SRS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | N5 | doub | 1.49Å | 1.60Å | |
| S1 | N6 | doub | 1.49Å | 1.59Å | |
| S1 | C2 | sing | 1.81Å | 1.74Å | |
| S1 | C26 | sing | 1.81Å | 1.75Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | C13 | sing | 1.53Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | O3 | doub | 1.21Å | 1.23Å | |
| C4 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | C17 | sing | 1.53Å | 1.54Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | O4 | doub | 1.22Å | 1.23Å | |
| C6 | N3 | sing | 1.36Å | 1.32Å | |
| N3 | C7 | sing | 1.48Å | 1.47Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | N4 | sing | 1.46Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| N4 | C19 | sing | 1.37Å | 1.36Å | Aromatic |
| N4 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | doub | 1.34Å | 1.41Å | Aromatic |
| C18 | C20 | sing | 1.47Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.41Å | 1.42Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C22 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | S1 | N6 | 99.3° | 109.4° |
| N5 | S1 | C2 | 118.9° | 109.5° |
| N5 | S1 | C26 | 115.7° | 109.4° |
| S1 | N5 | HN5 | 114.9° | 119.9° |
| N6 | S1 | C2 | 100.4° | 109.5° |
| N6 | S1 | C26 | 109.3° | 109.5° |
| S1 | N6 | HN6 | 41.1° | 120.0° |
| C2 | S1 | C26 | 110.9° | 109.5° |
| S1 | C2 | C3 | 114.1° | 109.5° |
| S1 | C2 | H21 | 110.5° | 109.4° |
| S1 | C2 | H22A | 110.5° | 109.5° |
| S1 | C26 | H261 | 115.7° | 109.5° |
| S1 | C26 | H262 | 110.0° | 109.5° |
| S1 | C26 | H263 | 109.9° | 109.5° |
| C3 | C2 | H21 | 110.5° | 109.5° |
| C3 | C2 | H22A | 110.5° | 109.5° |
| C2 | C3 | C4 | 114.5° | 109.5° |
| C2 | C3 | C13 | 103.3° | 109.5° |
| C2 | C3 | H3 | 110.0° | 109.5° |
| H21 | C2 | H22A | 99.8° | 109.5° |
| C4 | C3 | C13 | 108.5° | 109.5° |
| C4 | C3 | H3 | 104.9° | 109.4° |
| C3 | C4 | O3 | 121.1° | 120.0° |
| C3 | C4 | N2 | 118.2° | 120.0° |
| C13 | C3 | H3 | 115.8° | 109.5° |
| C3 | C13 | C14 | 124.0° | 109.5° |
| C3 | C13 | H131 | 107.0° | 109.5° |
| C3 | C13 | H132 | 107.1° | 109.5° |
| O3 | C4 | N2 | 120.7° | 120.0° |
| C4 | N2 | C5 | 121.3° | 120.0° |
| C4 | N2 | HN2 | 114.8° | 120.0° |
| C5 | N2 | HN2 | 123.9° | 120.0° |
| N2 | C5 | C6 | 110.0° | 110.2° |
| N2 | C5 | C17 | 109.4° | 109.6° |
| N2 | C5 | H5 | 109.6° | 109.1° |
| C6 | C5 | C17 | 110.7° | 109.7° |
| C6 | C5 | H5 | 108.3° | 109.1° |
| C5 | C6 | O4 | 121.2° | 120.0° |
| C5 | C6 | N3 | 116.8° | 119.7° |
| C17 | C5 | H5 | 108.9° | 109.1° |
| C5 | C17 | C18 | 112.6° | 110.7° |
| C5 | C17 | H171 | 111.1° | 109.5° |
| C5 | C17 | H172 | 111.1° | 109.2° |
| O4 | C6 | N3 | 122.0° | 120.4° |
| C6 | N3 | C7 | 123.3° | 115.8° |
| C6 | N3 | HN3 | 113.0° | 122.7° |
| C7 | N3 | HN3 | 123.7° | 121.4° |
| N3 | C7 | C8 | 107.6° | 108.5° |
| N3 | C7 | H71 | 112.9° | 110.0° |
| N3 | C7 | H72 | 112.9° | 109.5° |
| C8 | C7 | H71 | 112.9° | 109.6° |
| C8 | C7 | H72 | 112.9° | 109.6° |
| C7 | C8 | C9 | 113.6° | 109.7° |
| C7 | C8 | H81 | 110.7° | 109.3° |
| C7 | C8 | H82 | 110.7° | 109.4° |
| H71 | C7 | H72 | 97.5° | 109.6° |
| C9 | C8 | H81 | 110.7° | 109.4° |
| C9 | C8 | H82 | 110.7° | 109.6° |
| C8 | C9 | C10 | 112.7° | 109.7° |
| C8 | C9 | H91 | 111.0° | 109.7° |
| C8 | C9 | H92 | 111.1° | 109.4° |
| H81 | C8 | H82 | 99.6° | 109.3° |
| C10 | C9 | H91 | 111.0° | 109.5° |
| C10 | C9 | H92 | 111.0° | 109.2° |
| C9 | C10 | C11 | 112.8° | 109.5° |
| C9 | C10 | H101 | 111.0° | 109.4° |
| C9 | C10 | H102 | 111.0° | 109.6° |
| H91 | C9 | H92 | 99.3° | 109.2° |
| C11 | C10 | H101 | 110.9° | 109.4° |
| C11 | C10 | H102 | 110.9° | 109.7° |
| C10 | C11 | C12 | 110.4° | 109.8° |
| C10 | C11 | H111 | 111.9° | 109.6° |
| C10 | C11 | H112 | 111.9° | 109.3° |
| H101 | C10 | H102 | 99.4° | 109.3° |
| C12 | C11 | H111 | 111.9° | 109.5° |
| C12 | C11 | H112 | 111.9° | 109.3° |
| C11 | C12 | N4 | 112.4° | 109.8° |
| C11 | C12 | H121 | 111.1° | 109.4° |
| C11 | C12 | H122 | 111.1° | 109.5° |
| H111 | C11 | H112 | 98.5° | 109.2° |
| N4 | C12 | H121 | 111.2° | 109.4° |
| N4 | C12 | H122 | 111.2° | 109.4° |
| C12 | N4 | C19 | 127.9° | 125.1° |
| C12 | N4 | C21 | 124.6° | 125.2° |
| H121 | C12 | H122 | 99.1° | 109.3° |
| C19 | N4 | C21 | 107.3° | 109.7° |
| N4 | C19 | C18 | 111.7° | 110.3° |
| N4 | C19 | H19 | 122.4° | 124.1° |
| N4 | C21 | C20 | 109.2° | 107.1° |
| N4 | C21 | C23 | 130.4° | 133.5° |
| C14 | C13 | H131 | 107.1° | 109.4° |
| C14 | C13 | H132 | 107.0° | 109.5° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C13 | C14 | C16 | 104.5° | 109.5° |
| C13 | C14 | H14 | 109.8° | 109.4° |
| H131 | C13 | H132 | 102.7° | 109.5° |
| C15 | C14 | C16 | 109.2° | 109.5° |
| C15 | C14 | H14 | 105.1° | 109.5° |
| C14 | C15 | H151 | 114.0° | 109.5° |
| C14 | C15 | H152 | 110.6° | 109.5° |
| C14 | C15 | H153 | 110.6° | 109.5° |
| C16 | C14 | H14 | 114.5° | 109.4° |
| C14 | C16 | H161 | 104.5° | 109.5° |
| C14 | C16 | H162 | 114.1° | 109.5° |
| C14 | C16 | H163 | 114.1° | 109.5° |
| H151 | C15 | H152 | 110.5° | 109.5° |
| H151 | C15 | H153 | 110.5° | 109.5° |
| H152 | C15 | H153 | 99.8° | 109.4° |
| H161 | C16 | H162 | 114.0° | 109.5° |
| H161 | C16 | H163 | 114.0° | 109.4° |
| H162 | C16 | H163 | 96.5° | 109.4° |
| C18 | C17 | H171 | 111.0° | 109.4° |
| C18 | C17 | H172 | 111.1° | 109.2° |
| C17 | C18 | C19 | 127.3° | 127.6° |
| C17 | C18 | C20 | 128.2° | 125.7° |
| H171 | C17 | H172 | 99.3° | 108.9° |
| C19 | C18 | C20 | 104.5° | 106.7° |
| C18 | C19 | H19 | 125.9° | 125.5° |
| C18 | C20 | C21 | 107.3° | 106.1° |
| C18 | C20 | C22 | 132.4° | 133.9° |
| C21 | C20 | C22 | 120.3° | 120.0° |
| C20 | C21 | C23 | 120.4° | 119.3° |
| C20 | C22 | C24 | 119.0° | 119.8° |
| C20 | C22 | H22 | 120.5° | 120.1° |
| C21 | C23 | C25 | 118.7° | 119.8° |
| C21 | C23 | H23 | 120.8° | 120.1° |
| C24 | C22 | H22 | 120.5° | 120.1° |
| C22 | C24 | C25 | 121.0° | 120.5° |
| C22 | C24 | H24 | 119.2° | 119.8° |
| C25 | C23 | H23 | 120.5° | 120.1° |
| C23 | C25 | C24 | 120.7° | 120.7° |
| C23 | C25 | H25 | 119.4° | 119.7° |
| C25 | C24 | H24 | 119.9° | 119.8° |
| C24 | C25 | H25 | 119.9° | 119.6° |
| H261 | C26 | H262 | 110.0° | 109.5° |
| H261 | C26 | H263 | 109.9° | 109.5° |
| H262 | C26 | H263 | 100.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | S1 | N6 | C2 | 121.9° | 120.0° |
| N5 | S1 | N6 | C26 | 121.5° | 119.9° |
| N5 | S1 | C2 | C26 | 137.8° | 120.0° |
| N5 | S1 | N6 | HN6 | 45.7° | 180.0° |
| N5 | S1 | C2 | C3 | 31.8° | 53.5° |
| N5 | S1 | C2 | H21 | 93.4° | 173.5° |
| N5 | S1 | C2 | H22A | 157.1° | 66.5° |
| N5 | S1 | C26 | H261 | 179.9° | 60.0° |
| N5 | S1 | C26 | H262 | 54.7° | 180.0° |
| N5 | S1 | C26 | H263 | 54.8° | 60.0° |
| N6 | S1 | C2 | C26 | 115.4° | 120.1° |
| N6 | S1 | N5 | HN5 | 92.3° | 175.6° |
| N6 | S1 | C2 | C3 | 138.6° | 66.5° |
| N6 | S1 | C2 | H21 | 13.4° | 53.5° |
| N6 | S1 | C2 | H22A | 96.1° | 173.6° |
| N6 | S1 | C26 | H261 | 69.1° | 59.9° |
| N6 | S1 | C26 | H262 | 56.2° | 60.1° |
| N6 | S1 | C26 | H263 | 165.7° | 180.0° |
| C2 | S1 | N5 | HN5 | 15.1° | 55.6° |
| C2 | S1 | N6 | HN6 | 167.5° | 60.0° |
| S1 | C2 | C3 | H21 | 125.3° | 120.0° |
| S1 | C2 | C3 | H22A | 125.3° | 120.0° |
| S1 | C2 | H21 | H22A | 116.4° | 120.0° |
| S1 | C2 | C3 | C4 | 96.0° | 56.4° |
| S1 | C2 | C3 | C13 | 146.2° | 63.7° |
| S1 | C2 | C3 | H3 | 21.9° | 176.3° |
| C2 | S1 | C26 | H261 | 40.6° | 180.0° |
| C2 | S1 | C26 | H262 | 166.0° | 60.0° |
| C2 | S1 | C26 | H263 | 84.6° | 59.9° |
| C26 | S1 | N5 | HN5 | 151.0° | 64.4° |
| C26 | S1 | N6 | HN6 | 75.8° | 60.1° |
| C26 | S1 | C2 | C3 | 106.0° | 173.5° |
| C26 | S1 | C2 | H21 | 128.8° | 66.5° |
| C26 | S1 | C2 | H22A | 19.3° | 53.5° |
| S1 | C26 | H261 | H262 | 125.3° | 120.0° |
| S1 | C26 | H261 | H263 | 125.2° | 120.1° |
| S1 | C26 | H262 | H263 | 115.7° | 120.0° |
| C3 | C2 | H21 | H22A | 116.4° | 120.0° |
| C2 | C3 | C4 | C13 | 114.8° | 120.0° |
| C2 | C3 | C4 | H3 | 120.8° | 120.0° |
| C2 | C3 | C13 | H3 | 120.4° | 120.0° |
| C2 | C3 | C4 | O3 | 39.4° | 120.0° |
| C2 | C3 | C4 | N2 | 143.5° | 60.0° |
| C2 | C3 | C13 | C14 | 155.5° | 64.1° |
| C2 | C3 | C13 | H131 | 30.2° | 176.0° |
| C2 | C3 | C13 | H132 | 79.3° | 55.9° |
| H21 | C2 | C3 | C4 | 138.8° | 176.3° |
| H21 | C2 | C3 | C13 | 20.9° | 56.3° |
| H21 | C2 | C3 | H3 | 103.3° | 63.7° |
| H22A | C2 | C3 | C4 | 29.3° | 63.6° |
| H22A | C2 | C3 | C13 | 88.5° | 176.4° |
| H22A | C2 | C3 | H3 | 147.2° | 56.3° |
| C4 | C3 | C13 | H3 | 117.7° | 120.0° |
| C3 | C4 | O3 | N2 | 177.1° | 180.0° |
| C3 | C4 | N2 | C5 | 178.6° | 180.0° |
| C3 | C4 | N2 | HN2 | 1.4° | 0.0° |
| C4 | C3 | C13 | C14 | 82.6° | 175.9° |
| C4 | C3 | C13 | H131 | 152.2° | 56.0° |
| C4 | C3 | C13 | H132 | 42.7° | 64.1° |
| C13 | C3 | C4 | O3 | 75.5° | 0.0° |
| C13 | C3 | C4 | N2 | 101.7° | 180.0° |
| C3 | C13 | C14 | H131 | 125.2° | 120.0° |
| C3 | C13 | C14 | H132 | 125.3° | 120.0° |
| C3 | C13 | H131 | H132 | 112.6° | 120.1° |
| C3 | C13 | C14 | C15 | 39.1° | 173.8° |
| C3 | C13 | C14 | C16 | 158.3° | 66.1° |
| C3 | C13 | C14 | H14 | 78.5° | 53.8° |
| H3 | C3 | C4 | O3 | 160.1° | 120.0° |
| H3 | C3 | C4 | N2 | 22.7° | 60.0° |
| H3 | C3 | C13 | C14 | 35.1° | 55.9° |
| H3 | C3 | C13 | H131 | 90.1° | 64.0° |
| H3 | C3 | C13 | H132 | 160.3° | 175.9° |
| O3 | C4 | N2 | C5 | 1.4° | 0.0° |
| O3 | C4 | N2 | HN2 | 178.6° | 180.0° |
| C4 | N2 | C5 | HN2 | 180.0° | 180.0° |
| C4 | N2 | C5 | C6 | 102.4° | 89.7° |
| C4 | N2 | C5 | C17 | 135.8° | 149.4° |
| C4 | N2 | C5 | H5 | 16.5° | 30.0° |
| N2 | C5 | C6 | C17 | 121.0° | 120.8° |
| N2 | C5 | C6 | H5 | 119.7° | 119.7° |
| N2 | C5 | C17 | H5 | 119.7° | 119.4° |
| N2 | C5 | C6 | O4 | 45.4° | 152.2° |
| N2 | C5 | C6 | N3 | 134.3° | 28.2° |
| N2 | C5 | C17 | C18 | 173.7° | 57.0° |
| N2 | C5 | C17 | H171 | 61.1° | 177.6° |
| N2 | C5 | C17 | H172 | 48.4° | 63.2° |
| HN2 | N2 | C5 | C6 | 77.5° | 90.3° |
| HN2 | N2 | C5 | C17 | 44.3° | 30.6° |
| HN2 | N2 | C5 | H5 | 163.6° | 150.0° |
| C6 | C5 | C17 | H5 | 118.9° | 119.5° |
| C5 | C6 | O4 | N3 | 179.8° | 179.6° |
| C5 | C6 | N3 | C7 | 177.8° | 172.0° |
| C5 | C6 | N3 | HN3 | 2.1° | 8.6° |
| C6 | C5 | C17 | C18 | 52.3° | 64.2° |
| C6 | C5 | C17 | H171 | 177.5° | 56.5° |
| C6 | C5 | C17 | H172 | 73.0° | 175.6° |
| C17 | C5 | C6 | O4 | 75.6° | 31.4° |
| C17 | C5 | C6 | N3 | 104.7° | 149.0° |
| C5 | C17 | C18 | H171 | 125.3° | 120.7° |
| C5 | C17 | C18 | H172 | 125.3° | 120.2° |
| C5 | C17 | H171 | H172 | 117.0° | 119.3° |
| C5 | C17 | C18 | C19 | 86.0° | 25.2° |
| C5 | C17 | C18 | C20 | 95.8° | 155.2° |
| H5 | C5 | C6 | O4 | 165.2° | 88.1° |
| H5 | C5 | C6 | N3 | 14.6° | 91.5° |
| H5 | C5 | C17 | C18 | 66.6° | 176.3° |
| H5 | C5 | C17 | H171 | 58.7° | 63.0° |
| H5 | C5 | C17 | H172 | 168.2° | 56.1° |
| O4 | C6 | N3 | C7 | 2.4° | 8.4° |
| O4 | C6 | N3 | HN3 | 177.6° | 171.0° |
| C6 | N3 | C7 | HN3 | 179.9° | 179.4° |
| C6 | N3 | C7 | C8 | 159.7° | 129.5° |
| C6 | N3 | C7 | H71 | 34.4° | 9.6° |
| C6 | N3 | C7 | H72 | 75.1° | 110.9° |
| N3 | C7 | C8 | H71 | 125.3° | 120.1° |
| N3 | C7 | C8 | H72 | 125.3° | 119.6° |
| N3 | C7 | H71 | H72 | 118.8° | 120.5° |
| N3 | C7 | C8 | C9 | 112.6° | 110.0° |
| N3 | C7 | C8 | H81 | 122.2° | 130.0° |
| N3 | C7 | C8 | H82 | 12.6° | 10.3° |
| HN3 | N3 | C7 | C8 | 20.3° | 51.1° |
| HN3 | N3 | C7 | H71 | 145.6° | 171.0° |
| HN3 | N3 | C7 | H72 | 105.0° | 68.5° |
| C8 | C7 | H71 | H72 | 118.8° | 120.3° |
| C7 | C8 | C9 | H81 | 125.2° | 119.9° |
| C7 | C8 | C9 | H82 | 125.3° | 120.2° |
| C7 | C8 | H81 | H82 | 116.6° | 119.7° |
| C7 | C8 | C9 | C10 | 85.3° | 104.3° |
| C7 | C8 | C9 | H91 | 40.0° | 16.0° |
| C7 | C8 | C9 | H92 | 149.4° | 135.9° |
| H71 | C7 | C8 | C9 | 12.7° | 10.1° |
| H71 | C7 | C8 | H81 | 112.5° | 109.9° |
| H71 | C7 | C8 | H82 | 137.9° | 130.4° |
| H72 | C7 | C8 | C9 | 122.1° | 130.4° |
| H72 | C7 | C8 | H81 | 3.1° | 10.4° |
| H72 | C7 | C8 | H82 | 112.7° | 109.2° |
| C9 | C8 | H81 | H82 | 116.5° | 120.1° |
| C8 | C9 | C10 | H91 | 125.3° | 120.5° |
| C8 | C9 | C10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 116.9° | 119.9° |
| C8 | C9 | C10 | C11 | 134.5° | 141.9° |
| C8 | C9 | C10 | H101 | 100.3° | 98.2° |
| C8 | C9 | C10 | H102 | 9.3° | 21.6° |
| H81 | C8 | C9 | C10 | 149.5° | 135.8° |
| H81 | C8 | C9 | H91 | 85.3° | 103.9° |
| H81 | C8 | C9 | H92 | 24.2° | 16.0° |
| H82 | C8 | C9 | C10 | 40.0° | 15.9° |
| H82 | C8 | C9 | H91 | 165.3° | 136.2° |
| H82 | C8 | C9 | H92 | 85.3° | 104.0° |
| C10 | C9 | H91 | H92 | 116.9° | 119.6° |
| C9 | C10 | C11 | H101 | 125.2° | 119.9° |
| C9 | C10 | C11 | H102 | 125.2° | 120.3° |
| C9 | C10 | H101 | H102 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 157.7° | 161.3° |
| C9 | C10 | C11 | H111 | 32.4° | 40.9° |
| C9 | C10 | C11 | H112 | 77.0° | 78.8° |
| H91 | C9 | C10 | C11 | 9.2° | 21.4° |
| H91 | C9 | C10 | H101 | 134.4° | 141.3° |
| H91 | C9 | C10 | H102 | 116.0° | 98.9° |
| H92 | C9 | C10 | C11 | 100.2° | 98.2° |
| H92 | C9 | C10 | H101 | 25.0° | 21.7° |
| H92 | C9 | C10 | H102 | 134.6° | 141.5° |
| C11 | C10 | H101 | H102 | 116.8° | 120.1° |
| C10 | C11 | C12 | H111 | 125.3° | 120.4° |
| C10 | C11 | C12 | H112 | 125.3° | 119.9° |
| C10 | C11 | H111 | H112 | 117.8° | 119.7° |
| C10 | C11 | C12 | N4 | 37.7° | 89.6° |
| C10 | C11 | C12 | H121 | 163.0° | 150.4° |
| C10 | C11 | C12 | H122 | 87.6° | 30.6° |
| H101 | C10 | C11 | C12 | 77.0° | 78.8° |
| H101 | C10 | C11 | H111 | 157.7° | 160.8° |
| H101 | C10 | C11 | H112 | 48.2° | 41.1° |
| H102 | C10 | C11 | C12 | 32.5° | 41.0° |
| H102 | C10 | C11 | H111 | 92.8° | 79.4° |
| H102 | C10 | C11 | H112 | 157.8° | 160.9° |
| C12 | C11 | H111 | H112 | 117.7° | 119.8° |
| C11 | C12 | N4 | H121 | 125.3° | 120.1° |
| C11 | C12 | N4 | H122 | 125.3° | 120.2° |
| C11 | C12 | H121 | H122 | 117.0° | 119.9° |
| C11 | C12 | N4 | C19 | 68.0° | 33.2° |
| C11 | C12 | N4 | C21 | 106.3° | 146.9° |
| H111 | C11 | C12 | N4 | 87.6° | 30.9° |
| H111 | C11 | C12 | H121 | 37.7° | 89.2° |
| H111 | C11 | C12 | H122 | 147.1° | 151.0° |
| H112 | C11 | C12 | N4 | 163.0° | 150.6° |
| H112 | C11 | C12 | H121 | 71.7° | 30.5° |
| H112 | C11 | C12 | H122 | 37.7° | 89.3° |
| N4 | C12 | H121 | H122 | 117.1° | 119.8° |
| C12 | N4 | C19 | C21 | 175.0° | 179.8° |
| C12 | N4 | C19 | C18 | 174.9° | 178.7° |
| C12 | N4 | C19 | H19 | 5.1° | 1.4° |
| C12 | N4 | C21 | C20 | 175.1° | 178.5° |
| C12 | N4 | C21 | C23 | 4.8° | 1.7° |
| H121 | C12 | N4 | C19 | 57.3° | 153.3° |
| H121 | C12 | N4 | C21 | 128.5° | 26.9° |
| H122 | C12 | N4 | C19 | 166.7° | 87.0° |
| H122 | C12 | N4 | C21 | 19.0° | 92.8° |
| N4 | C19 | C18 | C17 | 178.5° | 179.9° |
| N4 | C19 | C18 | H19 | 180.0° | 179.9° |
| N4 | C19 | C18 | C20 | 0.0° | 0.5° |
| C19 | N4 | C21 | C20 | 0.2° | 1.4° |
| C19 | N4 | C21 | C23 | 179.9° | 178.5° |
| C21 | N4 | C19 | C18 | 0.1° | 1.2° |
| N4 | C21 | C20 | C18 | 0.2° | 1.0° |
| C21 | N4 | C19 | H19 | 179.9° | 178.7° |
| N4 | C21 | C20 | C23 | 179.9° | 179.9° |
| N4 | C21 | C20 | C22 | 179.9° | 179.0° |
| N4 | C21 | C23 | C25 | 179.8° | 179.3° |
| N4 | C21 | C23 | H23 | 0.1° | 0.7° |
| C14 | C13 | H131 | H132 | 112.5° | 120.0° |
| C13 | C14 | C15 | C16 | 116.5° | 120.0° |
| C13 | C14 | C15 | H14 | 120.2° | 120.0° |
| C13 | C14 | C16 | H14 | 120.2° | 119.9° |
| C13 | C14 | C15 | H151 | 180.0° | 180.0° |
| C13 | C14 | C15 | H152 | 54.8° | 59.9° |
| C13 | C14 | C15 | H153 | 54.8° | 60.0° |
| C13 | C14 | C16 | H161 | 180.0° | 64.1° |
| C13 | C14 | C16 | H162 | 54.8° | 56.0° |
| C13 | C14 | C16 | H163 | 54.8° | 176.0° |
| H131 | C13 | C14 | C15 | 86.2° | 66.2° |
| H131 | C13 | C14 | C16 | 33.0° | 53.9° |
| H131 | C13 | C14 | H14 | 156.3° | 173.8° |
| H132 | C13 | C14 | C15 | 164.3° | 53.8° |
| H132 | C13 | C14 | C16 | 76.5° | 173.9° |
| H132 | C13 | C14 | H14 | 46.8° | 66.2° |
| C15 | C14 | C16 | H14 | 117.5° | 120.0° |
| C14 | C15 | H151 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H153 | 125.3° | 120.0° |
| C14 | C15 | H152 | H153 | 116.5° | 120.0° |
| C15 | C14 | C16 | H161 | 57.6° | 56.0° |
| C15 | C14 | C16 | H162 | 67.6° | 176.0° |
| C15 | C14 | C16 | H163 | 177.2° | 63.9° |
| C16 | C14 | C15 | H151 | 63.5° | 60.0° |
| C16 | C14 | C15 | H152 | 171.3° | 180.0° |
| C16 | C14 | C15 | H153 | 61.7° | 60.0° |
| C14 | C16 | H161 | H162 | 125.3° | 120.1° |
| C14 | C16 | H161 | H163 | 125.2° | 120.0° |
| C14 | C16 | H162 | H163 | 120.0° | 120.0° |
| H14 | C14 | C15 | H151 | 59.7° | 60.0° |
| H14 | C14 | C15 | H152 | 65.5° | 60.0° |
| H14 | C14 | C15 | H153 | 175.0° | 180.0° |
| H14 | C14 | C16 | H161 | 59.9° | 176.0° |
| H14 | C14 | C16 | H162 | 174.9° | 63.9° |
| H14 | C14 | C16 | H163 | 65.4° | 56.1° |
| H151 | C15 | H152 | H153 | 116.3° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
| C18 | C17 | H171 | H172 | 116.9° | 119.3° |
| C17 | C18 | C19 | C20 | 178.5° | 179.7° |
| C17 | C18 | C19 | H19 | 1.4° | 0.2° |
| C17 | C18 | C20 | C21 | 178.4° | 179.3° |
| C17 | C18 | C20 | C22 | 1.5° | 0.7° |
| H171 | C17 | C18 | C19 | 148.7° | 95.5° |
| H171 | C17 | C18 | C20 | 29.5° | 84.1° |
| H172 | C17 | C18 | C19 | 39.3° | 145.4° |
| H172 | C17 | C18 | C20 | 138.9° | 35.0° |
| C19 | C18 | C20 | C21 | 0.1° | 0.4° |
| C19 | C18 | C20 | C22 | 180.0° | 179.6° |
| C20 | C18 | C19 | H19 | 180.0° | 179.4° |
| C18 | C20 | C21 | C22 | 179.9° | 180.0° |
| C18 | C20 | C21 | C23 | 179.9° | 178.8° |
| C18 | C20 | C22 | C24 | 179.6° | 179.2° |
| C18 | C20 | C22 | H22 | 0.3° | 0.8° |
| C21 | C20 | C22 | C24 | 0.3° | 0.8° |
| C21 | C20 | C22 | H22 | 179.8° | 179.2° |
| C20 | C21 | C23 | C25 | 0.2° | 0.8° |
| C20 | C21 | C23 | H23 | 179.8° | 179.1° |
| C22 | C20 | C21 | C23 | 0.0° | 1.2° |
| C20 | C22 | C24 | H22 | 180.0° | 180.0° |
| C20 | C22 | C24 | C25 | 0.3° | 0.1° |
| C20 | C22 | C24 | H24 | 179.7° | 179.9° |
| C21 | C23 | C25 | H23 | 180.0° | 180.0° |
| C21 | C23 | C25 | C24 | 0.2° | 0.1° |
| C21 | C23 | C25 | H25 | 179.8° | 180.0° |
| C22 | C24 | C25 | C23 | 0.0° | 0.2° |
| C22 | C24 | C25 | H24 | 180.0° | 179.8° |
| C22 | C24 | C25 | H25 | 180.0° | 179.6° |
| H22 | C22 | C24 | C25 | 179.8° | 179.9° |
| H22 | C22 | C24 | H24 | 0.3° | 0.1° |
| C23 | C25 | C24 | H25 | 180.0° | 179.8° |
| C23 | C25 | C24 | H24 | 180.0° | 179.6° |
| H23 | C23 | C25 | C24 | 179.8° | 179.8° |
| H23 | C23 | C25 | H25 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.6° |
| H261 | C26 | H262 | H263 | 115.7° | 119.9° |
