157
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | C16 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.49Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.49Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | N6 | sing | 1.37Å | 1.32Å | |
| C5 | N7 | doub | 1.29Å | 1.31Å | |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| O8 | C15 | doub | 1.21Å | 1.20Å | |
| O9 | C13 | sing | 1.43Å | 1.39Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C10 | C12 | sing | 1.54Å | 1.52Å | |
| C10 | C13 | sing | 1.54Å | 1.52Å | |
| C10 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | C14 | sing | 1.55Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.55Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C16 | 116.3° | 109.5° |
| C2 | C1 | H11 | 109.7° | 109.5° |
| C2 | C1 | H12 | 109.7° | 109.5° |
| C1 | C2 | C3 | 109.0° | 109.6° |
| C1 | C2 | H21 | 112.4° | 109.5° |
| C1 | C2 | H22 | 112.4° | 109.5° |
| C16 | C1 | H11 | 109.7° | 109.5° |
| C16 | C1 | H12 | 109.7° | 109.5° |
| C1 | C16 | C10 | 115.2° | 109.5° |
| C1 | C16 | C15 | 116.7° | 109.5° |
| C1 | C16 | H16 | 99.4° | 109.5° |
| H11 | C1 | H12 | 100.4° | 109.4° |
| C3 | C2 | H21 | 112.4° | 109.5° |
| C3 | C2 | H22 | 112.4° | 109.4° |
| C2 | C3 | C4 | 112.0° | 109.6° |
| C2 | C3 | H31 | 111.3° | 109.4° |
| C2 | C3 | H32 | 111.3° | 109.4° |
| H21 | C2 | H22 | 98.1° | 109.4° |
| C4 | C3 | H31 | 111.2° | 109.5° |
| C4 | C3 | H32 | 111.2° | 109.5° |
| C3 | C4 | C5 | 111.3° | 109.6° |
| C3 | C4 | H41 | 111.6° | 109.4° |
| C3 | C4 | H42 | 111.6° | 109.4° |
| H31 | C3 | H32 | 99.1° | 109.4° |
| C5 | C4 | H41 | 111.5° | 109.5° |
| C5 | C4 | H42 | 111.5° | 109.5° |
| C4 | C5 | N6 | 120.2° | 120.1° |
| C4 | C5 | N7 | 122.1° | 120.0° |
| H41 | C4 | H42 | 98.8° | 109.4° |
| N6 | C5 | N7 | 117.7° | 119.9° |
| C5 | N6 | HN61 | 120.2° | 120.1° |
| C5 | N6 | HN62 | 108.3° | 119.9° |
| C5 | N7 | HN7 | 118.5° | 120.0° |
| HN61 | N6 | HN62 | 108.4° | 120.0° |
| O8 | C15 | C16 | 117.0° | 120.0° |
| O8 | C15 | H15 | 111.1° | 120.0° |
| C13 | O9 | HO9 | 111.4° | 106.8° |
| O9 | C13 | C10 | 111.4° | 110.7° |
| O9 | C13 | C14 | 107.9° | 110.4° |
| O9 | C13 | H13 | 108.2° | 110.5° |
| C12 | C10 | C13 | 102.0° | 106.6° |
| C12 | C10 | C16 | 112.5° | 110.1° |
| C12 | C10 | H10 | 114.3° | 110.0° |
| C10 | C12 | C11 | 105.4° | 106.6° |
| C10 | C12 | H121 | 113.7° | 110.1° |
| C10 | C12 | H122 | 113.8° | 110.0° |
| C13 | C10 | C16 | 114.6° | 110.1° |
| C13 | C10 | H10 | 112.3° | 110.0° |
| C10 | C13 | C14 | 105.9° | 104.2° |
| C10 | C13 | H13 | 110.0° | 110.4° |
| C16 | C10 | H10 | 101.7° | 110.0° |
| C10 | C16 | C15 | 109.6° | 109.5° |
| C10 | C16 | H16 | 108.3° | 109.4° |
| C12 | C11 | C14 | 107.8° | 104.2° |
| C12 | C11 | H111 | 112.8° | 110.5° |
| C12 | C11 | H112 | 112.9° | 110.5° |
| C11 | C12 | H121 | 113.7° | 110.0° |
| C11 | C12 | H122 | 113.7° | 110.0° |
| C14 | C11 | H111 | 112.9° | 110.5° |
| C14 | C11 | H112 | 112.9° | 110.4° |
| C11 | C14 | C13 | 104.2° | 102.8° |
| C11 | C14 | H141 | 114.2° | 110.7° |
| C11 | C14 | H142 | 114.2° | 110.8° |
| H111 | C11 | H112 | 97.5° | 110.6° |
| H121 | C12 | H122 | 96.7° | 110.0° |
| C14 | C13 | H13 | 113.4° | 110.5° |
| C13 | C14 | H141 | 114.2° | 110.8° |
| C13 | C14 | H142 | 114.3° | 110.8° |
| H141 | C14 | H142 | 96.2° | 110.8° |
| C15 | C16 | H16 | 106.5° | 109.4° |
| C16 | C15 | H15 | 131.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C16 | H11 | 125.3° | 120.0° |
| C2 | C1 | C16 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 115.5° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 118.3° | 120.0° |
| C1 | C2 | C3 | C4 | 61.3° | 180.0° |
| C1 | C2 | C3 | H31 | 173.5° | 59.9° |
| C1 | C2 | C3 | H32 | 64.0° | 59.9° |
| C2 | C1 | C16 | C10 | 137.7° | 180.0° |
| C2 | C1 | C16 | C15 | 7.0° | 60.0° |
| C2 | C1 | C16 | H16 | 106.8° | 60.0° |
| C16 | C1 | H11 | H12 | 115.5° | 120.0° |
| C16 | C1 | C2 | C3 | 149.0° | 180.0° |
| C16 | C1 | C2 | H21 | 85.8° | 60.0° |
| C16 | C1 | C2 | H22 | 23.7° | 60.0° |
| C1 | C16 | C15 | O8 | 107.3° | 120.0° |
| C1 | C16 | C10 | C12 | 51.3° | 62.1° |
| C1 | C16 | C10 | C13 | 167.2° | 179.3° |
| C1 | C16 | C10 | C15 | 134.1° | 120.0° |
| C1 | C16 | C10 | H16 | 110.2° | 120.0° |
| C1 | C16 | C10 | H10 | 71.5° | 59.3° |
| C1 | C16 | C15 | H16 | 109.8° | 120.0° |
| C1 | C16 | C15 | H15 | 72.8° | 60.0° |
| H11 | C1 | C2 | C3 | 85.8° | 59.9° |
| H11 | C1 | C2 | H21 | 39.5° | 180.0° |
| H11 | C1 | C2 | H22 | 149.0° | 60.1° |
| H11 | C1 | C16 | C10 | 12.4° | 60.0° |
| H11 | C1 | C16 | C15 | 118.3° | 60.0° |
| H11 | C1 | C16 | H16 | 127.9° | 180.0° |
| H12 | C1 | C2 | C3 | 23.7° | 60.0° |
| H12 | C1 | C2 | H21 | 148.9° | 60.1° |
| H12 | C1 | C2 | H22 | 101.6° | 180.0° |
| H12 | C1 | C16 | C10 | 97.0° | 60.0° |
| H12 | C1 | C16 | C15 | 132.3° | 180.0° |
| H12 | C1 | C16 | H16 | 18.5° | 60.0° |
| C3 | C2 | H21 | H22 | 118.3° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 120.1° |
| C2 | C3 | H31 | H32 | 117.2° | 119.9° |
| C2 | C3 | C4 | C5 | 172.7° | 180.0° |
| C2 | C3 | C4 | H41 | 62.0° | 60.0° |
| C2 | C3 | C4 | H42 | 47.4° | 60.0° |
| H21 | C2 | C3 | C4 | 64.0° | 60.0° |
| H21 | C2 | C3 | H31 | 61.3° | 180.0° |
| H21 | C2 | C3 | H32 | 170.8° | 60.1° |
| H22 | C2 | C3 | C4 | 173.5° | 59.9° |
| H22 | C2 | C3 | H31 | 48.3° | 60.1° |
| H22 | C2 | C3 | H32 | 61.3° | 180.0° |
| C4 | C3 | H31 | H32 | 117.1° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.5° | 119.9° |
| C3 | C4 | C5 | N6 | 81.3° | 180.0° |
| C3 | C4 | C5 | N7 | 101.3° | 0.0° |
| H31 | C3 | C4 | C5 | 47.4° | 60.0° |
| H31 | C3 | C4 | H41 | 172.7° | 180.0° |
| H31 | C3 | C4 | H42 | 77.8° | 60.1° |
| H32 | C3 | C4 | C5 | 62.0° | 59.9° |
| H32 | C3 | C4 | H41 | 63.3° | 60.1° |
| H32 | C3 | C4 | H42 | 172.7° | 180.0° |
| C5 | C4 | H41 | H42 | 117.3° | 120.0° |
| C4 | C5 | N6 | N7 | 177.5° | 180.0° |
| C4 | C5 | N6 | HN61 | 180.0° | 179.9° |
| C4 | C5 | N6 | HN62 | 54.7° | 0.3° |
| C4 | C5 | N7 | HN7 | 32.5° | 0.0° |
| H41 | C4 | C5 | N6 | 153.4° | 60.0° |
| H41 | C4 | C5 | N7 | 24.0° | 120.0° |
| H42 | C4 | C5 | N6 | 44.1° | 60.0° |
| H42 | C4 | C5 | N7 | 133.4° | 120.0° |
| C5 | N6 | HN61 | HN62 | 125.3° | 179.6° |
| N6 | C5 | N7 | HN7 | 145.0° | 180.0° |
| N7 | C5 | N6 | HN61 | 2.4° | 0.1° |
| N7 | C5 | N6 | HN62 | 127.8° | 179.7° |
| O8 | C15 | C16 | C10 | 119.4° | 120.0° |
| O8 | C15 | C16 | H15 | 180.0° | 180.0° |
| O8 | C15 | C16 | H16 | 2.5° | 0.0° |
| O9 | C13 | C10 | C12 | 156.2° | 142.3° |
| O9 | C13 | C10 | C14 | 117.1° | 118.7° |
| O9 | C13 | C10 | H13 | 120.0° | 122.6° |
| O9 | C13 | C10 | C16 | 82.0° | 98.4° |
| O9 | C13 | C10 | H10 | 33.4° | 23.0° |
| O9 | C13 | C14 | C11 | 150.1° | 156.7° |
| O9 | C13 | C14 | H13 | 119.8° | 122.5° |
| O9 | C13 | C14 | H141 | 24.9° | 38.5° |
| O9 | C13 | C14 | H142 | 84.6° | 84.9° |
| HO9 | O9 | C13 | C10 | 179.9° | 176.3° |
| HO9 | O9 | C13 | C14 | 64.1° | 61.5° |
| HO9 | O9 | C13 | H13 | 59.0° | 61.1° |
| C12 | C10 | C13 | C16 | 121.8° | 119.3° |
| C12 | C10 | C13 | H10 | 122.8° | 119.3° |
| C12 | C10 | C16 | H10 | 122.8° | 121.4° |
| C10 | C12 | C11 | H121 | 125.3° | 119.4° |
| C10 | C12 | C11 | H122 | 125.3° | 119.2° |
| C10 | C12 | C11 | C14 | 13.8° | 23.6° |
| C10 | C12 | C11 | H111 | 111.5° | 142.3° |
| C10 | C12 | C11 | H112 | 139.2° | 95.0° |
| C10 | C12 | H121 | H122 | 119.7° | 121.4° |
| C12 | C10 | C13 | C14 | 39.1° | 23.5° |
| C12 | C10 | C13 | H13 | 83.8° | 95.1° |
| C12 | C10 | C16 | C15 | 174.7° | 177.9° |
| C12 | C10 | C16 | H16 | 58.9° | 57.9° |
| C13 | C10 | C16 | H10 | 121.4° | 121.4° |
| C13 | C10 | C12 | C11 | 31.8° | 0.1° |
| C10 | C13 | C14 | C11 | 30.7° | 37.9° |
| C13 | C10 | C12 | H121 | 157.1° | 119.2° |
| C13 | C10 | C12 | H122 | 93.4° | 119.3° |
| C10 | C13 | C14 | H13 | 120.8° | 118.6° |
| C10 | C13 | C14 | H141 | 94.5° | 80.4° |
| C10 | C13 | C14 | H142 | 156.0° | 156.2° |
| C13 | C10 | C16 | C15 | 58.8° | 60.7° |
| C13 | C10 | C16 | H16 | 57.0° | 59.3° |
| C16 | C10 | C12 | C11 | 155.1° | 119.3° |
| C16 | C10 | C12 | H121 | 79.7° | 121.4° |
| C16 | C10 | C12 | H122 | 29.8° | 0.0° |
| C16 | C10 | C13 | C14 | 160.9° | 142.9° |
| C16 | C10 | C13 | H13 | 38.0° | 24.2° |
| C10 | C16 | C15 | H16 | 116.9° | 120.0° |
| C10 | C16 | C15 | H15 | 60.5° | 60.0° |
| H10 | C10 | C12 | C11 | 89.6° | 119.3° |
| H10 | C10 | C12 | H121 | 35.7° | 0.0° |
| H10 | C10 | C12 | H122 | 145.2° | 121.4° |
| H10 | C10 | C13 | C14 | 83.7° | 95.7° |
| H10 | C10 | C13 | H13 | 153.4° | 145.6° |
| H10 | C10 | C16 | C15 | 62.6° | 60.7° |
| H10 | C10 | C16 | H16 | 178.3° | 179.3° |
| C12 | C11 | C14 | H111 | 125.3° | 118.7° |
| C12 | C11 | C14 | H112 | 125.3° | 118.7° |
| C12 | C11 | H111 | H112 | 118.7° | 122.7° |
| C11 | C12 | H121 | H122 | 119.6° | 121.4° |
| C12 | C11 | C14 | C13 | 10.2° | 37.9° |
| C12 | C11 | C14 | H141 | 115.1° | 80.4° |
| C12 | C11 | C14 | H142 | 135.5° | 156.3° |
| C14 | C11 | H111 | H112 | 118.8° | 122.6° |
| C14 | C11 | C12 | H121 | 139.1° | 95.7° |
| C14 | C11 | C12 | H122 | 111.5° | 142.9° |
| C11 | C14 | C13 | H141 | 125.3° | 118.3° |
| C11 | C14 | C13 | H142 | 125.3° | 118.3° |
| C11 | C14 | C13 | H13 | 90.1° | 80.7° |
| C11 | C14 | H141 | H142 | 120.1° | 123.3° |
| H111 | C11 | C12 | H121 | 13.8° | 22.9° |
| H111 | C11 | C12 | H122 | 123.2° | 98.5° |
| H111 | C11 | C14 | C13 | 135.5° | 156.6° |
| H111 | C11 | C14 | H141 | 10.2° | 38.3° |
| H111 | C11 | C14 | H142 | 99.2° | 85.1° |
| H112 | C11 | C12 | H121 | 95.6° | 145.6° |
| H112 | C11 | C12 | H122 | 13.8° | 24.2° |
| H112 | C11 | C14 | C13 | 115.1° | 80.7° |
| H112 | C11 | C14 | H141 | 119.6° | 160.9° |
| H112 | C11 | C14 | H142 | 10.2° | 37.6° |
| C13 | C14 | H141 | H142 | 120.2° | 123.4° |
| H13 | C13 | C14 | H141 | 144.7° | 161.0° |
| H13 | C13 | C14 | H142 | 35.2° | 37.6° |
| H16 | C16 | C15 | H15 | 177.4° | 180.0° |
