MUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C15 | doub | 1.21Å | 1.26Å | |
| O03 | C15 | sing | 1.34Å | 1.25Å | |
| C15 | C06 | sing | 1.51Å | 1.50Å | |
| C17 | C09 | sing | 1.51Å | 1.53Å | |
| C06 | C11 | sing | 1.53Å | 1.53Å | |
| C06 | O02 | sing | 1.43Å | 1.41Å | |
| C06 | C10 | sing | 1.53Å | 1.53Å | |
| O02 | C07 | sing | 1.36Å | 1.37Å | |
| C09 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C12 | doub | 1.40Å | 1.37Å | Aromatic |
| C08 | C16 | sing | 1.51Å | 1.54Å | |
| C08 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C18 | sing | 1.47Å | 1.51Å | |
| C18 | C19 | doub | 1.35Å | 1.32Å | |
| C19 | C20 | sing | 1.46Å | 1.50Å | |
| O05 | C20 | doub | 1.22Å | 1.19Å | |
| C20 | C21 | sing | 1.48Å | 1.54Å | |
| C21 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.37Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C26 | doub | 1.37Å | 1.40Å | Aromatic |
| C24 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | S01 | sing | 1.76Å | 1.82Å | |
| C27 | S01 | sing | 1.81Å | 1.82Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C15 | O03 | 124.2° | 120.0° |
| O04 | C15 | C06 | 118.7° | 120.0° |
| O03 | C15 | C06 | 117.1° | 120.0° |
| C15 | O03 | H1 | 109.5° | 117.0° |
| C15 | C06 | C11 | 106.4° | 109.5° |
| C15 | C06 | O02 | 102.0° | 109.5° |
| C15 | C06 | C10 | 108.5° | 109.5° |
| C17 | C09 | C07 | 122.1° | 119.9° |
| C17 | C09 | C14 | 119.2° | 120.0° |
| C09 | C17 | H172 | 109.5° | 109.5° |
| C09 | C17 | H173 | 109.5° | 109.5° |
| C09 | C17 | H171 | 109.5° | 109.5° |
| C11 | C06 | O02 | 113.4° | 109.5° |
| C11 | C06 | C10 | 106.8° | 109.5° |
| C06 | C11 | H113 | 109.5° | 109.5° |
| C06 | C11 | H111 | 109.4° | 109.5° |
| C06 | C11 | H112 | 109.4° | 109.5° |
| O02 | C06 | C10 | 119.0° | 109.5° |
| C06 | O02 | C07 | 115.4° | 117.0° |
| C06 | C10 | H103 | 109.5° | 109.5° |
| C06 | C10 | H102 | 109.5° | 109.5° |
| C06 | C10 | H101 | 109.5° | 109.5° |
| O02 | C07 | C09 | 119.9° | 119.9° |
| O02 | C07 | C08 | 117.6° | 119.9° |
| C07 | C09 | C14 | 118.7° | 120.1° |
| C09 | C07 | C08 | 122.5° | 120.2° |
| C09 | C14 | C12 | 119.4° | 119.9° |
| C09 | C14 | H141 | 120.3° | 120.0° |
| C07 | C08 | C16 | 119.6° | 119.9° |
| C07 | C08 | C13 | 118.4° | 120.1° |
| C14 | C12 | C13 | 121.4° | 119.8° |
| C14 | C12 | C18 | 120.9° | 120.1° |
| C12 | C14 | H141 | 120.3° | 120.1° |
| C16 | C08 | C13 | 122.0° | 119.9° |
| C08 | C16 | H161 | 109.5° | 109.5° |
| C08 | C16 | H162 | 109.5° | 109.5° |
| C08 | C16 | H163 | 109.5° | 109.5° |
| C08 | C13 | C12 | 119.6° | 119.8° |
| C08 | C13 | H131 | 120.2° | 120.1° |
| C13 | C12 | C18 | 117.4° | 120.1° |
| C12 | C13 | H131 | 120.2° | 120.1° |
| C12 | C18 | C19 | 108.2° | 120.0° |
| C12 | C18 | H181 | 125.9° | 120.0° |
| C18 | C19 | C20 | 124.6° | 120.0° |
| C19 | C18 | H181 | 125.9° | 119.9° |
| C18 | C19 | H191 | 117.7° | 120.0° |
| C19 | C20 | O05 | 115.7° | 120.0° |
| C19 | C20 | C21 | 122.7° | 120.0° |
| C20 | C19 | H191 | 117.7° | 120.0° |
| O05 | C20 | C21 | 121.5° | 120.0° |
| C20 | C21 | C22 | 116.0° | 120.0° |
| C20 | C21 | C23 | 125.4° | 120.1° |
| C22 | C21 | C23 | 118.6° | 119.9° |
| C21 | C22 | C25 | 120.6° | 119.9° |
| C21 | C22 | H221 | 119.7° | 120.0° |
| C21 | C23 | C26 | 120.7° | 119.9° |
| C21 | C23 | H231 | 119.7° | 120.1° |
| C22 | C25 | C24 | 121.4° | 120.1° |
| C25 | C22 | H221 | 119.7° | 120.1° |
| C22 | C25 | H251 | 119.3° | 119.9° |
| C25 | C24 | C26 | 118.9° | 120.2° |
| C25 | C24 | S01 | 118.2° | 119.9° |
| C24 | C25 | H251 | 119.3° | 120.0° |
| C23 | C26 | C24 | 119.9° | 120.1° |
| C26 | C23 | H231 | 119.7° | 120.0° |
| C23 | C26 | H261 | 120.1° | 120.0° |
| C26 | C24 | S01 | 122.9° | 119.9° |
| C24 | C26 | H261 | 120.1° | 120.0° |
| C24 | S01 | C27 | 109.9° | 103.0° |
| S01 | C27 | H272 | 109.5° | 109.5° |
| S01 | C27 | H271 | 109.5° | 109.5° |
| S01 | C27 | H273 | 109.4° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.4° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H113 | C11 | H111 | 109.5° | 109.4° |
| H113 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.5° | 109.4° |
| H272 | C27 | H271 | 109.4° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C15 | O03 | C06 | 179.7° | 180.0° |
| O04 | C15 | C06 | C11 | 65.2° | 120.0° |
| O04 | C15 | C06 | O02 | 53.8° | 0.0° |
| O04 | C15 | C06 | C10 | 179.8° | 120.0° |
| O04 | C15 | O03 | H1 | 0.0° | 0.0° |
| O03 | C15 | C06 | C11 | 114.5° | 60.0° |
| O03 | C15 | C06 | O02 | 126.5° | 180.0° |
| O03 | C15 | C06 | C10 | 0.1° | 60.0° |
| C15 | C06 | C11 | O02 | 111.3° | 120.0° |
| C15 | C06 | C11 | C10 | 115.7° | 120.0° |
| C15 | C06 | O02 | C10 | 119.2° | 120.0° |
| C15 | C06 | O02 | C07 | 113.0° | 177.6° |
| C15 | C06 | C10 | H103 | 180.0° | 180.0° |
| C15 | C06 | C10 | H102 | 60.0° | 60.0° |
| C15 | C06 | C10 | H101 | 60.0° | 60.0° |
| C15 | C06 | C11 | H113 | 180.0° | 169.3° |
| C15 | C06 | C11 | H111 | 60.0° | 70.8° |
| C15 | C06 | C11 | H112 | 60.0° | 49.3° |
| C06 | C15 | O03 | H1 | 179.7° | 180.0° |
| C17 | C09 | C07 | O02 | 1.8° | 0.2° |
| C17 | C09 | C07 | C14 | 178.3° | 179.9° |
| C17 | C09 | C07 | C08 | 178.6° | 180.0° |
| C17 | C09 | C14 | C12 | 178.0° | 179.9° |
| C17 | C09 | C14 | H141 | 2.0° | 0.1° |
| C09 | C17 | H172 | H173 | 120.0° | 120.0° |
| C09 | C17 | H172 | H171 | 120.0° | 120.0° |
| C09 | C17 | H173 | H171 | 120.0° | 120.0° |
| C11 | C06 | O02 | C10 | 126.8° | 120.0° |
| C11 | C06 | O02 | C07 | 133.0° | 57.6° |
| C11 | C06 | C10 | H103 | 65.6° | 60.0° |
| C11 | C06 | C10 | H102 | 174.3° | 180.0° |
| C11 | C06 | C10 | H101 | 54.4° | 60.0° |
| C06 | C11 | H113 | H111 | 120.0° | 120.0° |
| C06 | C11 | H113 | H112 | 120.0° | 120.0° |
| C06 | C11 | H111 | H112 | 119.9° | 120.1° |
| C06 | O02 | C07 | C09 | 86.9° | 86.5° |
| C06 | O02 | C07 | C08 | 92.7° | 93.8° |
| O02 | C06 | C10 | H103 | 64.2° | 60.0° |
| O02 | C06 | C10 | H102 | 55.8° | 60.0° |
| O02 | C06 | C10 | H101 | 175.8° | 180.0° |
| O02 | C06 | C11 | H113 | 68.8° | 49.3° |
| O02 | C06 | C11 | H111 | 171.2° | 169.2° |
| O02 | C06 | C11 | H112 | 51.3° | 70.7° |
| C10 | C06 | O02 | C07 | 6.2° | 62.4° |
| C06 | C10 | H103 | H102 | 120.0° | 120.1° |
| C06 | C10 | H103 | H101 | 120.0° | 120.0° |
| C06 | C10 | H102 | H101 | 120.0° | 120.0° |
| C10 | C06 | C11 | H113 | 64.3° | 70.7° |
| C10 | C06 | C11 | H111 | 55.7° | 49.3° |
| C10 | C06 | C11 | H112 | 175.7° | 169.3° |
| O02 | C07 | C09 | C08 | 179.7° | 179.8° |
| O02 | C07 | C09 | C14 | 180.0° | 179.7° |
| O02 | C07 | C08 | C16 | 0.4° | 0.3° |
| O02 | C07 | C08 | C13 | 179.2° | 179.7° |
| C07 | C09 | C14 | C12 | 0.3° | 0.0° |
| C09 | C07 | C08 | C16 | 179.3° | 179.9° |
| C09 | C07 | C08 | C13 | 0.5° | 0.0° |
| C07 | C09 | C14 | H141 | 179.7° | 180.0° |
| C07 | C09 | C17 | H172 | 90.9° | 90.0° |
| C07 | C09 | C17 | H173 | 149.1° | 149.9° |
| C07 | C09 | C17 | H171 | 29.0° | 30.0° |
| C14 | C09 | C07 | C08 | 0.3° | 0.1° |
| C09 | C14 | C12 | H141 | 180.0° | 180.0° |
| C09 | C14 | C12 | C13 | 1.7° | 0.0° |
| C09 | C14 | C12 | C18 | 175.9° | 179.9° |
| C14 | C09 | C17 | H172 | 90.8° | 90.0° |
| C14 | C09 | C17 | H173 | 29.2° | 30.0° |
| C14 | C09 | C17 | H171 | 149.2° | 149.9° |
| C07 | C08 | C16 | C13 | 178.8° | 179.9° |
| C07 | C08 | C13 | C12 | 1.8° | 0.1° |
| C07 | C08 | C13 | H131 | 178.2° | 180.0° |
| C07 | C08 | C16 | H161 | 90.6° | 87.9° |
| C07 | C08 | C16 | H162 | 149.4° | 152.0° |
| C07 | C08 | C16 | H163 | 29.4° | 32.0° |
| C14 | C12 | C13 | C08 | 2.5° | 0.1° |
| C14 | C12 | C13 | C18 | 174.4° | 179.9° |
| C14 | C12 | C18 | C19 | 112.0° | 0.1° |
| C14 | C12 | C13 | H131 | 177.5° | 179.9° |
| C14 | C12 | C18 | H181 | 67.9° | 180.0° |
| C16 | C08 | C13 | C12 | 179.4° | 180.0° |
| C16 | C08 | C13 | H131 | 0.6° | 0.0° |
| C08 | C16 | H161 | H162 | 120.0° | 120.0° |
| C08 | C16 | H161 | H163 | 120.0° | 119.9° |
| C08 | C16 | H162 | H163 | 120.0° | 120.0° |
| C08 | C13 | C12 | H131 | 180.0° | 180.0° |
| C08 | C13 | C12 | C18 | 176.9° | 180.0° |
| C13 | C08 | C16 | H161 | 90.6° | 92.2° |
| C13 | C08 | C16 | H162 | 29.4° | 27.9° |
| C13 | C08 | C16 | H163 | 149.4° | 147.9° |
| C13 | C12 | C18 | C19 | 62.4° | 180.0° |
| C13 | C12 | C14 | H141 | 178.3° | 179.9° |
| C13 | C12 | C18 | H181 | 117.6° | 0.1° |
| C12 | C18 | C19 | H181 | 180.0° | 179.9° |
| C12 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C12 | C13 | H131 | 3.1° | 0.1° |
| C18 | C12 | C14 | H141 | 4.1° | 0.1° |
| C12 | C18 | C19 | H191 | 0.3° | 0.1° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | O05 | 43.1° | 0.1° |
| C18 | C19 | C20 | C21 | 139.3° | 180.0° |
| C19 | C20 | O05 | C21 | 177.6° | 179.9° |
| C19 | C20 | C21 | C22 | 115.8° | 180.0° |
| C19 | C20 | C21 | C23 | 64.9° | 0.3° |
| C20 | C19 | C18 | H181 | 0.3° | 0.1° |
| O05 | C20 | C21 | C22 | 61.7° | 0.0° |
| O05 | C20 | C21 | C23 | 117.7° | 179.7° |
| O05 | C20 | C19 | H191 | 136.9° | 180.0° |
| C20 | C21 | C22 | C23 | 179.4° | 179.7° |
| C20 | C21 | C22 | C25 | 178.7° | 180.0° |
| C20 | C21 | C23 | C26 | 178.7° | 180.0° |
| C21 | C20 | C19 | H191 | 40.7° | 0.1° |
| C20 | C21 | C22 | H221 | 1.3° | 0.0° |
| C20 | C21 | C23 | H231 | 1.2° | 0.1° |
| C21 | C22 | C25 | H221 | 180.0° | 180.0° |
| C21 | C22 | C25 | C24 | 0.6° | 0.0° |
| C22 | C21 | C23 | C26 | 0.6° | 0.3° |
| C22 | C21 | C23 | H231 | 179.4° | 179.8° |
| C21 | C22 | C25 | H251 | 179.3° | 180.0° |
| C23 | C21 | C22 | C25 | 0.7° | 0.3° |
| C21 | C23 | C26 | H231 | 180.0° | 179.9° |
| C21 | C23 | C26 | C24 | 0.5° | 0.1° |
| C23 | C21 | C22 | H221 | 179.3° | 179.7° |
| C21 | C23 | C26 | H261 | 179.5° | 180.0° |
| C22 | C25 | C24 | H251 | 180.0° | 180.0° |
| C22 | C25 | C24 | C26 | 0.5° | 0.3° |
| C22 | C25 | C24 | S01 | 179.6° | 179.9° |
| C25 | C24 | C26 | C23 | 0.4° | 0.3° |
| C25 | C24 | C26 | S01 | 179.1° | 179.8° |
| C25 | C24 | S01 | C27 | 7.8° | 0.3° |
| C24 | C25 | C22 | H221 | 179.4° | 180.0° |
| C25 | C24 | C26 | H261 | 179.6° | 179.7° |
| C23 | C26 | C24 | H261 | 180.0° | 179.9° |
| C23 | C26 | C24 | S01 | 179.5° | 180.0° |
| C26 | C24 | S01 | C27 | 171.3° | 180.0° |
| C24 | C26 | C23 | H231 | 179.6° | 180.0° |
| C26 | C24 | C25 | H251 | 179.5° | 179.7° |
| S01 | C24 | C25 | H251 | 0.3° | 0.0° |
| S01 | C24 | C26 | H261 | 0.5° | 0.1° |
| C24 | S01 | C27 | H272 | 180.0° | 60.0° |
| C24 | S01 | C27 | H271 | 60.0° | 60.0° |
| C24 | S01 | C27 | H273 | 60.0° | 180.0° |
| S01 | C27 | H272 | H271 | 120.0° | 120.0° |
| S01 | C27 | H272 | H273 | 120.0° | 120.0° |
| S01 | C27 | H271 | H273 | 120.0° | 120.0° |
| H103 | C10 | H102 | H101 | 120.0° | 119.9° |
| H113 | C11 | H111 | H112 | 120.0° | 119.9° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H181 | C18 | C19 | H191 | 179.7° | 180.0° |
| H221 | C22 | C25 | H251 | 0.7° | 0.0° |
| H231 | C23 | C26 | H261 | 0.5° | 0.1° |
| H272 | C27 | H271 | H273 | 120.0° | 119.9° |
