5PI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O1 | doub | 1.21Å | 1.23Å | |
| C14 | N5 | sing | 1.35Å | 1.38Å | |
| C14 | C5 | sing | 1.51Å | 1.55Å | |
| N5 | C15 | sing | 1.46Å | 1.50Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C15 | C18 | sing | 1.53Å | 1.50Å | |
| C15 | C20 | sing | 1.51Å | 1.54Å | |
| C15 | H15 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | C2 | sing | 1.51Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | O5 | doub | 1.21Å | 1.22Å | |
| C20 | N6 | sing | 1.35Å | 1.30Å | |
| N6 | C21 | sing | 1.47Å | 1.44Å | |
| 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 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.48Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C26 | N1 | sing | 1.38Å | 1.33Å | |
| C26 | N2 | doub | 1.30Å | 1.34Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| N1 | HN12 | sing | 0.97Å | 1.02Å | |
| C2 | O2 | doub | 1.21Å | 1.20Å | |
| C2 | N3 | sing | 1.35Å | 1.31Å | |
| N3 | HN31 | sing | 0.97Å | 1.02Å | |
| N3 | HN32 | sing | 0.97Å | 1.02Å | |
| C1 | C5 | sing | 1.53Å | 1.57Å | |
| C1 | C28 | sing | 1.51Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| N4 | C5 | sing | 1.46Å | 1.45Å | |
| N4 | S1 | sing | 1.66Å | 1.68Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| S1 | O4 | doub | 1.42Å | 1.42Å | |
| S1 | O3 | doub | 1.42Å | 1.42Å | |
| S1 | C9 | sing | 1.81Å | 1.76Å | |
| C9 | C8 | sing | 1.53Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| 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 | 1.11Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C13 | C12 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C6 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| C3 | N7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C4 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C27 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C6 | O6 | sing | 1.36Å | 1.40Å | |
| N7 | C29 | sing | 1.37Å | 1.35Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C29 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| O6 | C7 | sing | 1.43Å | 1.42Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | N5 | 123.2° | 120.0° |
| O1 | C14 | C5 | 117.6° | 119.9° |
| N5 | C14 | C5 | 119.2° | 120.1° |
| C14 | N5 | C15 | 119.6° | 120.0° |
| C14 | N5 | HN5 | 116.1° | 119.9° |
| C14 | C5 | C1 | 114.6° | 109.5° |
| C14 | C5 | N4 | 101.6° | 109.6° |
| C14 | C5 | H5 | 112.6° | 109.4° |
| C15 | N5 | HN5 | 124.3° | 120.0° |
| N5 | C15 | C18 | 114.2° | 109.5° |
| N5 | C15 | C20 | 112.5° | 109.5° |
| N5 | C15 | H15 | 102.6° | 109.5° |
| C18 | C15 | C20 | 105.1° | 109.4° |
| C18 | C15 | H15 | 110.4° | 109.5° |
| C15 | C18 | C19 | 112.0° | 109.4° |
| C15 | C18 | H181 | 111.3° | 109.5° |
| C15 | C18 | H182 | 111.3° | 109.5° |
| C20 | C15 | H15 | 112.1° | 109.4° |
| C15 | C20 | O5 | 122.1° | 120.0° |
| C15 | C20 | N6 | 114.9° | 120.0° |
| C19 | C18 | H181 | 111.3° | 109.4° |
| C19 | C18 | H182 | 111.3° | 109.5° |
| C18 | C19 | C2 | 111.7° | 109.5° |
| C18 | C19 | H191 | 111.4° | 109.5° |
| C18 | C19 | H192 | 111.4° | 109.5° |
| H181 | C18 | H182 | 99.1° | 109.4° |
| C2 | C19 | H191 | 111.4° | 109.5° |
| C2 | C19 | H192 | 111.4° | 109.4° |
| C19 | C2 | O2 | 121.8° | 120.0° |
| C19 | C2 | N3 | 114.5° | 120.0° |
| H191 | C19 | H192 | 99.0° | 109.5° |
| O5 | C20 | N6 | 123.0° | 120.0° |
| C20 | N6 | C21 | 116.6° | 120.0° |
| C20 | N6 | HN6 | 117.1° | 120.1° |
| C21 | N6 | HN6 | 126.2° | 120.0° |
| N6 | C21 | C25 | 115.6° | 109.5° |
| N6 | C21 | H211 | 110.0° | 109.5° |
| N6 | C21 | H212 | 110.0° | 109.5° |
| C25 | C21 | H211 | 110.0° | 109.5° |
| C25 | C21 | H212 | 110.0° | 109.4° |
| C21 | C25 | C16 | 121.7° | 119.8° |
| C21 | C25 | C24 | 118.8° | 119.9° |
| H211 | C21 | H212 | 100.3° | 109.5° |
| C17 | C16 | C25 | 119.6° | 120.1° |
| C17 | C16 | H16 | 119.6° | 120.0° |
| C16 | C17 | C22 | 120.7° | 120.0° |
| C16 | C17 | H17 | 119.0° | 120.0° |
| C25 | C16 | H16 | 120.8° | 119.9° |
| C16 | C25 | C24 | 119.5° | 120.3° |
| C22 | C17 | H17 | 120.3° | 120.0° |
| C17 | C22 | C23 | 118.6° | 119.7° |
| C17 | C22 | C26 | 120.7° | 120.2° |
| C23 | C22 | C26 | 120.6° | 120.1° |
| C22 | C23 | C24 | 120.8° | 119.9° |
| C22 | C23 | H23 | 120.2° | 120.1° |
| C22 | C26 | N1 | 121.0° | 120.0° |
| C22 | C26 | N2 | 121.6° | 120.0° |
| C24 | C23 | H23 | 119.0° | 120.0° |
| C23 | C24 | C25 | 120.5° | 120.1° |
| C23 | C24 | H24 | 119.2° | 119.9° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| N1 | C26 | N2 | 117.3° | 120.0° |
| C26 | N1 | HN11 | 108.1° | 120.1° |
| C26 | N1 | HN12 | 121.0° | 120.0° |
| C26 | N2 | HN2 | 92.5° | 120.0° |
| HN11 | N1 | HN12 | 108.0° | 119.9° |
| O2 | C2 | N3 | 123.7° | 120.0° |
| C2 | N3 | HN31 | 114.5° | 120.0° |
| C2 | N3 | HN32 | 123.7° | 120.0° |
| HN31 | N3 | HN32 | 121.7° | 120.0° |
| C5 | C1 | C28 | 116.7° | 109.5° |
| C5 | C1 | H11 | 109.6° | 109.5° |
| C5 | C1 | H12A | 109.6° | 109.5° |
| C1 | C5 | N4 | 112.8° | 109.5° |
| C1 | C5 | H5 | 101.3° | 109.4° |
| C28 | C1 | H11 | 109.6° | 109.5° |
| C28 | C1 | H12A | 109.6° | 109.4° |
| C1 | C28 | C4 | 128.6° | 126.5° |
| C1 | C28 | C29 | 125.2° | 126.5° |
| H11 | C1 | H12A | 100.6° | 109.5° |
| C5 | N4 | S1 | 117.8° | 120.0° |
| C5 | N4 | HN4 | 109.2° | 119.9° |
| N4 | C5 | H5 | 114.4° | 109.5° |
| S1 | N4 | HN4 | 109.2° | 120.0° |
| N4 | S1 | O4 | 100.5° | 102.8° |
| N4 | S1 | O3 | 101.9° | 102.8° |
| N4 | S1 | C9 | 110.5° | 103.2° |
| O4 | S1 | O3 | 124.6° | 122.1° |
| O4 | S1 | C9 | 106.1° | 111.6° |
| O3 | S1 | C9 | 112.1° | 111.6° |
| S1 | C9 | C8 | 111.4° | 109.5° |
| S1 | C9 | H91 | 111.5° | 109.5° |
| S1 | C9 | H92 | 111.5° | 109.5° |
| C8 | C9 | H91 | 111.4° | 109.5° |
| C8 | C9 | H92 | 111.5° | 109.5° |
| C9 | C8 | H81 | 111.5° | 109.4° |
| C9 | C8 | H82 | 111.5° | 109.5° |
| C9 | C8 | H83 | 111.5° | 109.5° |
| H91 | C9 | H92 | 98.9° | 109.5° |
| H81 | C8 | H82 | 111.5° | 109.5° |
| H81 | C8 | H83 | 98.9° | 109.4° |
| H82 | C8 | H83 | 111.4° | 109.5° |
| C12 | C13 | C6 | 119.3° | 120.6° |
| C12 | C13 | H13 | 120.5° | 119.7° |
| C13 | C12 | C3 | 122.3° | 120.0° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C6 | C13 | H13 | 120.2° | 119.7° |
| C13 | C6 | C27 | 117.5° | 120.2° |
| C13 | C6 | O6 | 116.9° | 119.9° |
| C3 | C12 | H12 | 117.6° | 120.0° |
| C12 | C3 | C4 | 119.1° | 119.6° |
| C12 | C3 | N7 | 133.5° | 133.4° |
| C4 | C3 | N7 | 107.2° | 107.1° |
| C3 | C4 | C27 | 118.8° | 119.9° |
| C3 | C4 | C28 | 106.5° | 106.1° |
| C3 | N7 | C29 | 109.8° | 109.9° |
| C3 | N7 | HN7 | 126.0° | 125.1° |
| C27 | C4 | C28 | 134.5° | 134.0° |
| C4 | C27 | C6 | 122.9° | 119.6° |
| C4 | C27 | H27 | 117.1° | 120.2° |
| C4 | C28 | C29 | 106.1° | 107.0° |
| C6 | C27 | H27 | 120.1° | 120.2° |
| C27 | C6 | O6 | 125.6° | 119.9° |
| C6 | O6 | C7 | 115.4° | 106.8° |
| C29 | N7 | HN7 | 124.2° | 125.1° |
| N7 | C29 | C28 | 110.3° | 110.0° |
| N7 | C29 | H29 | 123.4° | 125.0° |
| C28 | C29 | H29 | 126.3° | 125.0° |
| O6 | C7 | C10 | 107.5° | 109.4° |
| O6 | C7 | H71 | 112.9° | 109.4° |
| O6 | C7 | H72 | 112.9° | 109.5° |
| C10 | C7 | H71 | 112.9° | 109.5° |
| C10 | C7 | H72 | 112.9° | 109.5° |
| C7 | C10 | C11 | 112.1° | 109.4° |
| C7 | C10 | H101 | 111.3° | 109.5° |
| C7 | C10 | H102 | 111.2° | 109.4° |
| H71 | C7 | H72 | 97.5° | 109.5° |
| C11 | C10 | H101 | 111.3° | 109.5° |
| C11 | C10 | H102 | 111.3° | 109.5° |
| C10 | C11 | H111 | 111.3° | 109.4° |
| C10 | C11 | H112 | 112.1° | 109.5° |
| C10 | C11 | H113 | 111.3° | 109.4° |
| H101 | C10 | H102 | 99.1° | 109.5° |
| H111 | C11 | H112 | 111.2° | 109.5° |
| H111 | C11 | H113 | 99.1° | 109.5° |
| H112 | C11 | H113 | 111.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | N5 | C5 | 179.5° | 179.9° |
| O1 | C14 | N5 | C15 | 6.8° | 0.0° |
| O1 | C14 | N5 | HN5 | 173.2° | 180.0° |
| O1 | C14 | C5 | C1 | 81.3° | 90.1° |
| O1 | C14 | C5 | N4 | 40.7° | 30.0° |
| O1 | C14 | C5 | H5 | 163.6° | 150.0° |
| C14 | N5 | C15 | HN5 | 180.0° | 180.0° |
| C14 | N5 | C15 | C18 | 178.3° | 90.0° |
| C14 | N5 | C15 | C20 | 58.6° | 150.0° |
| C14 | N5 | C15 | H15 | 62.2° | 30.0° |
| N5 | C14 | C5 | C1 | 99.2° | 90.0° |
| N5 | C14 | C5 | N4 | 138.8° | 150.0° |
| N5 | C14 | C5 | H5 | 15.9° | 29.9° |
| C5 | C14 | N5 | C15 | 173.7° | 179.9° |
| C5 | C14 | N5 | HN5 | 6.3° | 0.0° |
| C14 | C5 | C1 | N4 | 115.7° | 120.1° |
| C14 | C5 | C1 | H5 | 121.5° | 119.9° |
| C14 | C5 | C1 | C28 | 171.8° | 179.9° |
| C14 | C5 | C1 | H11 | 46.5° | 60.0° |
| C14 | C5 | C1 | H12A | 62.9° | 60.0° |
| C14 | C5 | N4 | H5 | 121.6° | 120.0° |
| C14 | C5 | N4 | S1 | 114.1° | 120.0° |
| C14 | C5 | N4 | HN4 | 11.2° | 60.0° |
| N5 | C15 | C18 | C20 | 123.8° | 120.0° |
| N5 | C15 | C18 | H15 | 115.0° | 120.0° |
| N5 | C15 | C20 | H15 | 115.1° | 120.0° |
| N5 | C15 | C18 | C19 | 54.1° | 60.0° |
| N5 | C15 | C18 | H181 | 179.4° | 60.0° |
| N5 | C15 | C18 | H182 | 71.1° | 180.0° |
| N5 | C15 | C20 | O5 | 42.4° | 0.0° |
| N5 | C15 | C20 | N6 | 137.3° | 180.0° |
| HN5 | N5 | C15 | C18 | 1.7° | 90.0° |
| HN5 | N5 | C15 | C20 | 121.4° | 30.0° |
| HN5 | N5 | C15 | H15 | 117.8° | 149.9° |
| C18 | C15 | C20 | H15 | 120.0° | 120.0° |
| C15 | C18 | C19 | H181 | 125.2° | 120.0° |
| C15 | C18 | C19 | H182 | 125.3° | 120.0° |
| C15 | C18 | H181 | H182 | 117.2° | 120.0° |
| C15 | C18 | C19 | C2 | 175.0° | 180.0° |
| C15 | C18 | C19 | H191 | 59.7° | 60.0° |
| C15 | C18 | C19 | H192 | 49.8° | 60.0° |
| C18 | C15 | C20 | O5 | 82.4° | 120.0° |
| C18 | C15 | C20 | N6 | 97.8° | 60.0° |
| C20 | C15 | C18 | C19 | 178.0° | 180.0° |
| C20 | C15 | C18 | H181 | 56.8° | 60.0° |
| C20 | C15 | C18 | H182 | 52.7° | 60.0° |
| C15 | C20 | O5 | N6 | 179.8° | 180.0° |
| C15 | C20 | N6 | C21 | 178.7° | 180.0° |
| C15 | C20 | N6 | HN6 | 1.3° | 0.0° |
| H15 | C15 | C18 | C19 | 60.9° | 60.0° |
| H15 | C15 | C18 | H181 | 64.3° | 180.0° |
| H15 | C15 | C18 | H182 | 173.8° | 60.0° |
| H15 | C15 | C20 | O5 | 157.6° | 120.0° |
| H15 | C15 | C20 | N6 | 22.2° | 60.0° |
| C19 | C18 | H181 | H182 | 117.2° | 120.0° |
| C18 | C19 | C2 | H191 | 125.3° | 120.0° |
| C18 | C19 | C2 | H192 | 125.2° | 120.0° |
| C18 | C19 | H191 | H192 | 117.3° | 120.0° |
| C18 | C19 | C2 | O2 | 73.0° | 0.0° |
| C18 | C19 | C2 | N3 | 108.3° | 180.0° |
| H181 | C18 | C19 | C2 | 49.8° | 60.0° |
| H181 | C18 | C19 | H191 | 175.0° | 180.0° |
| H181 | C18 | C19 | H192 | 75.5° | 60.0° |
| H182 | C18 | C19 | C2 | 59.7° | 60.0° |
| H182 | C18 | C19 | H191 | 65.5° | 60.0° |
| H182 | C18 | C19 | H192 | 175.0° | 180.0° |
| C2 | C19 | H191 | H192 | 117.3° | 120.0° |
| C19 | C2 | O2 | N3 | 178.6° | 180.0° |
| C19 | C2 | N3 | HN31 | 180.0° | 180.0° |
| C19 | C2 | N3 | HN32 | 1.3° | 0.1° |
| H191 | C19 | C2 | O2 | 52.2° | 120.0° |
| H191 | C19 | C2 | N3 | 126.5° | 60.0° |
| H192 | C19 | C2 | O2 | 161.7° | 120.0° |
| H192 | C19 | C2 | N3 | 17.0° | 60.0° |
| O5 | C20 | N6 | C21 | 1.5° | 0.0° |
| O5 | C20 | N6 | HN6 | 178.5° | 180.0° |
| C20 | N6 | C21 | HN6 | 180.0° | 180.0° |
| C20 | N6 | C21 | C25 | 97.3° | 180.0° |
| C20 | N6 | C21 | H211 | 27.9° | 60.0° |
| C20 | N6 | C21 | H212 | 137.4° | 60.0° |
| N6 | C21 | C25 | H211 | 125.2° | 120.0° |
| N6 | C21 | C25 | H212 | 125.3° | 120.0° |
| N6 | C21 | H211 | H212 | 115.8° | 120.0° |
| N6 | C21 | C25 | C16 | 57.0° | 90.0° |
| N6 | C21 | C25 | C24 | 121.0° | 90.3° |
| HN6 | N6 | C21 | C25 | 82.7° | 0.0° |
| HN6 | N6 | C21 | H211 | 152.0° | 120.0° |
| HN6 | N6 | C21 | H212 | 42.6° | 120.0° |
| C25 | C21 | H211 | H212 | 115.8° | 120.0° |
| C21 | C25 | C16 | C17 | 175.3° | 180.0° |
| C21 | C25 | C16 | C24 | 178.0° | 179.7° |
| C21 | C25 | C16 | H16 | 4.7° | 0.0° |
| C21 | C25 | C24 | C23 | 173.6° | 179.7° |
| C21 | C25 | C24 | H24 | 6.4° | 0.3° |
| H211 | C21 | C25 | C16 | 68.3° | 30.0° |
| H211 | C21 | C25 | C24 | 113.7° | 149.7° |
| H212 | C21 | C25 | C16 | 177.8° | 150.0° |
| H212 | C21 | C25 | C24 | 4.2° | 29.7° |
| C17 | C16 | C25 | H16 | 180.0° | 180.0° |
| C16 | C17 | C22 | H17 | 180.0° | 180.0° |
| C16 | C17 | C22 | C23 | 6.0° | 0.0° |
| C16 | C17 | C22 | C26 | 170.0° | 180.0° |
| C17 | C16 | C25 | C24 | 2.7° | 0.3° |
| C25 | C16 | C17 | C22 | 2.6° | 0.0° |
| C25 | C16 | C17 | H17 | 177.5° | 180.0° |
| C16 | C25 | C24 | C23 | 4.4° | 0.6° |
| C16 | C25 | C24 | H24 | 175.6° | 180.0° |
| H16 | C16 | C17 | C22 | 177.5° | 180.0° |
| H16 | C16 | C17 | H17 | 2.5° | 0.0° |
| H16 | C16 | C25 | C24 | 177.3° | 179.7° |
| C17 | C22 | C23 | C26 | 176.0° | 180.0° |
| C17 | C22 | C23 | C24 | 4.2° | 0.3° |
| C17 | C22 | C23 | H23 | 175.8° | 180.0° |
| C17 | C22 | C26 | N1 | 6.5° | 180.0° |
| C17 | C22 | C26 | N2 | 168.7° | 0.1° |
| H17 | C17 | C22 | C23 | 174.1° | 180.0° |
| H17 | C17 | C22 | C26 | 9.9° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 1.0° | 0.6° |
| C22 | C23 | C24 | H24 | 179.0° | 180.0° |
| C23 | C22 | C26 | N1 | 177.6° | 0.0° |
| C23 | C22 | C26 | N2 | 7.2° | 179.9° |
| C26 | C22 | C23 | C24 | 171.8° | 179.7° |
| C26 | C22 | C23 | H23 | 8.2° | 0.0° |
| C22 | C26 | N1 | N2 | 175.4° | 179.9° |
| C22 | C26 | N1 | HN11 | 54.7° | 180.0° |
| C22 | C26 | N1 | HN12 | 180.0° | 0.0° |
| C22 | C26 | N2 | HN2 | 37.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.5° |
| H23 | C23 | C24 | C25 | 179.0° | 179.7° |
| H23 | C23 | C24 | H24 | 1.0° | 0.3° |
| C26 | N1 | HN11 | HN12 | 132.6° | 180.0° |
| N1 | C26 | N2 | HN2 | 138.4° | 0.0° |
| N2 | C26 | N1 | HN11 | 120.7° | 0.1° |
| N2 | C26 | N1 | HN12 | 4.6° | 179.9° |
| O2 | C2 | N3 | HN31 | 1.3° | 0.0° |
| O2 | C2 | N3 | HN32 | 180.0° | 179.9° |
| C2 | N3 | HN31 | HN32 | 178.7° | 179.9° |
| C5 | C1 | C28 | H11 | 125.3° | 120.0° |
| C5 | C1 | C28 | H12A | 125.3° | 120.0° |
| C5 | C1 | H11 | H12A | 115.3° | 120.0° |
| C1 | C5 | N4 | H5 | 115.1° | 119.9° |
| C1 | C5 | N4 | S1 | 122.6° | 120.0° |
| C1 | C5 | N4 | HN4 | 112.1° | 60.0° |
| C5 | C1 | C28 | C4 | 85.9° | 90.0° |
| C5 | C1 | C28 | C29 | 97.3° | 90.0° |
| C28 | C1 | H11 | H12A | 115.4° | 119.9° |
| C28 | C1 | C5 | N4 | 56.1° | 60.0° |
| C28 | C1 | C5 | H5 | 66.6° | 60.0° |
| C1 | C28 | C4 | C3 | 178.8° | 180.0° |
| C1 | C28 | C4 | C27 | 3.4° | 0.2° |
| C1 | C28 | C4 | C29 | 177.3° | 180.0° |
| C1 | C28 | C29 | N7 | 178.5° | 180.0° |
| C1 | C28 | C29 | H29 | 1.5° | 0.1° |
| H11 | C1 | C5 | N4 | 69.1° | 60.1° |
| H11 | C1 | C5 | H5 | 168.1° | 180.0° |
| H11 | C1 | C28 | C4 | 148.8° | 30.0° |
| H11 | C1 | C28 | C29 | 28.0° | 149.9° |
| H12A | C1 | C5 | N4 | 178.6° | 179.9° |
| H12A | C1 | C5 | H5 | 58.7° | 60.0° |
| H12A | C1 | C28 | C4 | 39.3° | 150.0° |
| H12A | C1 | C28 | C29 | 137.5° | 30.0° |
| C5 | N4 | S1 | HN4 | 125.3° | 180.0° |
| C5 | N4 | S1 | O4 | 39.6° | 176.2° |
| C5 | N4 | S1 | O3 | 168.5° | 56.2° |
| C5 | N4 | S1 | C9 | 72.2° | 60.1° |
| S1 | N4 | C5 | H5 | 7.5° | 0.0° |
| N4 | S1 | O4 | O3 | 112.4° | 114.3° |
| N4 | S1 | O4 | C9 | 115.1° | 110.0° |
| N4 | S1 | O3 | C9 | 118.1° | 110.0° |
| N4 | S1 | C9 | C8 | 81.6° | 180.0° |
| N4 | S1 | C9 | H91 | 43.6° | 60.0° |
| N4 | S1 | C9 | H92 | 153.1° | 60.0° |
| HN4 | N4 | C5 | H5 | 132.8° | 180.0° |
| HN4 | N4 | S1 | O4 | 85.7° | 3.8° |
| HN4 | N4 | S1 | O3 | 43.2° | 123.8° |
| HN4 | N4 | S1 | C9 | 162.5° | 120.0° |
| O4 | S1 | O3 | C9 | 130.2° | 135.7° |
| O4 | S1 | C9 | C8 | 170.3° | 70.3° |
| O4 | S1 | C9 | H91 | 64.4° | 169.8° |
| O4 | S1 | C9 | H92 | 45.1° | 49.7° |
| O3 | S1 | C9 | C8 | 31.3° | 70.2° |
| O3 | S1 | C9 | H91 | 156.5° | 49.7° |
| O3 | S1 | C9 | H92 | 94.0° | 169.8° |
| S1 | C9 | C8 | H91 | 125.3° | 120.0° |
| S1 | C9 | C8 | H92 | 125.3° | 120.0° |
| S1 | C9 | H91 | H92 | 117.4° | 120.0° |
| S1 | C9 | C8 | H81 | 54.8° | 180.0° |
| S1 | C9 | C8 | H82 | 180.0° | 60.1° |
| S1 | C9 | C8 | H83 | 54.7° | 60.0° |
| C8 | C9 | H91 | H92 | 117.4° | 120.0° |
| C9 | C8 | H81 | H82 | 125.2° | 120.0° |
| C9 | C8 | H81 | H83 | 117.4° | 120.0° |
| C9 | C8 | H82 | H83 | 125.2° | 120.0° |
| H91 | C9 | C8 | H81 | 180.0° | 60.0° |
| H91 | C9 | C8 | H82 | 54.7° | 180.0° |
| H91 | C9 | C8 | H83 | 70.5° | 60.0° |
| H92 | C9 | C8 | H81 | 70.5° | 60.0° |
| H92 | C9 | C8 | H82 | 54.8° | 59.9° |
| H92 | C9 | C8 | H83 | NaN° | NaN° |
| H81 | C8 | H82 | H83 | 109.5° | 120.0° |
| C12 | C13 | C6 | H13 | 180.0° | 179.8° |
| C13 | C12 | C3 | H12 | 180.0° | 179.9° |
| C13 | C12 | C3 | C4 | 1.3° | 0.1° |
| C13 | C12 | C3 | N7 | 174.8° | 180.0° |
| C12 | C13 | C6 | C27 | 1.7° | 0.4° |
| C12 | C13 | C6 | O6 | 177.1° | 179.9° |
| C6 | C13 | C12 | C3 | 0.7° | 0.1° |
| C6 | C13 | C12 | H12 | 179.3° | 180.0° |
| C13 | C6 | C27 | C4 | 0.7° | 0.5° |
| C13 | C6 | C27 | O6 | 178.7° | 179.7° |
| C13 | C6 | C27 | H27 | 179.3° | 179.6° |
| C13 | C6 | O6 | C7 | 135.1° | 0.0° |
| H13 | C13 | C12 | C3 | 179.3° | 180.0° |
| H13 | C13 | C12 | H12 | 0.7° | 0.1° |
| H13 | C13 | C6 | C27 | 178.3° | 179.8° |
| H13 | C13 | C6 | O6 | 2.9° | 0.1° |
| C12 | C3 | C4 | N7 | 177.0° | 179.9° |
| C12 | C3 | C4 | C27 | 2.2° | 0.2° |
| C12 | C3 | C4 | C28 | 178.5° | 179.9° |
| C12 | C3 | N7 | C29 | 177.2° | 179.9° |
| C12 | C3 | N7 | HN7 | 2.8° | 0.2° |
| H12 | C12 | C3 | C4 | 178.8° | 180.0° |
| H12 | C12 | C3 | N7 | 5.2° | 0.1° |
| C3 | C4 | C27 | C28 | 175.0° | 179.8° |
| C3 | C4 | C27 | C6 | 1.2° | 0.5° |
| C3 | C4 | C27 | H27 | 178.8° | 179.7° |
| C4 | C3 | N7 | C29 | 0.8° | 0.0° |
| C4 | C3 | N7 | HN7 | 179.1° | 179.9° |
| C3 | C4 | C28 | C29 | 1.6° | 0.0° |
| N7 | C3 | C4 | C27 | 174.8° | 179.8° |
| N7 | C3 | C4 | C28 | 1.5° | 0.0° |
| C3 | N7 | C29 | HN7 | 180.0° | 179.9° |
| C3 | N7 | C29 | C28 | 0.2° | 0.0° |
| C3 | N7 | C29 | H29 | 179.8° | 179.9° |
| C4 | C27 | C6 | H27 | 180.0° | 179.8° |
| C4 | C27 | C6 | O6 | 178.0° | 179.8° |
| C27 | C4 | C28 | C29 | 173.9° | 179.8° |
| C28 | C4 | C27 | C6 | 176.2° | 179.8° |
| C28 | C4 | C27 | H27 | 3.8° | 0.1° |
| C4 | C28 | C29 | N7 | 1.1° | 0.0° |
| C4 | C28 | C29 | H29 | 178.9° | 179.9° |
| C27 | C6 | O6 | C7 | 46.2° | 179.7° |
| H27 | C27 | C6 | O6 | 2.0° | 0.1° |
| C6 | O6 | C7 | C10 | 177.7° | 180.0° |
| C6 | O6 | C7 | H71 | 57.1° | 60.0° |
| C6 | O6 | C7 | H72 | 52.4° | 60.0° |
| N7 | C29 | C28 | H29 | 180.0° | 179.9° |
| HN7 | N7 | C29 | C28 | 179.8° | 179.9° |
| HN7 | N7 | C29 | H29 | 0.2° | 0.0° |
| O6 | C7 | C10 | H71 | 125.3° | 119.9° |
| O6 | C7 | C10 | H72 | 125.2° | 120.0° |
| O6 | C7 | H71 | H72 | 118.8° | 120.0° |
| O6 | C7 | C10 | C11 | 176.6° | 180.0° |
| O6 | C7 | C10 | H101 | 51.4° | 60.0° |
| O6 | C7 | C10 | H102 | 58.1° | 60.0° |
| C10 | C7 | H71 | H72 | 118.9° | 120.0° |
| C7 | C10 | C11 | H101 | 125.3° | 120.0° |
| C7 | C10 | C11 | H102 | 125.3° | 119.9° |
| C7 | C10 | H101 | H102 | 117.1° | 120.0° |
| C7 | C10 | C11 | H111 | 54.7° | 180.0° |
| C7 | C10 | C11 | H112 | 180.0° | 60.0° |
| C7 | C10 | C11 | H113 | 54.7° | 60.0° |
| H71 | C7 | C10 | C11 | 58.1° | 60.0° |
| H71 | C7 | C10 | H101 | 176.6° | 180.0° |
| H71 | C7 | C10 | H102 | 67.2° | 59.9° |
| H72 | C7 | C10 | C11 | 51.4° | 60.0° |
| H72 | C7 | C10 | H101 | 73.9° | 60.0° |
| H72 | C7 | C10 | H102 | 176.7° | 180.0° |
| C11 | C10 | H101 | H102 | 117.2° | 120.0° |
| C10 | C11 | H111 | H112 | 125.7° | 120.0° |
| C10 | C11 | H111 | H113 | 117.2° | 120.0° |
| C10 | C11 | H112 | H113 | 125.3° | 120.0° |
| H101 | C10 | C11 | H111 | 180.0° | 60.0° |
| H101 | C10 | C11 | H112 | 54.7° | 60.0° |
| H101 | C10 | C11 | H113 | 70.5° | 180.0° |
| H102 | C10 | C11 | H111 | 70.5° | 60.1° |
| H102 | C10 | C11 | H112 | 54.7° | 179.9° |
| H102 | C10 | C11 | H113 | 180.0° | 59.9° |
| H111 | C11 | H112 | H113 | 109.4° | 120.0° |
