SPM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | N5 | sing | 1.47Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| N5 | HN5 | sing | 1.01Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | N10 | sing | 1.47Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N10 | C11 | sing | 1.47Å | 1.51Å | |
| N10 | HN0 | sing | 1.01Å | 1.02Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | N14 | sing | 1.47Å | 1.50Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| 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 | 113.5° | 106.7° |
| C2 | N1 | HN12 | 110.7° | 106.8° |
| N1 | C2 | C3 | 113.5° | 109.6° |
| N1 | C2 | H21 | 110.8° | 109.5° |
| N1 | C2 | H22 | 110.8° | 109.4° |
| HN11 | N1 | HN12 | 110.8° | 106.6° |
| C3 | C2 | H21 | 110.7° | 109.6° |
| C3 | C2 | H22 | 110.7° | 109.5° |
| C2 | C3 | C4 | 110.3° | 109.5° |
| C2 | C3 | H31 | 111.9° | 109.5° |
| C2 | C3 | H32 | 111.9° | 109.5° |
| H21 | C2 | H22 | 99.6° | 109.4° |
| C4 | C3 | H31 | 111.9° | 109.5° |
| C4 | C3 | H32 | 111.9° | 109.4° |
| C3 | C4 | N5 | 109.3° | 109.6° |
| C3 | C4 | H41 | 112.3° | 109.5° |
| C3 | C4 | H42 | 112.3° | 109.4° |
| H31 | C3 | H32 | 98.5° | 109.4° |
| N5 | C4 | H41 | 112.2° | 109.5° |
| N5 | C4 | H42 | 112.2° | 109.4° |
| C4 | N5 | C6 | 113.3° | 106.8° |
| C4 | N5 | HN5 | 110.9° | 106.8° |
| H41 | C4 | H42 | 98.2° | 109.4° |
| C6 | N5 | HN5 | 110.8° | 106.7° |
| N5 | C6 | C7 | 108.5° | 109.6° |
| N5 | C6 | H61 | 112.5° | 109.5° |
| N5 | C6 | H62 | 112.5° | 109.4° |
| C7 | C6 | H61 | 112.6° | 109.5° |
| C7 | C6 | H62 | 112.6° | 109.5° |
| C6 | C7 | C8 | 110.1° | 109.5° |
| C6 | C7 | H71 | 112.0° | 109.5° |
| C6 | C7 | H72 | 111.9° | 109.4° |
| H61 | C6 | H62 | 97.9° | 109.4° |
| C8 | C7 | H71 | 112.0° | 109.5° |
| C8 | C7 | H72 | 112.0° | 109.5° |
| C7 | C8 | C9 | 109.2° | 109.5° |
| C7 | C8 | H81 | 112.3° | 109.5° |
| C7 | C8 | H82 | 112.3° | 109.5° |
| H71 | C7 | H72 | 98.4° | 109.5° |
| C9 | C8 | H81 | 112.3° | 109.5° |
| C9 | C8 | H82 | 112.3° | 109.4° |
| C8 | C9 | N10 | 113.1° | 109.5° |
| C8 | C9 | H91 | 110.9° | 109.5° |
| C8 | C9 | H92 | 110.9° | 109.4° |
| H81 | C8 | H82 | 98.2° | 109.4° |
| N10 | C9 | H91 | 110.9° | 109.5° |
| N10 | C9 | H92 | 110.9° | 109.4° |
| C9 | N10 | C11 | 110.8° | 106.7° |
| C9 | N10 | HN0 | 111.7° | 106.7° |
| H91 | C9 | H92 | 99.3° | 109.4° |
| C11 | N10 | HN0 | 111.7° | 106.7° |
| N10 | C11 | C12 | 111.8° | 109.5° |
| N10 | C11 | H111 | 111.3° | 109.5° |
| N10 | C11 | H112 | 111.4° | 109.4° |
| C12 | C11 | H111 | 111.4° | 109.5° |
| C12 | C11 | H112 | 111.4° | 109.4° |
| C11 | C12 | C13 | 108.7° | 109.5° |
| C11 | C12 | H121 | 112.5° | 109.4° |
| C11 | C12 | H122 | 112.5° | 109.4° |
| H111 | C11 | H112 | 99.0° | 109.5° |
| C13 | C12 | H121 | 112.5° | 109.5° |
| C13 | C12 | H122 | 112.5° | 109.5° |
| C12 | C13 | N14 | 112.8° | 109.5° |
| C12 | C13 | H131 | 111.0° | 109.5° |
| C12 | C13 | H132 | 111.0° | 109.4° |
| H121 | C12 | H122 | 98.0° | 109.4° |
| N14 | C13 | H131 | 111.0° | 109.5° |
| N14 | C13 | H132 | 111.0° | 109.4° |
| C13 | N14 | HN41 | 112.8° | 106.8° |
| C13 | N14 | HN42 | 111.0° | 106.8° |
| H131 | C13 | H132 | 99.3° | 109.5° |
| HN41 | N14 | HN42 | 111.1° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.2° | 113.9° |
| N1 | C2 | C3 | H21 | 125.2° | 120.1° |
| N1 | C2 | C3 | H22 | 125.3° | 120.0° |
| N1 | C2 | H21 | H22 | 116.7° | 119.9° |
| N1 | C2 | C3 | C4 | 175.3° | 180.0° |
| N1 | C2 | C3 | H31 | 50.0° | 59.9° |
| N1 | C2 | C3 | H32 | 59.4° | 60.0° |
| HN11 | N1 | C2 | C3 | 180.0° | 66.3° |
| HN11 | N1 | C2 | H21 | 54.8° | 53.9° |
| HN11 | N1 | C2 | H22 | 54.8° | 173.7° |
| HN12 | N1 | C2 | C3 | 54.7° | 180.0° |
| HN12 | N1 | C2 | H21 | 179.9° | 59.8° |
| HN12 | N1 | C2 | H22 | 70.5° | 60.0° |
| C3 | C2 | H21 | H22 | 116.6° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.8° | 120.0° |
| C2 | C3 | C4 | N5 | 172.6° | 180.0° |
| C2 | C3 | C4 | H41 | 47.3° | 59.9° |
| C2 | C3 | C4 | H42 | 62.2° | 60.0° |
| H21 | C2 | C3 | C4 | 59.5° | 59.9° |
| H21 | C2 | C3 | H31 | 175.3° | 180.0° |
| H21 | C2 | C3 | H32 | 65.8° | 60.1° |
| H22 | C2 | C3 | C4 | 50.0° | 60.1° |
| H22 | C2 | C3 | H31 | 75.2° | 60.0° |
| H22 | C2 | C3 | H32 | 175.3° | NaN° |
| C4 | C3 | H31 | H32 | 117.8° | 119.9° |
| C3 | C4 | N5 | H41 | 125.3° | 120.1° |
| C3 | C4 | N5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 118.2° | 120.0° |
| C3 | C4 | N5 | C6 | 179.1° | 180.0° |
| C3 | C4 | N5 | HN5 | 55.7° | 66.1° |
| H31 | C3 | C4 | N5 | 62.2° | 59.9° |
| H31 | C3 | C4 | H41 | 172.6° | 180.0° |
| H31 | C3 | C4 | H42 | 63.1° | 60.1° |
| H32 | C3 | C4 | N5 | 47.3° | 60.0° |
| H32 | C3 | C4 | H41 | 78.0° | 60.1° |
| H32 | C3 | C4 | H42 | 172.5° | 180.0° |
| N5 | C4 | H41 | H42 | 118.1° | 119.9° |
| C4 | N5 | C6 | HN5 | 125.3° | 113.9° |
| C4 | N5 | C6 | C7 | 175.6° | 180.0° |
| C4 | N5 | C6 | H61 | 59.1° | 59.9° |
| C4 | N5 | C6 | H62 | 50.3° | 60.0° |
| H41 | C4 | N5 | C6 | 55.7° | 59.9° |
| H41 | C4 | N5 | HN5 | 69.6° | 173.8° |
| H42 | C4 | N5 | C6 | 53.8° | 60.0° |
| H42 | C4 | N5 | HN5 | 179.1° | 53.9° |
| N5 | C6 | C7 | H61 | 125.2° | 120.1° |
| N5 | C6 | C7 | H62 | 125.2° | 120.0° |
| N5 | C6 | H61 | H62 | 118.4° | 119.9° |
| N5 | C6 | C7 | C8 | 161.8° | 180.0° |
| N5 | C6 | C7 | H71 | 72.8° | 60.0° |
| N5 | C6 | C7 | H72 | 36.5° | 60.0° |
| HN5 | N5 | C6 | C7 | 59.1° | 66.1° |
| HN5 | N5 | C6 | H61 | 66.2° | 173.8° |
| HN5 | N5 | C6 | H62 | 175.7° | 53.9° |
| C7 | C6 | H61 | H62 | 118.5° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.8° | 119.9° |
| C6 | C7 | C8 | C9 | 171.5° | 180.0° |
| C6 | C7 | C8 | H81 | 63.2° | 59.9° |
| C6 | C7 | C8 | H82 | 46.3° | 60.0° |
| H61 | C6 | C7 | C8 | 36.6° | 59.9° |
| H61 | C6 | C7 | H71 | 161.9° | 180.0° |
| H61 | C6 | C7 | H72 | 88.7° | 60.1° |
| H62 | C6 | C7 | C8 | 72.9° | 60.0° |
| H62 | C6 | C7 | H71 | 52.4° | 60.0° |
| H62 | C6 | C7 | H72 | 161.7° | 180.0° |
| C8 | C7 | H71 | H72 | 117.9° | 120.0° |
| C7 | C8 | C9 | H81 | 125.2° | 120.1° |
| C7 | C8 | C9 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 118.2° | 120.0° |
| C7 | C8 | C9 | N10 | 168.0° | 180.0° |
| C7 | C8 | C9 | H91 | 66.6° | 59.9° |
| C7 | C8 | C9 | H92 | 42.7° | 60.0° |
| H71 | C7 | C8 | C9 | 46.2° | 59.9° |
| H71 | C7 | C8 | H81 | 171.5° | 179.9° |
| H71 | C7 | C8 | H82 | 79.0° | 60.0° |
| H72 | C7 | C8 | C9 | 63.2° | 60.1° |
| H72 | C7 | C8 | H81 | 62.0° | 60.0° |
| H72 | C7 | C8 | H82 | 171.6° | NaN° |
| C9 | C8 | H81 | H82 | 118.3° | 119.9° |
| C8 | C9 | N10 | H91 | 125.3° | 120.1° |
| C8 | C9 | N10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 116.7° | 119.9° |
| C8 | C9 | N10 | C11 | 88.4° | 180.0° |
| C8 | C9 | N10 | HN0 | 146.4° | 66.1° |
| H81 | C8 | C9 | N10 | 42.8° | 59.9° |
| H81 | C8 | C9 | H91 | 168.2° | NaN° |
| H81 | C8 | C9 | H92 | 82.5° | 60.1° |
| H82 | C8 | C9 | N10 | 66.7° | 60.0° |
| H82 | C8 | C9 | H91 | 58.6° | 60.1° |
| H82 | C8 | C9 | H92 | 168.0° | 180.0° |
| N10 | C9 | H91 | H92 | 116.8° | 119.9° |
| C9 | N10 | C11 | HN0 | 125.2° | 113.9° |
| C9 | N10 | C11 | C12 | 175.0° | 180.0° |
| C9 | N10 | C11 | H111 | 59.7° | 59.9° |
| C9 | N10 | C11 | H112 | 49.7° | 60.1° |
| H91 | C9 | N10 | C11 | 146.3° | 59.9° |
| H91 | C9 | N10 | HN0 | 21.1° | 173.7° |
| H92 | C9 | N10 | C11 | 36.9° | 60.0° |
| H92 | C9 | N10 | HN0 | 88.3° | 53.8° |
| N10 | C11 | C12 | H111 | 125.2° | 120.0° |
| N10 | C11 | C12 | H112 | 125.3° | 120.0° |
| N10 | C11 | H111 | H112 | 117.2° | 120.0° |
| N10 | C11 | C12 | C13 | 120.3° | 180.0° |
| N10 | C11 | C12 | H121 | 114.4° | 59.9° |
| N10 | C11 | C12 | H122 | 4.9° | 60.0° |
| HN0 | N10 | C11 | C12 | 59.7° | 66.2° |
| HN0 | N10 | C11 | H111 | 65.6° | 173.8° |
| HN0 | N10 | C11 | H112 | 175.0° | 53.8° |
| C12 | C11 | H111 | H112 | 117.3° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.1° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 118.4° | 119.9° |
| C11 | C12 | C13 | N14 | 111.6° | 179.9° |
| C11 | C12 | C13 | H131 | 123.1° | 60.0° |
| C11 | C12 | C13 | H132 | 13.7° | 60.0° |
| H111 | C11 | C12 | C13 | 4.9° | 60.0° |
| H111 | C11 | C12 | H121 | 120.3° | 179.9° |
| H111 | C11 | C12 | H122 | 130.2° | 60.1° |
| H112 | C11 | C12 | C13 | 114.4° | 60.1° |
| H112 | C11 | C12 | H121 | 10.8° | 60.1° |
| H112 | C11 | C12 | H122 | 120.4° | 179.9° |
| C13 | C12 | H121 | H122 | 118.4° | 120.0° |
| C12 | C13 | N14 | H131 | 125.3° | 120.1° |
| C12 | C13 | N14 | H132 | 125.2° | 119.9° |
| C12 | C13 | H131 | H132 | 116.8° | 120.0° |
| C12 | C13 | N14 | HN41 | 180.0° | 180.0° |
| C12 | C13 | N14 | HN42 | 54.7° | 66.1° |
| H121 | C12 | C13 | N14 | 13.6° | 59.9° |
| H121 | C12 | C13 | H131 | 111.7° | 180.0° |
| H121 | C12 | C13 | H132 | 138.9° | 60.0° |
| H122 | C12 | C13 | N14 | 123.2° | 60.1° |
| H122 | C12 | C13 | H131 | 2.1° | 60.0° |
| H122 | C12 | C13 | H132 | 111.6° | 180.0° |
| N14 | C13 | H131 | H132 | 116.9° | 119.9° |
| C13 | N14 | HN41 | HN42 | 125.3° | 113.9° |
| H131 | C13 | N14 | HN41 | 54.8° | 59.9° |
| H131 | C13 | N14 | HN42 | 70.6° | 173.7° |
| H132 | C13 | N14 | HN41 | 54.7° | 60.1° |
| H132 | C13 | N14 | HN42 | 180.0° | 53.8° |
