P5B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O1 | doub | 1.21Å | 1.22Å | |
| C14 | N5 | sing | 1.35Å | 1.37Å | |
| C14 | C5 | sing | 1.51Å | 1.56Å | |
| N5 | C15 | sing | 1.47Å | 1.45Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C15 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | C20 | sing | 1.51Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C2 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C20 | N6 | sing | 1.35Å | 1.35Å | |
| N6 | C21 | sing | 1.46Å | 1.43Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C21 | C25 | sing | 1.51Å | 1.50Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.47Å | |
| C23 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C26 | N1 | doub | 1.30Å | 1.33Å | |
| C26 | N2 | sing | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.21Å | 1.21Å | |
| C2 | N3 | sing | 1.35Å | 1.32Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| C1 | C5 | sing | 1.53Å | 1.52Å | |
| C1 | C12 | sing | 1.51Å | 1.49Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| N4 | C5 | sing | 1.46Å | 1.45Å | |
| N4 | S1 | sing | 1.66Å | 1.72Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| S1 | O4 | doub | 1.42Å | 1.42Å | |
| S1 | O3 | doub | 1.42Å | 1.42Å | |
| S1 | C9 | sing | 1.81Å | 1.72Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C10 | C7 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C7 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C12 | sing | 1.46Å | 1.43Å | Aromatic |
| C11 | C6 | doub | 1.37Å | 1.44Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| N7 | C13 | sing | 1.37Å | 1.35Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C13 | C12 | doub | 1.34Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | N5 | 122.8° | 120.0° |
| O1 | C14 | C5 | 119.9° | 120.0° |
| N5 | C14 | C5 | 117.2° | 120.0° |
| C14 | N5 | C15 | 118.3° | 120.0° |
| C14 | N5 | HN5 | 118.0° | 120.1° |
| C14 | C5 | C1 | 108.7° | 109.4° |
| C14 | C5 | N4 | 109.9° | 109.5° |
| C14 | C5 | H5 | 109.6° | 109.5° |
| C15 | N5 | HN5 | 123.8° | 119.9° |
| N5 | C15 | C18 | 110.8° | 109.5° |
| N5 | C15 | C20 | 108.2° | 109.5° |
| N5 | C15 | H15 | 110.3° | 109.5° |
| C18 | C15 | C20 | 111.8° | 109.5° |
| C18 | C15 | H15 | 106.5° | 109.5° |
| C15 | C18 | C19 | 114.6° | 109.5° |
| C15 | C18 | H181 | 110.3° | 109.5° |
| C15 | C18 | H182 | 110.4° | 109.5° |
| C20 | C15 | H15 | 109.3° | 109.4° |
| C15 | C20 | O5 | 121.0° | 120.0° |
| C15 | C20 | N6 | 113.8° | 120.1° |
| C19 | C18 | H181 | 110.4° | 109.4° |
| C19 | C18 | H182 | 110.3° | 109.4° |
| C18 | C19 | C2 | 106.9° | 109.5° |
| C18 | C19 | H191 | 113.2° | 109.5° |
| C18 | C19 | H192 | 113.2° | 109.5° |
| H181 | C18 | H182 | 99.9° | 109.5° |
| C2 | C19 | H191 | 113.2° | 109.5° |
| C2 | C19 | H192 | 113.2° | 109.4° |
| C19 | C2 | O2 | 121.7° | 120.0° |
| C19 | C2 | N3 | 115.0° | 120.0° |
| H191 | C19 | H192 | 97.3° | 109.5° |
| O5 | C20 | N6 | 125.1° | 120.0° |
| C20 | N6 | C21 | 116.5° | 120.0° |
| C20 | N6 | HN6 | 119.0° | 119.9° |
| C21 | N6 | HN6 | 124.6° | 120.1° |
| N6 | C21 | C25 | 114.8° | 109.5° |
| N6 | C21 | H211 | 110.3° | 109.5° |
| N6 | C21 | H212 | 110.3° | 109.5° |
| C25 | C21 | H211 | 110.3° | 109.4° |
| C25 | C21 | H212 | 110.3° | 109.4° |
| C21 | C25 | C16 | 119.4° | 119.9° |
| C21 | C25 | C24 | 120.8° | 119.9° |
| H211 | C21 | H212 | 100.0° | 109.5° |
| C17 | C16 | C25 | 119.4° | 120.2° |
| C17 | C16 | H16 | 119.9° | 119.9° |
| C16 | C17 | C22 | 121.4° | 119.9° |
| C16 | C17 | H17 | 118.9° | 120.1° |
| C25 | C16 | H16 | 120.7° | 119.9° |
| C16 | C25 | C24 | 119.8° | 120.2° |
| C22 | C17 | H17 | 119.7° | 120.0° |
| C17 | C22 | C23 | 119.1° | 119.7° |
| C17 | C22 | C26 | 119.5° | 120.2° |
| C23 | C22 | C26 | 121.4° | 120.2° |
| C22 | C23 | C24 | 120.1° | 119.9° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C22 | C26 | N1 | 119.9° | 120.0° |
| C22 | C26 | N2 | 122.3° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.1° |
| C23 | C24 | C25 | 120.2° | 120.2° |
| C23 | C24 | H24 | 119.8° | 119.9° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| N1 | C26 | N2 | 117.8° | 120.0° |
| C26 | N1 | HN1 | 102.1° | 120.0° |
| C26 | N2 | HN21 | 107.7° | 120.0° |
| C26 | N2 | HN22 | 122.3° | 120.0° |
| O2 | C2 | N3 | 123.2° | 120.0° |
| C2 | N3 | HN31 | 115.0° | 120.0° |
| C2 | N3 | HN32 | 123.2° | 120.0° |
| HN31 | N3 | HN32 | 121.6° | 120.0° |
| C5 | C1 | C12 | 111.2° | 109.5° |
| C5 | C1 | H11A | 111.6° | 109.5° |
| C5 | C1 | H12 | 111.6° | 109.5° |
| C1 | C5 | N4 | 109.2° | 109.5° |
| C1 | C5 | H5 | 110.3° | 109.5° |
| C12 | C1 | H11A | 111.6° | 109.5° |
| C12 | C1 | H12 | 111.6° | 109.5° |
| C1 | C12 | C4 | 128.0° | 126.5° |
| C1 | C12 | C13 | 125.2° | 126.5° |
| H11A | C1 | H12 | 98.8° | 109.4° |
| C5 | N4 | S1 | 117.8° | 120.0° |
| C5 | N4 | HN4 | 109.2° | 120.0° |
| N4 | C5 | H5 | 109.1° | 109.5° |
| S1 | N4 | HN4 | 109.2° | 120.0° |
| N4 | S1 | O4 | 103.4° | 102.8° |
| N4 | S1 | O3 | 104.4° | 102.8° |
| N4 | S1 | C9 | 107.7° | 103.2° |
| O4 | S1 | O3 | 120.1° | 122.1° |
| O4 | S1 | C9 | 109.7° | 111.6° |
| O3 | S1 | C9 | 110.6° | 111.6° |
| S1 | C9 | C8 | 102.7° | 109.5° |
| S1 | C9 | H91 | 114.8° | 109.5° |
| S1 | C9 | H92 | 114.8° | 109.5° |
| C8 | C9 | H91 | 114.8° | 109.4° |
| C8 | C9 | H92 | 114.8° | 109.5° |
| C9 | C8 | H81 | 114.8° | 109.5° |
| C9 | C8 | H82 | 102.7° | 109.5° |
| C9 | C8 | H83 | 114.8° | 109.4° |
| H91 | C9 | H92 | 95.7° | 109.4° |
| H81 | C8 | H82 | 114.8° | 109.5° |
| H81 | C8 | H83 | 95.7° | 109.5° |
| H82 | C8 | H83 | 114.8° | 109.4° |
| HN21 | N2 | HN22 | 107.6° | 120.0° |
| C7 | C10 | C6 | 119.2° | 120.7° |
| C7 | C10 | H10 | 120.8° | 119.6° |
| C10 | C7 | C3 | 122.1° | 119.7° |
| C10 | C7 | H7 | 120.6° | 120.1° |
| C6 | C10 | H10 | 120.0° | 119.7° |
| C10 | C6 | C11 | 118.1° | 120.5° |
| C10 | C6 | H6 | 120.5° | 119.7° |
| C3 | C7 | H7 | 117.2° | 120.1° |
| C7 | C3 | C4 | 119.3° | 119.4° |
| C7 | C3 | N7 | 133.0° | 133.5° |
| C4 | C3 | N7 | 107.8° | 107.2° |
| C3 | C4 | C11 | 119.0° | 119.9° |
| C3 | C4 | C12 | 105.8° | 106.0° |
| C3 | N7 | C13 | 109.6° | 109.9° |
| C3 | N7 | HN7 | 126.2° | 125.1° |
| C11 | C4 | C12 | 135.2° | 134.1° |
| C4 | C11 | C6 | 122.3° | 119.8° |
| C4 | C11 | H11 | 117.6° | 120.1° |
| C4 | C12 | C13 | 106.8° | 107.0° |
| C6 | C11 | H11 | 120.1° | 120.1° |
| C11 | C6 | H6 | 121.3° | 119.8° |
| C13 | N7 | HN7 | 124.2° | 125.0° |
| N7 | C13 | C12 | 110.1° | 109.9° |
| N7 | C13 | H13 | 123.3° | 125.1° |
| C12 | C13 | H13 | 126.6° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | N5 | C5 | 180.0° | 179.9° |
| O1 | C14 | N5 | C15 | 0.6° | 0.0° |
| O1 | C14 | N5 | HN5 | 179.4° | 180.0° |
| O1 | C14 | C5 | C1 | 84.8° | 100.1° |
| O1 | C14 | C5 | N4 | 34.7° | 20.0° |
| O1 | C14 | C5 | H5 | 154.6° | 140.0° |
| C14 | N5 | C15 | HN5 | 180.0° | 180.0° |
| C14 | N5 | C15 | C18 | 173.6° | 85.0° |
| C14 | N5 | C15 | C20 | 50.7° | 155.0° |
| C14 | N5 | C15 | H15 | 68.7° | 35.0° |
| N5 | C14 | C5 | C1 | 95.2° | 80.0° |
| N5 | C14 | C5 | N4 | 145.3° | 160.0° |
| N5 | C14 | C5 | H5 | 25.4° | 40.0° |
| C5 | C14 | N5 | C15 | 179.4° | 180.0° |
| C5 | C14 | N5 | HN5 | 0.6° | 0.1° |
| C14 | C5 | C1 | N4 | 119.9° | 120.0° |
| C14 | C5 | C1 | H5 | 120.2° | 120.0° |
| C14 | C5 | C1 | C12 | 167.1° | 175.0° |
| C14 | C5 | C1 | H11A | 67.6° | 55.0° |
| C14 | C5 | C1 | H12 | 41.8° | 65.0° |
| C14 | C5 | N4 | H5 | 120.2° | 120.0° |
| C14 | C5 | N4 | S1 | 101.4° | 95.0° |
| C14 | C5 | N4 | HN4 | 23.8° | 85.0° |
| N5 | C15 | C18 | C20 | 120.7° | 120.1° |
| N5 | C15 | C18 | H15 | 120.0° | 120.0° |
| N5 | C15 | C20 | H15 | 120.1° | 120.0° |
| N5 | C15 | C18 | C19 | 60.1° | 65.0° |
| N5 | C15 | C18 | H181 | 174.6° | 55.0° |
| N5 | C15 | C18 | H182 | 65.1° | 175.0° |
| N5 | C15 | C20 | O5 | 38.2° | 0.0° |
| N5 | C15 | C20 | N6 | 141.0° | 180.0° |
| HN5 | N5 | C15 | C18 | 6.4° | 95.0° |
| HN5 | N5 | C15 | C20 | 129.3° | 25.0° |
| HN5 | N5 | C15 | H15 | 111.3° | 145.0° |
| C18 | C15 | C20 | H15 | 117.7° | 120.0° |
| C15 | C18 | C19 | H181 | 125.3° | 120.0° |
| C15 | C18 | C19 | H182 | 125.3° | 120.0° |
| C15 | C18 | H181 | H182 | 116.2° | 120.1° |
| C15 | C18 | C19 | C2 | 171.7° | 180.0° |
| C15 | C18 | C19 | H191 | 63.0° | 60.0° |
| C15 | C18 | C19 | H192 | 46.5° | 60.0° |
| C18 | C15 | C20 | O5 | 84.0° | 120.0° |
| C18 | C15 | C20 | N6 | 96.8° | 60.0° |
| C20 | C15 | C18 | C19 | 179.1° | 174.9° |
| C20 | C15 | C18 | H181 | 53.9° | 65.1° |
| C20 | C15 | C18 | H182 | 55.6° | 55.0° |
| C15 | C20 | O5 | N6 | 179.1° | 180.0° |
| C15 | C20 | N6 | C21 | 179.1° | 180.0° |
| C15 | C20 | N6 | HN6 | 0.9° | 0.1° |
| H15 | C15 | C18 | C19 | 59.9° | 55.0° |
| H15 | C15 | C18 | H181 | 65.4° | 175.0° |
| H15 | C15 | C18 | H182 | 174.9° | 65.0° |
| H15 | C15 | C20 | O5 | 158.3° | 120.1° |
| H15 | C15 | C20 | N6 | 20.9° | 60.0° |
| C19 | C18 | H181 | H182 | 116.2° | 119.9° |
| C18 | C19 | C2 | H191 | 125.2° | 120.1° |
| C18 | C19 | C2 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 119.1° | 120.0° |
| C18 | C19 | C2 | O2 | 52.2° | 0.1° |
| C18 | C19 | C2 | N3 | 123.2° | 180.0° |
| H181 | C18 | C19 | C2 | 46.5° | 60.0° |
| H181 | C18 | C19 | H191 | 171.7° | 180.0° |
| H181 | C18 | C19 | H192 | 78.8° | 60.0° |
| H182 | C18 | C19 | C2 | 63.0° | 60.0° |
| H182 | C18 | C19 | H191 | 62.3° | 60.0° |
| H182 | C18 | C19 | H192 | 171.8° | 180.0° |
| C2 | C19 | H191 | H192 | 119.1° | 120.0° |
| C19 | C2 | O2 | N3 | 175.1° | 179.9° |
| C19 | C2 | N3 | HN31 | 180.0° | 0.0° |
| C19 | C2 | N3 | HN32 | 4.6° | 180.0° |
| H191 | C19 | C2 | O2 | 73.0° | 120.0° |
| H191 | C19 | C2 | N3 | 111.5° | 60.0° |
| H192 | C19 | C2 | O2 | 177.5° | 120.0° |
| H192 | C19 | C2 | N3 | 2.1° | 60.0° |
| O5 | C20 | N6 | C21 | 1.7° | 0.1° |
| O5 | C20 | N6 | HN6 | 178.3° | 180.0° |
| C20 | N6 | C21 | HN6 | 180.0° | 179.9° |
| C20 | N6 | C21 | C25 | 100.1° | 180.0° |
| C20 | N6 | C21 | H211 | 25.1° | 60.1° |
| C20 | N6 | C21 | H212 | 134.6° | 60.0° |
| N6 | C21 | C25 | H211 | 125.3° | 120.0° |
| N6 | C21 | C25 | H212 | 125.2° | 120.0° |
| N6 | C21 | H211 | H212 | 116.1° | 120.1° |
| N6 | C21 | C25 | C16 | 62.4° | 90.0° |
| N6 | C21 | C25 | C24 | 117.5° | 90.3° |
| HN6 | N6 | C21 | C25 | 79.9° | 0.1° |
| HN6 | N6 | C21 | H211 | 154.9° | 120.0° |
| HN6 | N6 | C21 | H212 | 45.4° | 119.9° |
| C25 | C21 | H211 | H212 | 116.1° | 119.9° |
| C21 | C25 | C16 | C17 | 179.3° | 180.0° |
| C21 | C25 | C16 | C24 | 179.9° | 179.7° |
| C21 | C25 | C16 | H16 | 0.7° | 0.0° |
| C21 | C25 | C24 | C23 | 179.3° | 179.7° |
| C21 | C25 | C24 | H24 | 0.6° | 0.2° |
| H211 | C21 | C25 | C16 | 62.8° | 30.0° |
| H211 | C21 | C25 | C24 | 117.2° | 149.7° |
| H212 | C21 | C25 | C16 | 172.3° | 150.0° |
| H212 | C21 | C25 | C24 | 7.7° | 29.8° |
| C17 | C16 | C25 | H16 | 180.0° | 179.9° |
| C16 | C17 | C22 | H17 | 180.0° | 179.9° |
| C16 | C17 | C22 | C23 | 3.0° | 0.1° |
| C16 | C17 | C22 | C26 | 176.6° | 180.0° |
| C17 | C16 | C25 | C24 | 0.8° | 0.3° |
| C25 | C16 | C17 | C22 | 2.6° | 0.0° |
| C25 | C16 | C17 | H17 | 177.4° | 180.0° |
| C16 | C25 | C24 | C23 | 0.6° | 0.6° |
| C16 | C25 | C24 | H24 | 179.4° | 180.0° |
| H16 | C16 | C17 | C22 | 177.3° | 180.0° |
| H16 | C16 | C17 | H17 | 2.6° | 0.1° |
| H16 | C16 | C25 | C24 | 179.2° | 179.8° |
| C17 | C22 | C23 | C26 | 179.6° | 179.9° |
| C17 | C22 | C23 | C24 | 1.6° | 0.3° |
| C17 | C22 | C23 | H23 | 178.4° | 180.0° |
| C17 | C22 | C26 | N1 | 14.7° | 0.1° |
| C17 | C22 | C26 | N2 | 167.2° | 180.0° |
| H17 | C17 | C22 | C23 | 177.0° | 180.0° |
| H17 | C17 | C22 | C26 | 3.4° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.2° | 0.6° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C22 | C26 | N1 | 165.7° | 180.0° |
| C23 | C22 | C26 | N2 | 12.4° | 0.1° |
| C26 | C22 | C23 | C24 | 178.0° | 179.8° |
| C26 | C22 | C23 | H23 | 2.0° | 0.1° |
| C22 | C26 | N1 | N2 | 178.2° | 179.9° |
| C22 | C26 | N1 | HN1 | 64.8° | 180.0° |
| C22 | C26 | N2 | HN21 | 54.8° | 0.0° |
| C22 | C26 | N2 | HN22 | 180.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.5° |
| H23 | C23 | C24 | C25 | 179.8° | 179.8° |
| H23 | C23 | C24 | H24 | 0.2° | 0.3° |
| N1 | C26 | N2 | HN21 | 123.4° | 179.9° |
| N1 | C26 | N2 | HN22 | 1.8° | 0.0° |
| N2 | C26 | N1 | HN1 | 113.4° | 0.0° |
| C26 | N2 | HN21 | HN22 | 133.5° | 180.0° |
| O2 | C2 | N3 | HN31 | 4.6° | 180.0° |
| O2 | C2 | N3 | HN32 | 180.0° | 0.0° |
| C2 | N3 | HN31 | HN32 | 175.4° | 180.0° |
| C5 | C1 | C12 | H11A | 125.3° | 120.0° |
| C5 | C1 | C12 | H12 | 125.3° | 120.0° |
| C5 | C1 | H11A | H12 | 117.5° | 120.0° |
| C1 | C5 | N4 | H5 | 120.6° | 120.0° |
| C1 | C5 | N4 | S1 | 139.4° | 145.0° |
| C1 | C5 | N4 | HN4 | 95.4° | 35.0° |
| C5 | C1 | C12 | C4 | 104.5° | 84.7° |
| C5 | C1 | C12 | C13 | 76.8° | 95.0° |
| C12 | C1 | H11A | H12 | 117.5° | 120.0° |
| C12 | C1 | C5 | N4 | 72.9° | 65.0° |
| C12 | C1 | C5 | H5 | 46.9° | 55.0° |
| C1 | C12 | C4 | C3 | 179.8° | 179.9° |
| C1 | C12 | C4 | C11 | 0.8° | 0.7° |
| C1 | C12 | C4 | C13 | 178.8° | 179.8° |
| C1 | C12 | C13 | N7 | 179.1° | 180.0° |
| C1 | C12 | C13 | H13 | 0.9° | 0.0° |
| H11A | C1 | C5 | N4 | 52.3° | 175.0° |
| H11A | C1 | C5 | H5 | 172.2° | 65.0° |
| H11A | C1 | C12 | C4 | 20.7° | 35.3° |
| H11A | C1 | C12 | C13 | 157.9° | 145.0° |
| H12 | C1 | C5 | N4 | 161.8° | 55.0° |
| H12 | C1 | C5 | H5 | 78.4° | 175.0° |
| H12 | C1 | C12 | C4 | 130.2° | 155.3° |
| H12 | C1 | C12 | C13 | 48.5° | 25.0° |
| C5 | N4 | S1 | HN4 | 125.2° | 180.0° |
| C5 | N4 | S1 | O4 | 43.3° | 178.8° |
| C5 | N4 | S1 | O3 | 169.6° | 51.2° |
| C5 | N4 | S1 | C9 | 72.8° | 65.0° |
| S1 | N4 | C5 | H5 | 18.8° | 25.0° |
| N4 | S1 | O4 | O3 | 115.6° | 114.3° |
| N4 | S1 | O4 | C9 | 114.6° | 110.0° |
| N4 | S1 | O3 | C9 | 115.6° | 109.9° |
| N4 | S1 | C9 | C8 | 74.4° | 180.0° |
| N4 | S1 | C9 | H91 | 50.9° | 60.0° |
| N4 | S1 | C9 | H92 | 160.3° | 60.0° |
| HN4 | N4 | C5 | H5 | 144.0° | 155.0° |
| HN4 | N4 | S1 | O4 | 82.0° | 1.1° |
| HN4 | N4 | S1 | O3 | 44.4° | 128.8° |
| HN4 | N4 | S1 | C9 | 162.0° | 115.0° |
| O4 | S1 | O3 | C9 | 129.3° | 135.8° |
| O4 | S1 | C9 | C8 | 173.7° | 70.2° |
| O4 | S1 | C9 | H91 | 61.0° | 49.7° |
| O4 | S1 | C9 | H92 | 48.4° | 169.7° |
| O3 | S1 | C9 | C8 | 39.0° | 70.3° |
| O3 | S1 | C9 | H91 | 164.3° | 169.7° |
| O3 | S1 | C9 | H92 | 86.2° | 49.7° |
| S1 | C9 | C8 | H91 | 125.3° | 120.0° |
| S1 | C9 | C8 | H92 | 125.3° | 120.1° |
| S1 | C9 | H91 | H92 | 120.6° | 120.0° |
| S1 | C9 | C8 | H81 | 54.7° | 180.0° |
| S1 | C9 | C8 | H82 | 180.0° | 59.9° |
| S1 | C9 | C8 | H83 | 54.8° | 60.0° |
| C8 | C9 | H91 | H92 | 120.7° | 120.0° |
| C9 | C8 | H81 | H82 | 118.7° | 120.1° |
| C9 | C8 | H81 | H83 | 120.7° | 120.0° |
| C9 | C8 | H82 | H83 | 125.2° | 119.9° |
| H91 | C9 | C8 | H81 | 180.0° | 60.0° |
| H91 | C9 | C8 | H82 | 54.7° | 60.1° |
| H91 | C9 | C8 | H83 | 70.5° | 180.0° |
| H92 | C9 | C8 | H81 | 70.5° | 59.9° |
| H92 | C9 | C8 | H82 | 54.8° | NaN° |
| H92 | C9 | C8 | H83 | 180.0° | 60.1° |
| H81 | C8 | H82 | H83 | 109.5° | 120.0° |
| C7 | C10 | C6 | H10 | 180.0° | 180.0° |
| C10 | C7 | C3 | H7 | 180.0° | 180.0° |
| C10 | C7 | C3 | C4 | 1.0° | 0.2° |
| C10 | C7 | C3 | N7 | 178.9° | 180.0° |
| C7 | C10 | C6 | C11 | 0.8° | 0.0° |
| C7 | C10 | C6 | H6 | 179.2° | 180.0° |
| C6 | C10 | C7 | C3 | 0.4° | 0.0° |
| C6 | C10 | C7 | H7 | 179.5° | 180.0° |
| C10 | C6 | C11 | C4 | 0.3° | 0.3° |
| C10 | C6 | C11 | H6 | 180.0° | 179.9° |
| C10 | C6 | C11 | H11 | 179.7° | 180.0° |
| H10 | C10 | C7 | C3 | 179.6° | 180.0° |
| H10 | C10 | C7 | H7 | 0.4° | 0.0° |
| H10 | C10 | C6 | C11 | 179.2° | 179.9° |
| H10 | C10 | C6 | H6 | 0.8° | 0.0° |
| C7 | C3 | C4 | N7 | 179.9° | 179.8° |
| C7 | C3 | C4 | C11 | 2.1° | 0.5° |
| C7 | C3 | C4 | C12 | 178.8° | 179.8° |
| C7 | C3 | N7 | C13 | 178.9° | 180.0° |
| C7 | C3 | N7 | HN7 | 1.1° | 0.0° |
| H7 | C7 | C3 | C4 | 179.0° | 179.7° |
| H7 | C7 | C3 | N7 | 1.1° | 0.0° |
| C3 | C4 | C11 | C12 | 178.8° | 179.1° |
| C3 | C4 | C11 | C6 | 1.8° | 0.6° |
| C3 | C4 | C11 | H11 | 178.2° | 179.7° |
| C4 | C3 | N7 | C13 | 1.2° | 0.2° |
| C4 | C3 | N7 | HN7 | 178.8° | 179.8° |
| C3 | C4 | C12 | C13 | 0.9° | 0.3° |
| N7 | C3 | C4 | C11 | 177.8° | 179.6° |
| N7 | C3 | C4 | C12 | 1.3° | 0.3° |
| C3 | N7 | C13 | HN7 | 180.0° | 180.0° |
| C3 | N7 | C13 | C12 | 0.6° | 0.0° |
| C3 | N7 | C13 | H13 | 179.4° | 180.0° |
| C4 | C11 | C6 | H11 | 180.0° | 179.7° |
| C4 | C11 | C6 | H6 | 179.7° | 179.7° |
| C11 | C4 | C12 | C13 | 178.0° | 179.5° |
| C12 | C4 | C11 | C6 | 179.4° | 179.7° |
| C12 | C4 | C11 | H11 | 0.6° | 0.6° |
| C4 | C12 | C13 | N7 | 0.2° | 0.2° |
| C4 | C12 | C13 | H13 | 179.8° | 179.8° |
| H11 | C11 | C6 | H6 | 0.3° | 0.0° |
| N7 | C13 | C12 | H13 | 180.0° | 180.0° |
| HN7 | N7 | C13 | C12 | 179.4° | 180.0° |
| HN7 | N7 | C13 | H13 | 0.6° | 0.0° |
