YMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O8 | C2 | doub | 1.21Å | 1.39Å | |
| C2 | O7 | sing | 1.34Å | 1.35Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C1 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | N3 | sing | 1.47Å | 1.48Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N3 | C14 | sing | 1.47Å | 1.50Å | |
| N3 | C12 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | sing | 1.51Å | 1.33Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | N5 | sing | 1.35Å | 1.37Å | |
| C15 | O6 | doub | 1.21Å | 1.19Å | |
| N5 | C16 | sing | 1.46Å | 1.55Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C16 | C18 | sing | 1.53Å | 1.65Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C18 | S2 | sing | 1.81Å | 1.82Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| S2 | HS2 | sing | 1.34Å | 0.95Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | O4 | sing | 1.34Å | 1.39Å | |
| C13 | O3 | doub | 1.21Å | 1.34Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | N2 | sing | 1.47Å | 1.31Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N2 | C5 | sing | 1.47Å | 1.58Å | |
| N2 | C7 | sing | 1.47Å | 1.54Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | O2 | doub | 1.21Å | 1.39Å | |
| C6 | O1 | sing | 1.34Å | 1.34Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C7 | C8 | sing | 1.51Å | 1.65Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | O5 | doub | 1.21Å | 1.60Å | |
| C8 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | C9 | sing | 1.46Å | 1.56Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C9 | C17 | sing | 1.53Å | 1.59Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C17 | S1 | sing | 1.81Å | 1.83Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| S1 | HS1 | sing | 1.34Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O8 | C2 | O7 | 120.9° | 120.0° |
| O8 | C2 | C1 | 121.4° | 120.0° |
| O7 | C2 | C1 | 117.7° | 120.0° |
| C2 | O7 | HO7 | 120.9° | 120.0° |
| C2 | C1 | N1 | 112.8° | 109.5° |
| C2 | C1 | H11 | 111.0° | 109.4° |
| C2 | C1 | H12 | 111.0° | 109.5° |
| N1 | C1 | H11 | 111.0° | 109.5° |
| N1 | C1 | H12 | 111.0° | 109.4° |
| C1 | N1 | C10 | 121.7° | 106.7° |
| C1 | N1 | C3 | 116.8° | 106.8° |
| H11 | C1 | H12 | 99.4° | 109.4° |
| C10 | N1 | C3 | 121.4° | 106.7° |
| N1 | C10 | C11 | 112.8° | 109.5° |
| N1 | C10 | H101 | 111.0° | 109.4° |
| N1 | C10 | H102 | 111.0° | 109.5° |
| N1 | C3 | C4 | 113.5° | 109.5° |
| N1 | C3 | H31 | 110.7° | 109.4° |
| N1 | C3 | H32 | 110.7° | 109.5° |
| C11 | C10 | H101 | 111.0° | 109.4° |
| C11 | C10 | H102 | 111.0° | 109.5° |
| C10 | C11 | N3 | 115.6° | 109.5° |
| C10 | C11 | H111 | 110.0° | 109.4° |
| C10 | C11 | H112 | 110.0° | 109.5° |
| H101 | C10 | H102 | 99.4° | 109.5° |
| N3 | C11 | H111 | 110.0° | 109.4° |
| N3 | C11 | H112 | 110.0° | 109.5° |
| C11 | N3 | C14 | 118.5° | 106.7° |
| C11 | N3 | C12 | 120.8° | 106.7° |
| H111 | C11 | H112 | 100.2° | 109.4° |
| C14 | N3 | C12 | 120.6° | 106.7° |
| N3 | C14 | C15 | 118.0° | 109.5° |
| N3 | C14 | H141 | 109.1° | 109.5° |
| N3 | C14 | H142 | 109.1° | 109.5° |
| N3 | C12 | C13 | 113.4° | 109.5° |
| N3 | C12 | H121 | 110.8° | 109.4° |
| N3 | C12 | H122 | 110.8° | 109.4° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.4° |
| C14 | C15 | N5 | 101.0° | 120.0° |
| C14 | C15 | O6 | 133.3° | 120.0° |
| H141 | C14 | H142 | 100.9° | 109.5° |
| N5 | C15 | O6 | 125.3° | 120.0° |
| C15 | N5 | C16 | 133.0° | 120.0° |
| C15 | N5 | HN5 | 105.2° | 120.0° |
| C16 | N5 | HN5 | 121.8° | 120.1° |
| N5 | C16 | C18 | 154.9° | 109.5° |
| N5 | C16 | H161 | 97.4° | 109.4° |
| N5 | C16 | H162 | 97.3° | 109.5° |
| C18 | C16 | H161 | 97.3° | 109.4° |
| C18 | C16 | H162 | 97.3° | 109.5° |
| C16 | C18 | S2 | 108.4° | 109.5° |
| C16 | C18 | H181 | 112.6° | 109.4° |
| C16 | C18 | H182 | 112.6° | 109.5° |
| H161 | C16 | H162 | 108.2° | 109.5° |
| S2 | C18 | H181 | 112.6° | 109.5° |
| S2 | C18 | H182 | 112.6° | 109.5° |
| C18 | S2 | HS2 | 108.4° | 100.0° |
| H181 | C18 | H182 | 97.8° | 109.5° |
| C13 | C12 | H121 | 110.8° | 109.5° |
| C13 | C12 | H122 | 110.8° | 109.5° |
| C12 | C13 | O4 | 120.8° | 120.0° |
| C12 | C13 | O3 | 118.8° | 120.0° |
| H121 | C12 | H122 | 99.6° | 109.4° |
| O4 | C13 | O3 | 120.4° | 120.1° |
| C13 | O4 | HO4 | 120.9° | 120.0° |
| C4 | C3 | H31 | 110.7° | 109.4° |
| C4 | C3 | H32 | 110.8° | 109.5° |
| C3 | C4 | N2 | 114.6° | 109.5° |
| C3 | C4 | H41 | 110.3° | 109.4° |
| C3 | C4 | H42 | 110.3° | 109.5° |
| H31 | C3 | H32 | 99.6° | 109.5° |
| N2 | C4 | H41 | 110.4° | 109.4° |
| N2 | C4 | H42 | 110.3° | 109.6° |
| C4 | N2 | C5 | 125.1° | 106.7° |
| C4 | N2 | C7 | 122.6° | 106.7° |
| H41 | C4 | H42 | 100.0° | 109.4° |
| C5 | N2 | C7 | 112.2° | 106.6° |
| N2 | C5 | C6 | 116.1° | 109.4° |
| N2 | C5 | H51 | 109.8° | 109.5° |
| N2 | C5 | H52 | 109.8° | 109.5° |
| N2 | C7 | C8 | 107.2° | 109.5° |
| N2 | C7 | H71 | 113.0° | 109.5° |
| N2 | C7 | H72 | 113.1° | 109.5° |
| C6 | C5 | H51 | 109.8° | 109.5° |
| C6 | C5 | H52 | 109.8° | 109.5° |
| C5 | C6 | O2 | 119.9° | 120.0° |
| C5 | C6 | O1 | 119.2° | 120.0° |
| H51 | C5 | H52 | 100.4° | 109.4° |
| O2 | C6 | O1 | 120.9° | 120.0° |
| C6 | O1 | HO1 | 119.2° | 120.0° |
| C8 | C7 | H71 | 113.0° | 109.5° |
| C8 | C7 | H72 | 113.0° | 109.4° |
| C7 | C8 | O5 | 118.1° | 120.0° |
| C7 | C8 | N4 | 142.2° | 120.0° |
| H71 | C7 | H72 | 97.4° | 109.4° |
| O5 | C8 | N4 | 95.2° | 120.0° |
| C8 | N4 | C9 | 134.3° | 120.0° |
| C8 | N4 | HN4 | 101.7° | 120.0° |
| C9 | N4 | HN4 | 124.0° | 120.0° |
| N4 | C9 | C17 | 144.1° | 109.5° |
| N4 | C9 | H91 | 100.6° | 109.5° |
| N4 | C9 | H92 | 100.6° | 109.5° |
| C17 | C9 | H91 | 100.6° | 109.5° |
| C17 | C9 | H92 | 100.6° | 109.4° |
| C9 | C17 | S1 | 128.5° | 109.5° |
| C9 | C17 | H171 | 105.6° | 109.4° |
| C9 | C17 | H172 | 105.6° | 109.4° |
| H91 | C9 | H92 | 106.8° | 109.4° |
| S1 | C17 | H171 | 105.6° | 109.5° |
| S1 | C17 | H172 | 105.6° | 109.5° |
| C17 | S1 | HS1 | 128.5° | 100.1° |
| H171 | C17 | H172 | 103.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O8 | C2 | O7 | C1 | 179.6° | 179.9° |
| O8 | C2 | O7 | HO7 | 180.0° | 0.1° |
| O8 | C2 | C1 | N1 | 95.7° | 6.6° |
| O8 | C2 | C1 | H11 | 139.0° | 113.4° |
| O8 | C2 | C1 | H12 | 29.5° | 126.6° |
| O7 | C2 | C1 | N1 | 83.8° | 173.3° |
| O7 | C2 | C1 | H11 | 41.4° | 66.7° |
| O7 | C2 | C1 | H12 | 150.9° | 53.3° |
| C1 | C2 | O7 | HO7 | 0.4° | 180.0° |
| C2 | C1 | N1 | H11 | 125.3° | 120.0° |
| C2 | C1 | N1 | H12 | 125.2° | 120.1° |
| C2 | C1 | H11 | H12 | 116.9° | 120.0° |
| C2 | C1 | N1 | C10 | 93.8° | 160.2° |
| C2 | C1 | N1 | C3 | 88.0° | 86.0° |
| N1 | C1 | H11 | H12 | 116.9° | 119.9° |
| C1 | N1 | C10 | C3 | 178.1° | 113.9° |
| C1 | N1 | C10 | C11 | 51.8° | 76.0° |
| C1 | N1 | C10 | H101 | 177.1° | 43.9° |
| C1 | N1 | C10 | H102 | 73.5° | 164.0° |
| C1 | N1 | C3 | C4 | 150.9° | 74.1° |
| C1 | N1 | C3 | H31 | 25.6° | 45.7° |
| C1 | N1 | C3 | H32 | 83.8° | 165.8° |
| H11 | C1 | N1 | C10 | 140.9° | 40.3° |
| H11 | C1 | N1 | C3 | 37.2° | 154.1° |
| H12 | C1 | N1 | C10 | 31.4° | 79.7° |
| H12 | C1 | N1 | C3 | 146.7° | 34.1° |
| N1 | C10 | C11 | H101 | 125.3° | 119.9° |
| N1 | C10 | C11 | H102 | 125.3° | 120.1° |
| N1 | C10 | H101 | H102 | 116.8° | 120.0° |
| N1 | C10 | C11 | N3 | 126.6° | 177.3° |
| N1 | C10 | C11 | H111 | 108.1° | 62.7° |
| N1 | C10 | C11 | H112 | 1.4° | 57.2° |
| C10 | N1 | C3 | C4 | 30.9° | 172.0° |
| C10 | N1 | C3 | H31 | 156.2° | 68.1° |
| C10 | N1 | C3 | H32 | 94.3° | 51.9° |
| C3 | N1 | C10 | C11 | 130.2° | 170.2° |
| C3 | N1 | C10 | H101 | 4.9° | 69.9° |
| C3 | N1 | C10 | H102 | 104.6° | 50.1° |
| N1 | C3 | C4 | H31 | 125.3° | 119.9° |
| N1 | C3 | C4 | H32 | 125.3° | 120.1° |
| N1 | C3 | H31 | H32 | 116.5° | 120.1° |
| N1 | C3 | C4 | N2 | 135.3° | 173.3° |
| N1 | C3 | C4 | H41 | 99.4° | 53.4° |
| N1 | C3 | C4 | H42 | 10.1° | 66.6° |
| C11 | C10 | H101 | H102 | 116.9° | 120.0° |
| C10 | C11 | N3 | H111 | 125.3° | 120.0° |
| C10 | C11 | N3 | H112 | 125.3° | 120.1° |
| C10 | C11 | H111 | H112 | 115.8° | 120.0° |
| C10 | C11 | N3 | C14 | 149.0° | 180.0° |
| C10 | C11 | N3 | C12 | 35.3° | 66.1° |
| H101 | C10 | C11 | N3 | 1.4° | 57.3° |
| H101 | C10 | C11 | H111 | 126.6° | 177.3° |
| H101 | C10 | C11 | H112 | 123.9° | 62.7° |
| H102 | C10 | C11 | N3 | 108.1° | 62.7° |
| H102 | C10 | C11 | H111 | 17.1° | 57.3° |
| H102 | C10 | C11 | H112 | 126.6° | 177.2° |
| N3 | C11 | H111 | H112 | 115.8° | 120.0° |
| C11 | N3 | C14 | C12 | 175.8° | 113.8° |
| C11 | N3 | C14 | C15 | 145.1° | 165.4° |
| C11 | N3 | C14 | H141 | 89.6° | 45.4° |
| C11 | N3 | C14 | H142 | 19.8° | 74.6° |
| C11 | N3 | C12 | C13 | 75.7° | 83.8° |
| C11 | N3 | C12 | H121 | 49.6° | 36.3° |
| C11 | N3 | C12 | H122 | 159.1° | 156.2° |
| H111 | C11 | N3 | C14 | 85.8° | 60.0° |
| H111 | C11 | N3 | C12 | 90.0° | 53.8° |
| H112 | C11 | N3 | C14 | 23.7° | 60.0° |
| H112 | C11 | N3 | C12 | 160.5° | 173.8° |
| N3 | C14 | C15 | H141 | 125.3° | 120.0° |
| N3 | C14 | C15 | H142 | 125.3° | 120.0° |
| N3 | C14 | H141 | H142 | 114.8° | 120.0° |
| N3 | C14 | C15 | N5 | 173.4° | 179.0° |
| N3 | C14 | C15 | O6 | 14.4° | 0.9° |
| C14 | N3 | C12 | C13 | 108.6° | 162.4° |
| C14 | N3 | C12 | H121 | 126.1° | 77.6° |
| C14 | N3 | C12 | H122 | 16.6° | 42.3° |
| C12 | N3 | C14 | C15 | 39.1° | 80.8° |
| C12 | N3 | C14 | H141 | 86.2° | 159.2° |
| C12 | N3 | C14 | H142 | 164.4° | 39.1° |
| N3 | C12 | C13 | H121 | 125.2° | 120.0° |
| N3 | C12 | C13 | H122 | 125.2° | 120.0° |
| N3 | C12 | H121 | H122 | 116.6° | 119.9° |
| N3 | C12 | C13 | O4 | 125.5° | 172.2° |
| N3 | C12 | C13 | O3 | 53.8° | 7.7° |
| C15 | C14 | H141 | H142 | 114.9° | 120.0° |
| C14 | C15 | N5 | O6 | 173.1° | 180.0° |
| C14 | C15 | N5 | C16 | 18.9° | 180.0° |
| C14 | C15 | N5 | HN5 | 161.1° | 0.0° |
| H141 | C14 | C15 | N5 | 48.1° | 59.1° |
| H141 | C14 | C15 | O6 | 139.6° | 120.9° |
| H142 | C14 | C15 | N5 | 61.3° | 60.9° |
| H142 | C14 | C15 | O6 | 110.9° | 119.1° |
| C15 | N5 | C16 | HN5 | 180.0° | 179.9° |
| C15 | N5 | C16 | C18 | 55.0° | 180.0° |
| C15 | N5 | C16 | H161 | 70.2° | 60.1° |
| C15 | N5 | C16 | H162 | 179.7° | 60.0° |
| O6 | C15 | N5 | C16 | 154.2° | 0.0° |
| O6 | C15 | N5 | HN5 | 25.8° | 180.0° |
| N5 | C16 | C18 | H161 | 125.3° | 119.9° |
| N5 | C16 | C18 | H162 | 125.3° | 120.0° |
| N5 | C16 | H161 | H162 | 100.2° | 120.1° |
| N5 | C16 | C18 | S2 | 49.0° | 180.0° |
| N5 | C16 | C18 | H181 | 76.2° | 60.1° |
| N5 | C16 | C18 | H182 | 174.3° | 60.0° |
| HN5 | N5 | C16 | C18 | 125.0° | 0.1° |
| HN5 | N5 | C16 | H161 | 109.8° | 120.0° |
| HN5 | N5 | C16 | H162 | 0.3° | 119.9° |
| C18 | C16 | H161 | H162 | 100.2° | 120.0° |
| C16 | C18 | S2 | H181 | 125.3° | 119.9° |
| C16 | C18 | S2 | H182 | 125.3° | 120.0° |
| C16 | C18 | H181 | H182 | 118.5° | 120.0° |
| C16 | C18 | S2 | HS2 | 180.0° | 180.0° |
| H161 | C16 | C18 | S2 | 174.3° | 60.0° |
| H161 | C16 | C18 | H181 | 49.0° | 180.0° |
| H161 | C16 | C18 | H182 | 60.4° | 60.0° |
| H162 | C16 | C18 | S2 | 76.2° | 60.0° |
| H162 | C16 | C18 | H181 | 158.5° | 60.0° |
| H162 | C16 | C18 | H182 | 49.0° | 180.0° |
| S2 | C18 | H181 | H182 | 118.5° | 120.0° |
| H181 | C18 | S2 | HS2 | 54.7° | 60.1° |
| H182 | C18 | S2 | HS2 | 54.7° | 60.0° |
| C13 | C12 | H121 | H122 | 116.7° | 120.0° |
| C12 | C13 | O4 | O3 | 179.3° | 180.0° |
| C12 | C13 | O4 | HO4 | 180.0° | 180.0° |
| H121 | C12 | C13 | O4 | 0.3° | 52.2° |
| H121 | C12 | C13 | O3 | 179.0° | 127.7° |
| H122 | C12 | C13 | O4 | 109.2° | 67.7° |
| H122 | C12 | C13 | O3 | 71.5° | 112.3° |
| O3 | C13 | O4 | HO4 | 0.7° | 0.0° |
| C4 | C3 | H31 | H32 | 116.6° | 120.0° |
| C3 | C4 | N2 | H41 | 125.3° | 119.9° |
| C3 | C4 | N2 | H42 | 125.2° | 120.1° |
| C3 | C4 | H41 | H42 | 116.2° | 120.0° |
| C3 | C4 | N2 | C5 | 2.9° | 66.3° |
| C3 | C4 | N2 | C7 | 178.2° | 180.0° |
| H31 | C3 | C4 | N2 | 10.1° | 66.8° |
| H31 | C3 | C4 | H41 | 135.3° | 173.3° |
| H31 | C3 | C4 | H42 | 115.2° | 53.3° |
| H32 | C3 | C4 | N2 | 99.4° | 53.2° |
| H32 | C3 | C4 | H41 | 25.8° | 66.7° |
| H32 | C3 | C4 | H42 | 135.3° | 173.3° |
| N2 | C4 | H41 | H42 | 116.2° | 120.1° |
| C4 | N2 | C5 | C7 | 175.8° | 113.7° |
| C4 | N2 | C5 | C6 | 117.9° | 82.8° |
| C4 | N2 | C5 | H51 | 7.4° | 157.2° |
| C4 | N2 | C5 | H52 | 116.8° | 37.2° |
| C4 | N2 | C7 | C8 | 104.4° | 166.3° |
| C4 | N2 | C7 | H71 | 130.3° | 46.3° |
| C4 | N2 | C7 | H72 | 20.9° | 73.7° |
| H41 | C4 | N2 | C5 | 122.4° | 173.8° |
| H41 | C4 | N2 | C7 | 52.9° | 60.1° |
| H42 | C4 | N2 | C5 | 128.1° | 53.8° |
| H42 | C4 | N2 | C7 | 56.6° | 59.9° |
| N2 | C5 | C6 | H51 | 125.3° | 120.0° |
| N2 | C5 | C6 | H52 | 125.3° | 120.0° |
| N2 | C5 | H51 | H52 | 115.6° | 120.0° |
| N2 | C5 | C6 | O2 | 104.4° | 7.4° |
| N2 | C5 | C6 | O1 | 74.9° | 172.6° |
| C5 | N2 | C7 | C8 | 79.7° | 80.0° |
| C5 | N2 | C7 | H71 | 45.5° | 160.0° |
| C5 | N2 | C7 | H72 | 155.0° | 40.0° |
| C7 | N2 | C5 | C6 | 66.4° | 163.4° |
| C7 | N2 | C5 | H51 | 168.4° | 43.4° |
| C7 | N2 | C5 | H52 | 58.9° | 76.6° |
| N2 | C7 | C8 | H71 | 125.2° | 120.0° |
| N2 | C7 | C8 | H72 | 125.3° | 120.0° |
| N2 | C7 | H71 | H72 | 119.0° | 120.0° |
| N2 | C7 | C8 | O5 | 60.4° | 5.3° |
| N2 | C7 | C8 | N4 | 88.3° | 174.8° |
| C6 | C5 | H51 | H52 | 115.6° | 120.0° |
| C5 | C6 | O2 | O1 | 179.2° | 180.0° |
| C5 | C6 | O1 | HO1 | 180.0° | 180.0° |
| H51 | C5 | C6 | O2 | 130.3° | 112.6° |
| H51 | C5 | C6 | O1 | 50.4° | 67.4° |
| H52 | C5 | C6 | O2 | 20.9° | 127.4° |
| H52 | C5 | C6 | O1 | 159.9° | 52.6° |
| O2 | C6 | O1 | HO1 | 0.8° | 0.0° |
| C8 | C7 | H71 | H72 | 119.0° | 120.0° |
| C7 | C8 | O5 | N4 | 161.3° | 180.0° |
| C7 | C8 | N4 | C9 | 138.1° | 180.0° |
| C7 | C8 | N4 | HN4 | 41.9° | 0.0° |
| H71 | C7 | C8 | O5 | 174.3° | 114.7° |
| H71 | C7 | C8 | N4 | 37.0° | 65.2° |
| H72 | C7 | C8 | O5 | 64.9° | 125.3° |
| H72 | C7 | C8 | N4 | 146.5° | 54.7° |
| O5 | C8 | N4 | C9 | 14.5° | 0.0° |
| O5 | C8 | N4 | HN4 | 165.5° | 179.9° |
| C8 | N4 | C9 | HN4 | 180.0° | 180.0° |
| C8 | N4 | C9 | C17 | 110.7° | 180.0° |
| C8 | N4 | C9 | H91 | 124.1° | 60.0° |
| C8 | N4 | C9 | H92 | 14.6° | 60.0° |
| N4 | C9 | C17 | H91 | 125.3° | 120.1° |
| N4 | C9 | C17 | H92 | 125.3° | 120.0° |
| N4 | C9 | H91 | H92 | 104.6° | 120.0° |
| N4 | C9 | C17 | S1 | 68.7° | 180.0° |
| N4 | C9 | C17 | H171 | 166.0° | 60.0° |
| N4 | C9 | C17 | H172 | 56.6° | 60.0° |
| HN4 | N4 | C9 | C17 | 69.3° | 0.0° |
| HN4 | N4 | C9 | H91 | 55.9° | 120.1° |
| HN4 | N4 | C9 | H92 | 165.4° | 120.0° |
| C17 | C9 | H91 | H92 | 104.6° | 119.9° |
| C9 | C17 | S1 | H171 | 125.3° | 120.0° |
| C9 | C17 | S1 | H172 | 125.3° | 120.0° |
| C9 | C17 | H171 | H172 | 110.8° | 119.9° |
| C9 | C17 | S1 | HS1 | 180.0° | 180.0° |
| H91 | C9 | C17 | S1 | 56.5° | 59.9° |
| H91 | C9 | C17 | H171 | 68.7° | 180.0° |
| H91 | C9 | C17 | H172 | 178.2° | 60.1° |
| H92 | C9 | C17 | S1 | 166.0° | 60.0° |
| H92 | C9 | C17 | H171 | 40.7° | 60.0° |
| H92 | C9 | C17 | H172 | 68.7° | 180.0° |
| S1 | C17 | H171 | H172 | 110.8° | 120.0° |
| H171 | C17 | S1 | HS1 | 54.7° | 60.0° |
| H172 | C17 | S1 | HS1 | 54.7° | 60.0° |
