C34 | 180.0° | 177.2° |
| HN29 | N29 | C30 | C31 | 69.6° | 61.4° |
| HN29 | N29 | C30 | H30 | 54.0° | 60.6° |
| C34 | C30 | C31 | H30 | 117.1° | 119.0° |
| C34 | C30 | C31 | N32 | 44.7° | 1.2° |
| C34 | C30 | C31 | H31 | 163.8° | 118.1° |
| C34 | C30 | C31 | H31A | 74.4° | 120.8° |
| C30 | C34 | C33 | N32 | 23.2° | 37.4° |
| C30 | C34 | C33 | H34 | 118.9° | 118.3° |
| C30 | C34 | C33 | H34A | 118.9° | 118.4° |
| C30 | C34 | C33 | H33 | 96.4° | 81.0° |
| C30 | C34 | C33 | H33A | 142.7° | 155.8° |
| C30 | C34 | H34 | H34A | 123.3° | 123.2° |
| C34 | C30 | N29 | H2 | 60.0° | 58.9° |
| C30 | C31 | N32 | H31 | 119.1° | 119.3° |
| C30 | C31 | N32 | H31A | 119.1° | 119.5° |
| C30 | C31 | H31 | H31A | 122.6° | 121.1° |
| C30 | C31 | N32 | C33 | 31.0° | 25.3° |
| C30 | C31 | N32 | HN32 | 88.5° | 145.8° |
| C31 | C30 | C34 | C33 | 40.5° | 21.9° |
| C31 | C30 | C34 | H34 | 78.3° | 96.4° |
| C31 | C30 | C34 | H34A | 159.4° | 140.3° |
| C31 | C30 | N29 | H2 | 170.4° | 174.6° |
| H30 | C30 | C31 | N32 | 72.4° | 120.2° |
| H30 | C30 | C31 | H31 | 46.7° | 0.9° |
| H30 | C30 | C31 | H31A | 168.5° | 120.2° |
| H30 | C30 | C34 | C33 | 76.5° | 97.0° |
| H30 | C30 | C34 | H34 | 164.6° | 144.6° |
| H30 | C30 | C34 | H34A | 42.4° | 21.4° |
| H30 | C30 | N29 | H2 | 66.0° | 63.3° |
| N32 | C31 | H31 | H31A | 122.6° | 121.3° |
| C31 | N32 | C33 | HN32 | 119.5° | 120.6° |
| C31 | N32 | C33 | C34 | 4.7° | 39.2° |
| C31 | N32 | C33 | H33 | 124.3° | 79.2° |
| C31 | N32 | C33 | H33A | 114.9° | 157.6° |
| H31 | C31 | N32 | C33 | 150.1° | 94.0° |
| H31 | C31 | N32 | HN32 | 30.6° | 26.5° |
| H31A | C31 | N32 | C33 | 88.1° | 144.8° |
| H31A | C31 | N32 | HN32 | 152.4° | 94.7° |
| N32 | C33 | C34 | H33 | 119.6° | 118.4° |
| N32 | C33 | C34 | H33A | 119.6° | 118.5° |
| N32 | C33 | H33 | H33A | 121.2° | 123.1° |
| N32 | C33 | C34 | H34 | 95.7° | 80.9° |
| N32 | C33 | C34 | H34A | 142.0° | 155.8° |
| HN32 | N32 | C33 | C34 | 114.7° | 159.7° |
| HN32 | N32 | C33 | H33 | 4.9° | 41.3° |
| HN32 | N32 | C33 | H33A | 125.7° | 81.8° |
| C34 | C33 | H33 | H33A | 121.2° | 123.1° |
| C33 | C34 | H34 | H34A | 123.3° | 123.3° |
| H33 | C33 | C34 | H34 | 144.7° | 160.7° |
| H33 | C33 | C34 | H34A | 22.4° | 37.4° |
| H33A | C33 | C34 | H34 | 23.9° | 37.5° |
| H33A | C33 | C34 | H34A | 98.4° | 85.8° |
