TER
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.61Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.38Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.72Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | N5 | sing | 1.47Å | 1.67Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N5 | C6 | sing | 1.47Å | 1.49Å | |
| N5 | HN5 | sing | 1.01Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.63Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | N9 | sing | 1.47Å | 1.85Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| N9 | C10 | sing | 1.47Å | 1.59Å | |
| N9 | HN9 | sing | 1.01Å | 1.02Å | |
| C10 | C11 | sing | 1.53Å | 1.56Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | N14 | sing | 1.47Å | 1.61Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| N14 | HN41 | sing | 1.01Å | 1.02Å | |
| N14 | HN42 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 106.4° | 106.8° |
| C2 | N1 | HN12 | 113.4° | 106.8° |
| N1 | C2 | C3 | 106.4° | 109.5° |
| N1 | C2 | H21 | 113.4° | 109.6° |
| N1 | C2 | H22 | 113.3° | 109.4° |
| HN11 | N1 | HN12 | 113.4° | 106.7° |
| C3 | C2 | H21 | 113.4° | 109.5° |
| C3 | C2 | H22 | 113.4° | 109.4° |
| C2 | C3 | C4 | 92.4° | 109.5° |
| C2 | C3 | H31 | 119.0° | 109.5° |
| C2 | C3 | H32 | 119.0° | 109.4° |
| H21 | C2 | H22 | 97.2° | 109.4° |
| C4 | C3 | H31 | 119.0° | 109.4° |
| C4 | C3 | H32 | 119.0° | 109.5° |
| C3 | C4 | N5 | 136.1° | 109.5° |
| C3 | C4 | H41 | 103.2° | 109.4° |
| C3 | C4 | H42 | 103.1° | 109.5° |
| H31 | C3 | H32 | 91.2° | 109.5° |
| N5 | C4 | H41 | 103.1° | 109.5° |
| N5 | C4 | H42 | 103.1° | 109.4° |
| C4 | N5 | C6 | 85.9° | 106.8° |
| C4 | N5 | HN5 | 121.9° | 106.8° |
| H41 | C4 | H42 | 105.4° | 109.5° |
| C6 | N5 | HN5 | 121.8° | 106.7° |
| N5 | C6 | C7 | 119.9° | 109.5° |
| N5 | C6 | H61 | 108.4° | 109.5° |
| N5 | C6 | H62 | 108.4° | 109.5° |
| C7 | C6 | H61 | 108.5° | 109.5° |
| C7 | C6 | H62 | 108.5° | 109.4° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C6 | C7 | H71 | 112.0° | 109.5° |
| C6 | C7 | H72 | 112.0° | 109.5° |
| H61 | C6 | H62 | 101.5° | 109.5° |
| C8 | C7 | H71 | 112.1° | 109.5° |
| C8 | C7 | H72 | 112.0° | 109.4° |
| C7 | C8 | N9 | 106.2° | 109.5° |
| C7 | C8 | H81 | 113.4° | 109.4° |
| C7 | C8 | H82 | 113.4° | 109.4° |
| H71 | C7 | H72 | 98.4° | 109.4° |
| N9 | C8 | H81 | 113.4° | 109.4° |
| N9 | C8 | H82 | 113.4° | 109.5° |
| C8 | N9 | C10 | 88.4° | 106.8° |
| C8 | N9 | HN9 | 120.7° | 106.7° |
| H81 | C8 | H82 | 97.1° | 109.5° |
| C10 | N9 | HN9 | 120.7° | 106.7° |
| N9 | C10 | C11 | 95.0° | 109.6° |
| N9 | C10 | H101 | 117.9° | 109.4° |
| N9 | C10 | H102 | 117.9° | 109.5° |
| C11 | C10 | H101 | 117.9° | 109.5° |
| C11 | C10 | H102 | 117.9° | 109.5° |
| C10 | C11 | C12 | 126.3° | 109.5° |
| C10 | C11 | H111 | 106.3° | 109.5° |
| C10 | C11 | H112 | 106.3° | 109.4° |
| H101 | C10 | H102 | 92.4° | 109.4° |
| C12 | C11 | H111 | 106.3° | 109.5° |
| C12 | C11 | H112 | 106.3° | 109.5° |
| C11 | C12 | C13 | 125.5° | 109.5° |
| C11 | C12 | H121 | 106.6° | 109.4° |
| C11 | C12 | H122 | 106.5° | 109.5° |
| H111 | C11 | H112 | 103.2° | 109.4° |
| C13 | C12 | H121 | 106.6° | 109.5° |
| C13 | C12 | H122 | 106.6° | 109.5° |
| C12 | C13 | N14 | 117.8° | 109.5° |
| C12 | C13 | H131 | 109.2° | 109.4° |
| C12 | C13 | H132 | 109.2° | 109.5° |
| H121 | C12 | H122 | 103.0° | 109.5° |
| N14 | C13 | H131 | 109.2° | 109.5° |
| N14 | C13 | H132 | 109.2° | 109.4° |
| C13 | N14 | HN41 | 117.8° | 106.7° |
| C13 | N14 | HN42 | 109.2° | 106.7° |
| H131 | C13 | H132 | 100.9° | 109.5° |
| HN41 | N14 | HN42 | 109.1° | 106.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.3° | 113.9° |
| N1 | C2 | C3 | H21 | 125.2° | 120.2° |
| N1 | C2 | C3 | H22 | 125.2° | 119.9° |
| N1 | C2 | H21 | H22 | 119.3° | 119.9° |
| N1 | C2 | C3 | C4 | 29.0° | 179.9° |
| N1 | C2 | C3 | H31 | 96.2° | 59.9° |
| N1 | C2 | C3 | H32 | 154.3° | 60.1° |
| HN11 | N1 | C2 | C3 | 180.0° | 66.1° |
| HN11 | N1 | C2 | H21 | 54.7° | 173.7° |
| HN11 | N1 | C2 | H22 | 54.8° | 53.8° |
| HN12 | N1 | C2 | C3 | 54.7° | 180.0° |
| HN12 | N1 | C2 | H21 | 180.0° | 59.9° |
| HN12 | N1 | C2 | H22 | 70.5° | 60.1° |
| C3 | C2 | H21 | H22 | 119.3° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 124.5° | 120.0° |
| C2 | C3 | C4 | N5 | 138.7° | 180.0° |
| C2 | C3 | C4 | H41 | 96.1° | 60.0° |
| C2 | C3 | C4 | H42 | 13.4° | 60.0° |
| H21 | C2 | C3 | C4 | 154.3° | 59.9° |
| H21 | C2 | C3 | H31 | 29.0° | 179.9° |
| H21 | C2 | C3 | H32 | 80.5° | 60.1° |
| H22 | C2 | C3 | C4 | 96.2° | 60.0° |
| H22 | C2 | C3 | H31 | 138.6° | 60.0° |
| H22 | C2 | C3 | H32 | 29.1° | 180.0° |
| C4 | C3 | H31 | H32 | 124.4° | 120.0° |
| C3 | C4 | N5 | H41 | 125.3° | 120.0° |
| C3 | C4 | N5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 107.8° | 120.0° |
| C3 | C4 | N5 | C6 | 0.5° | 180.0° |
| C3 | C4 | N5 | HN5 | 125.8° | 66.2° |
| H31 | C3 | C4 | N5 | 13.4° | 60.0° |
| H31 | C3 | C4 | H41 | 138.7° | 180.0° |
| H31 | C3 | C4 | H42 | 111.8° | 60.0° |
| H32 | C3 | C4 | N5 | 96.0° | 60.0° |
| H32 | C3 | C4 | H41 | 29.2° | 60.0° |
| H32 | C3 | C4 | H42 | 138.7° | 180.0° |
| N5 | C4 | H41 | H42 | 107.7° | 120.0° |
| C4 | N5 | C6 | HN5 | 125.3° | 113.9° |
| C4 | N5 | C6 | C7 | 17.4° | 180.0° |
| C4 | N5 | C6 | H61 | 107.9° | 60.0° |
| C4 | N5 | C6 | H62 | 142.7° | 60.0° |
| H41 | C4 | N5 | C6 | 125.8° | 60.0° |
| H41 | C4 | N5 | HN5 | 108.9° | 173.8° |
| H42 | C4 | N5 | C6 | 124.7° | 60.0° |
| H42 | C4 | N5 | HN5 | 0.5° | 53.8° |
| N5 | C6 | C7 | H61 | 125.3° | 120.0° |
| N5 | C6 | C7 | H62 | 125.3° | 120.0° |
| N5 | C6 | H61 | H62 | 114.1° | 120.0° |
| N5 | C6 | C7 | C8 | 177.6° | 180.0° |
| N5 | C6 | C7 | H71 | 57.2° | 59.9° |
| N5 | C6 | C7 | H72 | 52.3° | 60.0° |
| HN5 | N5 | C6 | C7 | 107.9° | 66.1° |
| HN5 | N5 | C6 | H61 | 126.8° | 173.9° |
| HN5 | N5 | C6 | H62 | 17.4° | 53.9° |
| C7 | C6 | H61 | H62 | 114.2° | 119.9° |
| C6 | C7 | C8 | H71 | 125.2° | 120.1° |
| C6 | C7 | C8 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 117.9° | 120.0° |
| C6 | C7 | C8 | N9 | 44.5° | 179.9° |
| C6 | C7 | C8 | H81 | 169.7° | 60.0° |
| C6 | C7 | C8 | H82 | 80.8° | 60.0° |
| H61 | C6 | C7 | C8 | 52.3° | 60.0° |
| H61 | C6 | C7 | H71 | 177.6° | 179.9° |
| H61 | C6 | C7 | H72 | 73.0° | 60.0° |
| H62 | C6 | C7 | C8 | 57.2° | 60.0° |
| H62 | C6 | C7 | H71 | 68.1° | 60.1° |
| H62 | C6 | C7 | H72 | 177.6° | 180.0° |
| C8 | C7 | H71 | H72 | 118.0° | 119.9° |
| C7 | C8 | N9 | H81 | 125.3° | 120.0° |
| C7 | C8 | N9 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H82 | 119.4° | 120.0° |
| C7 | C8 | N9 | C10 | 165.7° | 180.0° |
| C7 | C8 | N9 | HN9 | 40.4° | 66.2° |
| H71 | C7 | C8 | N9 | 80.8° | 60.0° |
| H71 | C7 | C8 | H81 | 44.5° | 179.9° |
| H71 | C7 | C8 | H82 | 154.0° | 60.1° |
| H72 | C7 | C8 | N9 | 169.7° | 59.9° |
| H72 | C7 | C8 | H81 | 65.1° | 60.0° |
| H72 | C7 | C8 | H82 | 44.5° | 180.0° |
| N9 | C8 | H81 | H82 | 119.3° | 120.0° |
| C8 | N9 | C10 | HN9 | 125.3° | 113.8° |
| C8 | N9 | C10 | C11 | 118.8° | 180.0° |
| C8 | N9 | C10 | H101 | 6.5° | 60.0° |
| C8 | N9 | C10 | H102 | 116.0° | 59.9° |
| H81 | C8 | N9 | C10 | 40.4° | 60.0° |
| H81 | C8 | N9 | HN9 | 84.9° | 173.8° |
| H82 | C8 | N9 | C10 | 69.1° | 60.0° |
| H82 | C8 | N9 | HN9 | 165.6° | 53.8° |
| N9 | C10 | C11 | H101 | 125.2° | 120.0° |
| N9 | C10 | C11 | H102 | 125.2° | 120.0° |
| N9 | C10 | H101 | H102 | 123.5° | 119.9° |
| N9 | C10 | C11 | C12 | 124.8° | 180.0° |
| N9 | C10 | C11 | H111 | 0.5° | 59.9° |
| N9 | C10 | C11 | H112 | 110.0° | 60.0° |
| HN9 | N9 | C10 | C11 | 6.5° | 66.2° |
| HN9 | N9 | C10 | H101 | 131.8° | 173.8° |
| HN9 | N9 | C10 | H102 | 118.7° | 53.9° |
| C11 | C10 | H101 | H102 | 123.5° | 120.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 111.7° | 119.9° |
| C10 | C11 | C12 | C13 | 118.7° | 180.0° |
| C10 | C11 | C12 | H121 | 116.1° | 60.0° |
| C10 | C11 | C12 | H122 | 6.6° | 60.0° |
| H101 | C10 | C11 | C12 | 110.0° | 59.9° |
| H101 | C10 | C11 | H111 | 124.8° | 180.0° |
| H101 | C10 | C11 | H112 | 15.3° | 60.0° |
| H102 | C10 | C11 | C12 | 0.4° | 60.0° |
| H102 | C10 | C11 | H111 | 125.7° | 60.1° |
| H102 | C10 | C11 | H112 | 124.8° | 180.0° |
| C12 | C11 | H111 | H112 | 111.6° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 112.0° | 120.0° |
| C11 | C12 | C13 | N14 | 150.2° | 180.0° |
| C11 | C12 | C13 | H131 | 25.0° | 60.0° |
| C11 | C12 | C13 | H132 | 84.5° | 60.0° |
| H111 | C11 | C12 | C13 | 6.6° | 60.0° |
| H111 | C11 | C12 | H121 | 118.7° | 180.0° |
| H111 | C11 | C12 | H122 | 131.8° | 60.1° |
| H112 | C11 | C12 | C13 | 116.1° | 60.0° |
| H112 | C11 | C12 | H121 | 9.2° | 60.0° |
| H112 | C11 | C12 | H122 | 118.7° | 179.9° |
| C13 | C12 | H121 | H122 | 112.0° | 120.0° |
| C12 | C13 | N14 | H131 | 125.3° | 120.0° |
| C12 | C13 | N14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 114.9° | 120.0° |
| C12 | C13 | N14 | HN41 | 180.0° | 179.9° |
| C12 | C13 | N14 | HN42 | 54.8° | 66.2° |
| H121 | C12 | C13 | N14 | 84.5° | 60.0° |
| H121 | C12 | C13 | H131 | 150.2° | 179.9° |
| H121 | C12 | C13 | H132 | 40.8° | 59.9° |
| H122 | C12 | C13 | N14 | 25.0° | 60.0° |
| H122 | C12 | C13 | H131 | 100.2° | 60.1° |
| H122 | C12 | C13 | H132 | 150.3° | 179.9° |
| N14 | C13 | H131 | H132 | 114.9° | 120.0° |
| C13 | N14 | HN41 | HN42 | 125.2° | 113.7° |
| H131 | C13 | N14 | HN41 | 54.7° | 59.9° |
| H131 | C13 | N14 | HN42 | 70.5° | 53.8° |
| H132 | C13 | N14 | HN41 | 54.8° | 60.1° |
| H132 | C13 | N14 | HN42 | 179.9° | 173.8° |
