BUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C3 | doub | 1.22Å | 1.27Å | |
| C3 | O8 | sing | 1.22Å | 1.26Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C5 | sing | 1.53Å | 1.55Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | C10 | sing | 1.53Å | 1.54Å | |
| C5 | N4 | sing | 1.46Å | 1.47Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | N6 | sing | 1.47Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N6 | C14 | sing | 1.47Å | 1.48Å | |
| N6 | C13 | sing | 1.47Å | 1.48Å | |
| N6 | C12 | sing | 1.47Å | 1.47Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| N4 | C1 | sing | 1.35Å | 1.36Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C1 | O7 | doub | 1.22Å | 1.24Å | |
| C1 | N11 | sing | 1.35Å | 1.36Å | |
| N11 | C15 | sing | 1.46Å | 1.46Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C24 | sing | 1.53Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C19 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | C18 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C17 | C28 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C3 | O8 | 121.8° | 120.1° |
| O9 | C3 | C2 | 119.6° | 120.0° |
| O8 | C3 | C2 | 118.6° | 120.0° |
| C3 | C2 | C5 | 114.4° | 109.5° |
| C3 | C2 | H21 | 106.7° | 109.5° |
| C3 | C2 | H22 | 107.8° | 109.5° |
| C5 | C2 | H21 | 106.7° | 109.5° |
| C5 | C2 | H22 | 107.9° | 109.5° |
| C2 | C5 | C10 | 114.3° | 109.4° |
| C2 | C5 | N4 | 105.8° | 109.5° |
| C2 | C5 | H5 | 107.9° | 109.5° |
| H21 | C2 | H22 | 113.4° | 109.5° |
| C10 | C5 | N4 | 106.9° | 109.5° |
| C10 | C5 | H5 | 106.8° | 109.5° |
| C5 | C10 | N6 | 116.5° | 109.4° |
| C5 | C10 | H101 | 105.6° | 109.4° |
| C5 | C10 | H102 | 107.2° | 109.5° |
| N4 | C5 | H5 | 115.2° | 109.5° |
| C5 | N4 | C1 | 118.9° | 120.0° |
| C5 | N4 | HN4 | 120.6° | 120.0° |
| N6 | C10 | H101 | 105.6° | 109.5° |
| N6 | C10 | H102 | 107.2° | 109.5° |
| C10 | N6 | C14 | 114.7° | 109.5° |
| C10 | N6 | C13 | 113.0° | 109.5° |
| C10 | N6 | C12 | 107.6° | 109.5° |
| H101 | C10 | H102 | 115.1° | 109.4° |
| C14 | N6 | C13 | 108.2° | 109.4° |
| C14 | N6 | C12 | 104.4° | 109.5° |
| N6 | C14 | H141 | 109.5° | 109.5° |
| N6 | C14 | H142 | 109.4° | 109.5° |
| N6 | C14 | H143 | 109.5° | 109.5° |
| C13 | N6 | C12 | 108.4° | 109.5° |
| N6 | C13 | H131 | 109.5° | 109.4° |
| N6 | C13 | H132 | 109.5° | 109.5° |
| N6 | C13 | H133 | 109.5° | 109.4° |
| N6 | C12 | H121 | 109.5° | 109.5° |
| N6 | C12 | H122 | 109.4° | 109.5° |
| N6 | C12 | H123 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.4° | 109.4° |
| C1 | N4 | HN4 | 120.6° | 120.0° |
| N4 | C1 | O7 | 118.4° | 120.0° |
| N4 | C1 | N11 | 121.6° | 120.0° |
| O7 | C1 | N11 | 120.0° | 120.0° |
| C1 | N11 | C15 | 127.9° | 120.0° |
| C1 | N11 | H11 | 116.1° | 120.0° |
| C15 | N11 | H11 | 116.0° | 120.0° |
| N11 | C15 | C16 | 105.6° | 109.4° |
| N11 | C15 | H151 | 111.6° | 109.5° |
| N11 | C15 | H152 | 110.8° | 109.5° |
| C16 | C15 | H151 | 111.6° | 109.5° |
| C16 | C15 | H152 | 110.8° | 109.5° |
| C15 | C16 | C24 | 117.8° | 109.4° |
| C15 | C16 | H161 | 104.9° | 109.5° |
| C15 | C16 | H162 | 106.7° | 109.5° |
| H151 | C15 | H152 | 106.5° | 109.5° |
| C24 | C16 | H161 | 104.8° | 109.5° |
| C24 | C16 | H162 | 106.8° | 109.5° |
| C16 | C24 | C26 | 113.1° | 109.5° |
| C16 | C24 | H241 | 107.4° | 109.5° |
| C16 | C24 | H242 | 108.3° | 109.5° |
| H161 | C16 | H162 | 116.3° | 109.5° |
| C26 | C24 | H241 | 107.5° | 109.4° |
| C26 | C24 | H242 | 108.3° | 109.5° |
| C24 | C26 | C27 | 111.4° | 109.5° |
| C24 | C26 | H261 | 108.4° | 109.5° |
| C24 | C26 | H262 | 108.8° | 109.4° |
| H241 | C24 | H242 | 112.4° | 109.4° |
| C27 | C26 | H261 | 108.4° | 109.5° |
| C27 | C26 | H262 | 108.8° | 109.5° |
| C26 | C27 | C19 | 113.7° | 109.4° |
| C26 | C27 | H271 | 107.2° | 109.5° |
| C26 | C27 | H272 | 108.1° | 109.5° |
| H261 | C26 | H262 | 111.0° | 109.5° |
| C19 | C27 | H271 | 107.1° | 109.5° |
| C19 | C27 | H272 | 108.1° | 109.5° |
| C27 | C19 | C20 | 110.4° | 109.4° |
| C27 | C19 | H191 | 109.0° | 109.5° |
| C27 | C19 | H192 | 109.2° | 109.5° |
| H271 | C27 | H272 | 112.8° | 109.5° |
| C20 | C19 | H191 | 108.9° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.5° |
| C19 | C20 | C21 | 112.5° | 109.5° |
| C19 | C20 | H201 | 107.8° | 109.5° |
| C19 | C20 | H202 | 108.5° | 109.5° |
| H191 | C19 | H192 | 110.2° | 109.5° |
| C21 | C20 | H201 | 107.8° | 109.4° |
| C21 | C20 | H202 | 108.5° | 109.5° |
| C20 | C21 | C22 | 112.0° | 109.5° |
| C20 | C21 | H211 | 108.1° | 109.5° |
| C20 | C21 | H212 | 108.6° | 109.5° |
| H201 | C20 | H202 | 111.9° | 109.5° |
| C22 | C21 | H211 | 108.1° | 109.5° |
| C22 | C21 | H212 | 108.7° | 109.4° |
| C21 | C22 | C23 | 109.8° | 109.4° |
| C21 | C22 | H221 | 109.2° | 109.5° |
| C21 | C22 | H222 | 109.3° | 109.4° |
| H211 | C21 | H212 | 111.4° | 109.4° |
| C23 | C22 | H221 | 109.3° | 109.5° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C22 | C23 | C25 | 113.8° | 109.4° |
| C22 | C23 | H231 | 107.1° | 109.5° |
| C22 | C23 | H232 | 108.1° | 109.5° |
| H221 | C22 | H222 | 109.8° | 109.5° |
| C25 | C23 | H231 | 107.1° | 109.4° |
| C25 | C23 | H232 | 108.0° | 109.5° |
| C23 | C25 | C18 | 108.6° | 109.5° |
| C23 | C25 | H251 | 109.9° | 109.4° |
| C23 | C25 | H252 | 109.7° | 109.5° |
| H231 | C23 | H232 | 112.9° | 109.5° |
| C18 | C25 | H251 | 110.0° | 109.5° |
| C18 | C25 | H252 | 109.8° | 109.5° |
| C25 | C18 | C17 | 113.4° | 109.5° |
| C25 | C18 | H181 | 107.3° | 109.5° |
| C25 | C18 | H182 | 108.2° | 109.5° |
| H251 | C25 | H252 | 108.8° | 109.5° |
| C17 | C18 | H181 | 107.3° | 109.5° |
| C17 | C18 | H182 | 108.2° | 109.5° |
| C18 | C17 | C28 | 112.2° | 109.5° |
| C18 | C17 | H171 | 108.0° | 109.5° |
| C18 | C17 | H172 | 108.6° | 109.5° |
| H181 | C18 | H182 | 112.6° | 109.4° |
| C28 | C17 | H171 | 108.0° | 109.5° |
| C28 | C17 | H172 | 108.6° | 109.5° |
| C17 | C28 | H281 | 109.4° | 109.4° |
| C17 | C28 | H282 | 109.5° | 109.5° |
| C17 | C28 | H283 | 109.5° | 109.5° |
| H171 | C17 | H172 | 111.6° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C3 | O8 | C2 | 179.5° | 180.0° |
| O9 | C3 | C2 | C5 | 158.3° | 5.8° |
| O9 | C3 | C2 | H21 | 40.5° | 114.2° |
| O9 | C3 | C2 | H22 | 81.7° | 125.8° |
| O8 | C3 | C2 | C5 | 22.2° | 174.2° |
| O8 | C3 | C2 | H21 | 140.0° | 65.8° |
| O8 | C3 | C2 | H22 | 97.8° | 54.2° |
| C3 | C2 | C5 | H21 | 117.8° | 120.0° |
| C3 | C2 | C5 | H22 | 120.0° | 120.0° |
| C3 | C2 | H21 | H22 | 118.6° | 120.0° |
| C3 | C2 | C5 | C10 | 69.4° | 174.5° |
| C3 | C2 | C5 | N4 | 173.2° | 65.5° |
| C3 | C2 | C5 | H5 | 49.3° | 54.5° |
| C5 | C2 | H21 | H22 | 118.7° | 120.0° |
| C2 | C5 | C10 | N4 | 116.8° | 120.0° |
| C2 | C5 | C10 | H5 | 119.3° | 120.0° |
| C2 | C5 | N4 | H5 | 119.2° | 120.0° |
| C2 | C5 | C10 | N6 | 159.9° | 175.4° |
| C2 | C5 | C10 | H101 | 43.1° | 64.6° |
| C2 | C5 | C10 | H102 | 80.1° | 55.3° |
| C2 | C5 | N4 | C1 | 105.6° | 60.0° |
| C2 | C5 | N4 | HN4 | 74.5° | 119.9° |
| H21 | C2 | C5 | C10 | 48.4° | 54.5° |
| H21 | C2 | C5 | N4 | 69.0° | 174.5° |
| H21 | C2 | C5 | H5 | 167.1° | 65.5° |
| H22 | C2 | C5 | C10 | 170.6° | 65.5° |
| H22 | C2 | C5 | N4 | 53.2° | 54.5° |
| H22 | C2 | C5 | H5 | 70.7° | 174.5° |
| C10 | C5 | N4 | H5 | 118.6° | 120.0° |
| C5 | C10 | N6 | H101 | 116.8° | 120.0° |
| C5 | C10 | N6 | H102 | 120.0° | 120.0° |
| C5 | C10 | H101 | H102 | 118.0° | 120.0° |
| C5 | C10 | N6 | C14 | 65.8° | 64.0° |
| C5 | C10 | N6 | C13 | 58.9° | 176.1° |
| C5 | C10 | N6 | C12 | 178.6° | 56.1° |
| C10 | C5 | N4 | C1 | 132.2° | 60.0° |
| C10 | C5 | N4 | HN4 | 47.8° | 120.1° |
| N4 | C5 | C10 | N6 | 83.3° | 64.6° |
| N4 | C5 | C10 | H101 | 159.9° | 55.4° |
| N4 | C5 | C10 | H102 | 36.7° | 175.4° |
| C5 | N4 | C1 | HN4 | 180.0° | 179.9° |
| C5 | N4 | C1 | O7 | 0.0° | 2.7° |
| C5 | N4 | C1 | N11 | 179.4° | 177.2° |
| H5 | C5 | C10 | N6 | 40.6° | 55.4° |
| H5 | C5 | C10 | H101 | 76.2° | 175.4° |
| H5 | C5 | C10 | H102 | 160.6° | 64.6° |
| H5 | C5 | N4 | C1 | 13.6° | 180.0° |
| H5 | C5 | N4 | HN4 | 166.4° | 0.1° |
| N6 | C10 | H101 | H102 | 118.0° | 120.1° |
| C10 | N6 | C14 | C13 | 127.2° | 120.0° |
| C10 | N6 | C14 | C12 | 117.5° | 120.0° |
| C10 | N6 | C13 | C12 | 119.2° | 120.0° |
| C10 | N6 | C14 | H141 | 50.8° | 48.7° |
| C10 | N6 | C14 | H142 | 170.8° | 168.7° |
| C10 | N6 | C14 | H143 | 69.2° | 71.4° |
| C10 | N6 | C13 | H131 | 127.2° | 60.0° |
| C10 | N6 | C13 | H132 | 7.2° | 180.0° |
| C10 | N6 | C13 | H133 | 112.8° | 60.0° |
| C10 | N6 | C12 | H121 | 172.4° | 60.0° |
| C10 | N6 | C12 | H122 | 52.3° | 180.0° |
| C10 | N6 | C12 | H123 | 67.7° | 60.0° |
| H101 | C10 | N6 | C14 | 177.4° | 56.0° |
| H101 | C10 | N6 | C13 | 57.9° | 63.9° |
| H101 | C10 | N6 | C12 | 61.8° | 176.1° |
| H102 | C10 | N6 | C14 | 54.2° | 176.0° |
| H102 | C10 | N6 | C13 | 178.9° | 56.1° |
| H102 | C10 | N6 | C12 | 61.4° | 63.9° |
| C14 | N6 | C13 | C12 | 112.7° | 120.0° |
| N6 | C14 | H141 | H142 | 120.0° | 120.0° |
| N6 | C14 | H141 | H143 | 120.0° | 120.0° |
| N6 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | N6 | C13 | H131 | 0.9° | 180.0° |
| C14 | N6 | C13 | H132 | 120.9° | 60.0° |
| C14 | N6 | C13 | H133 | 119.1° | 60.0° |
| C14 | N6 | C12 | H121 | 65.4° | 60.0° |
| C14 | N6 | C12 | H122 | 174.5° | 60.0° |
| C14 | N6 | C12 | H123 | 54.6° | 180.0° |
| C13 | N6 | C14 | H141 | 76.4° | 71.3° |
| C13 | N6 | C14 | H142 | 43.6° | 48.7° |
| C13 | N6 | C14 | H143 | 163.6° | 168.7° |
| N6 | C13 | H131 | H132 | 120.0° | 120.0° |
| N6 | C13 | H131 | H133 | 120.0° | 119.9° |
| N6 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | N6 | C12 | H121 | 49.8° | 180.0° |
| C13 | N6 | C12 | H122 | 70.2° | 60.0° |
| C13 | N6 | C12 | H123 | 169.8° | 60.0° |
| C12 | N6 | C14 | H141 | 168.2° | 168.7° |
| C12 | N6 | C14 | H142 | 71.7° | 71.3° |
| C12 | N6 | C14 | H143 | 48.2° | 48.7° |
| C12 | N6 | C13 | H131 | 113.6° | 60.0° |
| C12 | N6 | C13 | H132 | 126.4° | 60.0° |
| C12 | N6 | C13 | H133 | 6.4° | 180.0° |
| N6 | C12 | H121 | H122 | 120.0° | 120.0° |
| N6 | C12 | H121 | H123 | 120.0° | 120.0° |
| N6 | C12 | H122 | H123 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| N4 | C1 | O7 | N11 | 179.3° | 179.9° |
| N4 | C1 | N11 | C15 | 179.9° | 180.0° |
| N4 | C1 | N11 | H11 | 0.1° | 0.1° |
| HN4 | N4 | C1 | O7 | 180.0° | 177.2° |
| HN4 | N4 | C1 | N11 | 0.6° | 2.9° |
| O7 | C1 | N11 | C15 | 0.7° | 0.1° |
| O7 | C1 | N11 | H11 | 179.3° | 180.0° |
| C1 | N11 | C15 | H11 | 180.0° | 179.9° |
| C1 | N11 | C15 | C16 | 148.5° | 180.0° |
| C1 | N11 | C15 | H151 | 90.0° | 60.1° |
| C1 | N11 | C15 | H152 | 28.5° | 60.0° |
| N11 | C15 | C16 | H151 | 121.5° | 120.0° |
| N11 | C15 | C16 | H152 | 120.0° | 120.0° |
| N11 | C15 | H151 | H152 | 121.1° | 120.0° |
| N11 | C15 | C16 | C24 | 109.5° | 180.0° |
| N11 | C15 | C16 | H161 | 6.6° | 60.0° |
| N11 | C15 | C16 | H162 | 130.5° | 60.0° |
| H11 | N11 | C15 | C16 | 31.5° | 0.0° |
| H11 | N11 | C15 | H151 | 90.0° | 120.0° |
| H11 | N11 | C15 | H152 | 151.5° | 120.0° |
| C16 | C15 | H151 | H152 | 121.0° | 120.0° |
| C15 | C16 | C24 | H161 | 116.1° | 120.0° |
| C15 | C16 | C24 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 117.6° | 120.0° |
| C15 | C16 | C24 | C26 | 47.8° | 180.0° |
| C15 | C16 | C24 | H241 | 70.6° | 60.0° |
| C15 | C16 | C24 | H242 | 167.8° | 60.0° |
| H151 | C15 | C16 | C24 | 129.0° | 60.0° |
| H151 | C15 | C16 | H161 | 114.9° | 180.0° |
| H151 | C15 | C16 | H162 | 9.0° | 60.0° |
| H152 | C15 | C16 | C24 | 10.5° | 60.0° |
| H152 | C15 | C16 | H161 | 126.6° | 60.0° |
| H152 | C15 | C16 | H162 | 109.5° | 180.0° |
| C24 | C16 | H161 | H162 | 117.7° | 120.0° |
| C16 | C24 | C26 | H241 | 118.4° | 120.0° |
| C16 | C24 | C26 | H242 | 120.0° | 120.1° |
| C16 | C24 | H241 | H242 | 119.0° | 120.0° |
| C16 | C24 | C26 | C27 | 172.5° | 180.0° |
| C16 | C24 | C26 | H261 | 53.4° | 60.0° |
| C16 | C24 | C26 | H262 | 67.5° | 60.0° |
| H161 | C16 | C24 | C26 | 163.9° | 60.0° |
| H161 | C16 | C24 | H241 | 45.5° | 180.0° |
| H161 | C16 | C24 | H242 | 76.2° | 60.0° |
| H162 | C16 | C24 | C26 | 72.2° | 60.0° |
| H162 | C16 | C24 | H241 | 169.4° | 60.0° |
| H162 | C16 | C24 | H242 | 47.8° | 180.0° |
| C26 | C24 | H241 | H242 | 119.0° | 120.0° |
| C24 | C26 | C27 | H261 | 119.2° | 120.0° |
| C24 | C26 | C27 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H262 | 119.5° | 120.0° |
| C24 | C26 | C27 | C19 | 179.7° | 180.0° |
| C24 | C26 | C27 | H271 | 62.1° | 60.0° |
| C24 | C26 | C27 | H272 | 59.8° | 60.0° |
| H241 | C24 | C26 | C27 | 69.1° | 60.0° |
| H241 | C24 | C26 | H261 | 171.8° | 180.0° |
| H241 | C24 | C26 | H262 | 50.9° | 60.0° |
| H242 | C24 | C26 | C27 | 52.5° | 60.0° |
| H242 | C24 | C26 | H261 | 66.6° | 60.1° |
| H242 | C24 | C26 | H262 | 172.5° | 179.9° |
| C27 | C26 | H261 | H262 | 119.5° | 120.0° |
| C26 | C27 | C19 | H271 | 118.2° | 120.0° |
| C26 | C27 | C19 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 118.8° | 120.0° |
| C26 | C27 | C19 | C20 | 112.9° | 180.0° |
| C26 | C27 | C19 | H191 | 6.8° | 60.0° |
| C26 | C27 | C19 | H192 | 127.1° | 60.0° |
| H261 | C26 | C27 | C19 | 60.6° | 60.0° |
| H261 | C26 | C27 | H271 | 178.7° | 180.0° |
| H261 | C26 | C27 | H272 | 59.4° | 60.0° |
| H262 | C26 | C27 | C19 | 60.3° | 60.0° |
| H262 | C26 | C27 | H271 | 57.9° | 60.0° |
| H262 | C26 | C27 | H272 | 179.8° | 180.0° |
| C19 | C27 | H271 | H272 | 118.8° | 120.0° |
| C27 | C19 | C20 | H191 | 119.6° | 120.0° |
| C27 | C19 | C20 | H192 | 120.0° | 120.0° |
| C27 | C19 | H191 | H192 | 119.7° | 120.0° |
| C27 | C19 | C20 | C21 | 150.5° | 180.0° |
| C27 | C19 | C20 | H201 | 31.9° | 60.0° |
| C27 | C19 | C20 | H202 | 89.4° | 60.0° |
| H271 | C27 | C19 | C20 | 129.0° | 60.0° |
| H271 | C27 | C19 | H191 | 111.4° | 180.0° |
| H271 | C27 | C19 | H192 | 8.9° | 60.0° |
| H272 | C27 | C19 | C20 | 7.1° | 60.0° |
| H272 | C27 | C19 | H191 | 126.7° | 60.0° |
| H272 | C27 | C19 | H192 | 112.9° | 180.0° |
| C20 | C19 | H191 | H192 | 119.7° | 120.0° |
| C19 | C20 | C21 | H201 | 118.7° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 119.2° | 120.0° |
| C19 | C20 | C21 | C22 | 79.2° | 180.0° |
| C19 | C20 | C21 | H211 | 161.8° | 60.0° |
| C19 | C20 | C21 | H212 | 40.8° | 60.0° |
| H191 | C19 | C20 | C21 | 89.9° | 60.0° |
| H191 | C19 | C20 | H201 | 151.5° | 180.0° |
| H191 | C19 | C20 | H202 | 30.2° | 60.0° |
| H192 | C19 | C20 | C21 | 30.5° | 60.0° |
| H192 | C19 | C20 | H201 | 88.2° | 60.0° |
| H192 | C19 | C20 | H202 | 150.5° | 180.0° |
| C21 | C20 | H201 | H202 | 119.2° | 120.0° |
| C20 | C21 | C22 | H211 | 119.0° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 119.3° | 120.1° |
| C20 | C21 | C22 | C23 | 130.0° | 180.0° |
| C20 | C21 | C22 | H221 | 110.2° | 60.0° |
| C20 | C21 | C22 | H222 | 10.0° | 60.0° |
| H201 | C20 | C21 | C22 | 39.4° | 60.0° |
| H201 | C20 | C21 | H211 | 79.5° | 180.0° |
| H201 | C20 | C21 | H212 | 159.4° | 60.0° |
| H202 | C20 | C21 | C22 | 160.7° | 60.0° |
| H202 | C20 | C21 | H211 | 41.8° | 60.0° |
| H202 | C20 | C21 | H212 | 79.3° | 180.0° |
| C22 | C21 | H211 | H212 | 119.3° | 119.9° |
| C21 | C22 | C23 | H221 | 119.8° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 119.9° |
| C21 | C22 | H221 | H222 | 119.9° | 119.9° |
| C21 | C22 | C23 | C25 | 175.0° | 180.0° |
| C21 | C22 | C23 | H231 | 66.9° | 60.0° |
| C21 | C22 | C23 | H232 | 55.0° | 60.0° |
| H211 | C21 | C22 | C23 | 11.0° | 60.0° |
| H211 | C21 | C22 | H221 | 130.9° | NaN° |
| H211 | C21 | C22 | H222 | 109.0° | 60.0° |
| H212 | C21 | C22 | C23 | 110.0° | 60.0° |
| H212 | C21 | C22 | H221 | 9.8° | 60.1° |
| H212 | C21 | C22 | H222 | 130.0° | 180.0° |
| C23 | C22 | H221 | H222 | 119.9° | 120.1° |
| C22 | C23 | C25 | H231 | 118.1° | 120.0° |
| C22 | C23 | C25 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 118.8° | 120.1° |
| C22 | C23 | C25 | C18 | 169.4° | 180.0° |
| C22 | C23 | C25 | H251 | 49.0° | 60.0° |
| C22 | C23 | C25 | H252 | 70.6° | 60.0° |
| H221 | C22 | C23 | C25 | 55.1° | 60.0° |
| H221 | C22 | C23 | H231 | 173.2° | 180.0° |
| H221 | C22 | C23 | H232 | 64.9° | 59.9° |
| H222 | C22 | C23 | C25 | 65.1° | 60.0° |
| H222 | C22 | C23 | H231 | 53.0° | 59.9° |
| H222 | C22 | C23 | H232 | 175.0° | 180.0° |
| C25 | C23 | H231 | H232 | 118.8° | 119.9° |
| C23 | C25 | C18 | H251 | 120.3° | 119.9° |
| C23 | C25 | C18 | H252 | 120.0° | 120.0° |
| C23 | C25 | H251 | H252 | 120.2° | 120.0° |
| C23 | C25 | C18 | C17 | 175.3° | 180.0° |
| C23 | C25 | C18 | H181 | 66.4° | 60.0° |
| C23 | C25 | C18 | H182 | 55.3° | 60.0° |
| H231 | C23 | C25 | C18 | 72.5° | 60.0° |
| H231 | C23 | C25 | H251 | 167.1° | 180.0° |
| H231 | C23 | C25 | H252 | 47.5° | 60.0° |
| H232 | C23 | C25 | C18 | 49.4° | 60.0° |
| H232 | C23 | C25 | H251 | 71.0° | 60.0° |
| H232 | C23 | C25 | H252 | 169.4° | 180.0° |
| C18 | C25 | H251 | H252 | 120.2° | 120.0° |
| C25 | C18 | C17 | H181 | 118.3° | 120.1° |
| C25 | C18 | C17 | H182 | 120.0° | 120.0° |
| C25 | C18 | H181 | H182 | 118.9° | 120.0° |
| C25 | C18 | C17 | C28 | 118.1° | 180.0° |
| C25 | C18 | C17 | H171 | 123.1° | 59.9° |
| C25 | C18 | C17 | H172 | 1.9° | 60.0° |
| H251 | C25 | C18 | C17 | 55.0° | 60.0° |
| H251 | C25 | C18 | H181 | 173.3° | 179.9° |
| H251 | C25 | C18 | H182 | 65.0° | 60.0° |
| H252 | C25 | C18 | C17 | 64.7° | 60.0° |
| H252 | C25 | C18 | H181 | 53.6° | 60.1° |
| H252 | C25 | C18 | H182 | 175.3° | 180.0° |
| C17 | C18 | H181 | H182 | 118.9° | 120.0° |
| C18 | C17 | C28 | H171 | 118.8° | 120.1° |
| C18 | C17 | C28 | H172 | 120.0° | 120.0° |
| C18 | C17 | H171 | H172 | 119.3° | 120.0° |
| C18 | C17 | C28 | H281 | 58.3° | 60.0° |
| C18 | C17 | C28 | H282 | 178.3° | 180.0° |
| C18 | C17 | C28 | H283 | 61.7° | 60.0° |
| H181 | C18 | C17 | C28 | 0.2° | 59.9° |
| H181 | C18 | C17 | H171 | 118.6° | NaN° |
| H181 | C18 | C17 | H172 | 120.2° | 60.1° |
| H182 | C18 | C17 | C28 | 121.9° | 60.0° |
| H182 | C18 | C17 | H171 | 3.1° | 60.1° |
| H182 | C18 | C17 | H172 | 118.1° | 180.0° |
| C28 | C17 | H171 | H172 | 119.3° | 120.0° |
| C17 | C28 | H281 | H282 | 120.0° | 120.0° |
| C17 | C28 | H281 | H283 | 120.0° | 120.0° |
| C17 | C28 | H282 | H283 | 120.0° | 120.0° |
| H171 | C17 | C28 | H281 | 60.5° | 179.9° |
| H171 | C17 | C28 | H282 | 59.5° | 59.9° |
| H171 | C17 | C28 | H283 | 179.5° | 60.1° |
| H172 | C17 | C28 | H281 | 178.3° | 60.0° |
| H172 | C17 | C28 | H282 | 61.7° | 60.0° |
| H172 | C17 | C28 | H283 | 58.3° | 180.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
