MUW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | S7 | doub | 1.42Å | 1.43Å | |
| S7 | C1 | sing | 1.76Å | 1.62Å | |
| S7 | O8 | doub | 1.42Å | 1.43Å | |
| S7 | N10 | sing | 1.66Å | 1.62Å | |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C15 | sing | 1.51Å | 1.54Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | N45 | sing | 1.47Å | 1.45Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N45 | H451 | sing | 1.01Å | 1.00Å | |
| N45 | H452 | sing | 1.01Å | 1.00Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| N10 | C16 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H12 | 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 | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C22 | sing | 1.53Å | 1.53Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | O23 | sing | 1.43Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O23 | HO23 | sing | 0.97Å | 0.95Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | 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 | N21 | sing | 1.46Å | 1.46Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N21 | C39 | sing | 1.35Å | 1.33Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C39 | C37 | sing | 1.51Å | 1.52Å | |
| C39 | O40 | doub | 1.21Å | 1.22Å | |
| C37 | C30 | sing | 1.53Å | 1.53Å | |
| C37 | N38 | sing | 1.46Å | 1.45Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| N38 | C41 | sing | 1.35Å | 1.32Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| C41 | O43 | doub | 1.21Å | 1.22Å | |
| C41 | O42 | sing | 1.35Å | 1.45Å | |
| O42 | C44 | sing | 1.45Å | 1.43Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C24 | sing | 1.51Å | 1.53Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | S7 | C1 | 109.4° | 106.4° |
| O9 | S7 | O8 | 109.7° | 123.2° |
| O9 | S7 | N10 | 105.3° | 106.4° |
| C1 | S7 | O8 | 109.8° | 106.4° |
| C1 | S7 | N10 | 111.7° | 107.2° |
| S7 | C1 | C2 | 123.1° | 120.0° |
| S7 | C1 | C6 | 119.7° | 120.0° |
| O8 | S7 | N10 | 110.9° | 106.4° |
| S7 | N10 | C11 | 107.9° | 120.0° |
| S7 | N10 | C16 | 112.3° | 120.0° |
| C2 | C1 | C6 | 117.1° | 120.0° |
| C1 | C2 | C3 | 121.3° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C1 | C6 | C5 | 121.8° | 120.1° |
| C1 | C6 | H6 | 119.1° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C3 | C4 | C15 | 124.3° | 120.0° |
| C3 | C4 | C5 | 118.0° | 120.0° |
| C15 | C4 | C5 | 117.7° | 120.0° |
| C4 | C15 | N45 | 113.7° | 109.5° |
| C4 | C15 | H151 | 108.1° | 109.5° |
| C4 | C15 | H152 | 107.2° | 109.4° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| N45 | C15 | H151 | 108.1° | 109.5° |
| N45 | C15 | H152 | 107.1° | 109.4° |
| C15 | N45 | H451 | 109.5° | 111.0° |
| C15 | N45 | H452 | 109.5° | 111.0° |
| H151 | C15 | H152 | 112.8° | 109.5° |
| H451 | N45 | H452 | 109.4° | 111.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C11 | N10 | C16 | 117.3° | 120.0° |
| N10 | C11 | C12 | 112.1° | 109.5° |
| N10 | C11 | H111 | 108.6° | 109.5° |
| N10 | C11 | H112 | 108.0° | 109.4° |
| N10 | C16 | C17 | 113.2° | 109.4° |
| N10 | C16 | C22 | 114.9° | 109.5° |
| N10 | C16 | H16 | 102.5° | 109.5° |
| C12 | C11 | H111 | 108.6° | 109.4° |
| C12 | C11 | H112 | 108.0° | 109.5° |
| C11 | C12 | C14 | 110.6° | 109.5° |
| C11 | C12 | C13 | 108.6° | 109.5° |
| C11 | C12 | H12 | 109.1° | 109.5° |
| H111 | C11 | H112 | 111.6° | 109.5° |
| C14 | C12 | C13 | 108.5° | 109.5° |
| C14 | C12 | H12 | 109.1° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.4° | 109.5° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C13 | C12 | H12 | 111.0° | 109.4° |
| C12 | C13 | H131 | 109.5° | 109.4° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| C17 | C16 | C22 | 108.7° | 109.5° |
| C17 | C16 | H16 | 109.6° | 109.5° |
| C16 | C17 | C18 | 116.4° | 109.5° |
| C16 | C17 | H171 | 107.3° | 109.5° |
| C16 | C17 | H172 | 105.6° | 109.4° |
| C22 | C16 | H16 | 107.7° | 109.5° |
| C16 | C22 | O23 | 110.1° | 109.5° |
| C16 | C22 | H221 | 109.2° | 109.5° |
| C16 | C22 | H222 | 109.1° | 109.4° |
| O23 | C22 | H221 | 109.3° | 109.4° |
| O23 | C22 | H222 | 109.1° | 109.5° |
| C22 | O23 | HO23 | 109.5° | 114.0° |
| H221 | C22 | H222 | 110.0° | 109.5° |
| C18 | C17 | H171 | 107.2° | 109.5° |
| C18 | C17 | H172 | 105.7° | 109.5° |
| C17 | C18 | C19 | 113.1° | 109.4° |
| C17 | C18 | H181 | 108.3° | 109.5° |
| C17 | C18 | H182 | 107.5° | 109.5° |
| H171 | C17 | H172 | 115.0° | 109.4° |
| C19 | C18 | H181 | 108.3° | 109.4° |
| C19 | C18 | H182 | 107.5° | 109.4° |
| C18 | C19 | C20 | 115.0° | 109.5° |
| C18 | C19 | H191 | 107.6° | 109.5° |
| C18 | C19 | H192 | 106.4° | 109.5° |
| H181 | C18 | H182 | 112.3° | 109.5° |
| C20 | C19 | H191 | 107.7° | 109.5° |
| C20 | C19 | H192 | 106.4° | 109.4° |
| C19 | C20 | N21 | 107.4° | 109.5° |
| C19 | C20 | H201 | 110.2° | 109.5° |
| C19 | C20 | H202 | 110.6° | 109.4° |
| H191 | C19 | H192 | 113.9° | 109.5° |
| N21 | C20 | H201 | 110.2° | 109.5° |
| N21 | C20 | H202 | 110.6° | 109.5° |
| C20 | N21 | C39 | 123.4° | 120.0° |
| C20 | N21 | HN21 | 118.3° | 120.1° |
| H201 | C20 | H202 | 107.9° | 109.4° |
| C39 | N21 | HN21 | 118.3° | 120.0° |
| N21 | C39 | C37 | 115.0° | 120.0° |
| N21 | C39 | O40 | 126.3° | 120.0° |
| C37 | C39 | O40 | 118.7° | 120.0° |
| C39 | C37 | C30 | 107.9° | 109.5° |
| C39 | C37 | N38 | 108.0° | 109.5° |
| C39 | C37 | H37 | 110.8° | 109.5° |
| C30 | C37 | N38 | 107.3° | 109.4° |
| C30 | C37 | H37 | 111.4° | 109.4° |
| C37 | C30 | C31 | 111.8° | 109.5° |
| C37 | C30 | C24 | 113.1° | 109.4° |
| C37 | C30 | H30 | 104.3° | 109.4° |
| N38 | C37 | H37 | 111.3° | 109.5° |
| C37 | N38 | C41 | 120.0° | 120.0° |
| C37 | N38 | HN38 | 120.0° | 120.0° |
| C41 | N38 | HN38 | 120.0° | 120.0° |
| N38 | C41 | O43 | 120.4° | 120.0° |
| N38 | C41 | O42 | 119.3° | 120.0° |
| O43 | C41 | O42 | 120.4° | 120.0° |
| C41 | O42 | C44 | 120.2° | 117.0° |
| O42 | C44 | H441 | 109.5° | 109.5° |
| O42 | C44 | H442 | 109.4° | 109.4° |
| O42 | C44 | H443 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H442 | C44 | H443 | 109.5° | 109.4° |
| C31 | C30 | C24 | 106.2° | 109.5° |
| C31 | C30 | H30 | 111.4° | 109.5° |
| C30 | C31 | C36 | 121.3° | 120.0° |
| C30 | C31 | C32 | 119.2° | 120.0° |
| C24 | C30 | H30 | 110.1° | 109.5° |
| C30 | C24 | C25 | 121.6° | 120.0° |
| C30 | C24 | C29 | 118.4° | 120.0° |
| C25 | C24 | C29 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| C24 | C29 | C28 | 119.6° | 120.0° |
| C24 | C29 | H29 | 120.2° | 120.0° |
| C26 | C25 | H25 | 119.8° | 120.0° |
| C25 | C26 | C27 | 119.4° | 120.0° |
| C25 | C26 | H26 | 120.3° | 120.0° |
| C27 | C26 | H26 | 120.3° | 120.0° |
| C26 | C27 | C28 | 120.4° | 120.0° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | C29 | 120.2° | 120.0° |
| C27 | C28 | H28 | 119.9° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | H29 | 120.2° | 120.0° |
| C36 | C31 | C32 | 119.3° | 120.0° |
| C31 | C36 | C35 | 120.3° | 120.0° |
| C31 | C36 | H36 | 119.8° | 120.0° |
| C31 | C32 | C33 | 120.5° | 120.0° |
| C31 | C32 | H32 | 119.7° | 120.0° |
| C33 | C32 | H32 | 119.7° | 120.0° |
| C32 | C33 | C34 | 119.6° | 120.0° |
| C32 | C33 | H33 | 120.2° | 119.9° |
| C34 | C33 | H33 | 120.2° | 120.0° |
| C33 | C34 | C35 | 120.3° | 120.0° |
| C33 | C34 | H34 | 119.9° | 120.0° |
| C35 | C34 | H34 | 119.8° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.0° |
| C34 | C35 | H35 | 120.0° | 120.0° |
| C36 | C35 | H35 | 120.1° | 120.0° |
| C35 | C36 | H36 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | S7 | C1 | O8 | 120.4° | 132.9° |
| O9 | S7 | C1 | N10 | 116.2° | 113.5° |
| O9 | S7 | O8 | N10 | 115.8° | 123.0° |
| O9 | S7 | C1 | C2 | 10.5° | 156.4° |
| O9 | S7 | C1 | C6 | 169.5° | 23.3° |
| O9 | S7 | N10 | C11 | 73.1° | 24.7° |
| O9 | S7 | N10 | C16 | 156.2° | 155.3° |
| C1 | S7 | O8 | N10 | 123.9° | 114.1° |
| S7 | C1 | C2 | C6 | 179.9° | 179.7° |
| S7 | C1 | C2 | C3 | 179.6° | 180.0° |
| S7 | C1 | C2 | H2 | 0.4° | 0.1° |
| S7 | C1 | C6 | C5 | 178.8° | 179.8° |
| S7 | C1 | C6 | H6 | 1.2° | 0.1° |
| C1 | S7 | N10 | C11 | 45.6° | 88.8° |
| C1 | S7 | N10 | C16 | 85.1° | 91.2° |
| O8 | S7 | C1 | C2 | 131.0° | 23.5° |
| O8 | S7 | C1 | C6 | 49.1° | 156.2° |
| O8 | S7 | N10 | C11 | 168.4° | 157.6° |
| O8 | S7 | N10 | C16 | 37.6° | 22.3° |
| N10 | S7 | C1 | C2 | 105.7° | 90.0° |
| N10 | S7 | C1 | C6 | 74.3° | 90.3° |
| S7 | N10 | C11 | C16 | 128.0° | 179.9° |
| S7 | N10 | C11 | C12 | 139.6° | 64.0° |
| S7 | N10 | C11 | H111 | 19.6° | 176.0° |
| S7 | N10 | C11 | H112 | 101.6° | 56.0° |
| S7 | N10 | C16 | C17 | 109.4° | 117.4° |
| S7 | N10 | C16 | C22 | 125.0° | 122.6° |
| S7 | N10 | C16 | H16 | 8.5° | 2.5° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.8° | 0.1° |
| C1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C2 | C1 | C6 | C5 | 1.1° | 0.5° |
| C2 | C1 | C6 | H6 | 178.9° | 179.6° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C6 | C1 | C2 | H2 | 179.7° | 179.8° |
| C1 | C6 | C5 | C4 | 0.7° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.3° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C15 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.3° | 0.0° |
| H2 | C2 | C3 | C4 | 179.1° | 180.0° |
| H2 | C2 | C3 | H3 | 0.8° | 0.1° |
| C3 | C4 | C15 | C5 | 178.8° | 179.9° |
| C3 | C4 | C15 | N45 | 8.9° | 90.0° |
| C3 | C4 | C15 | H151 | 111.0° | 150.0° |
| C3 | C4 | C15 | H152 | 127.1° | 30.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.1° |
| C3 | C4 | C5 | H5 | 179.4° | 180.0° |
| H3 | C3 | C4 | C15 | 0.1° | 0.0° |
| H3 | C3 | C4 | C5 | 178.7° | 179.9° |
| C4 | C15 | N45 | H151 | 120.0° | 120.1° |
| C4 | C15 | N45 | H152 | 118.2° | 120.0° |
| C4 | C15 | H151 | H152 | 118.3° | 120.0° |
| C4 | C15 | N45 | H451 | 60.3° | 179.9° |
| C4 | C15 | N45 | H452 | 179.7° | 56.1° |
| C15 | C4 | C5 | C6 | 179.4° | 179.8° |
| C15 | C4 | C5 | H5 | 0.5° | 0.0° |
| C5 | C4 | C15 | N45 | 172.3° | 90.0° |
| C5 | C4 | C15 | H151 | 67.8° | 30.1° |
| C5 | C4 | C15 | H152 | 54.1° | 150.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C4 | C5 | C6 | H6 | 179.3° | 179.8° |
| N45 | C15 | H151 | H152 | 118.3° | 120.0° |
| C15 | N45 | H451 | H452 | 120.0° | 123.9° |
| H151 | C15 | N45 | H451 | 59.7° | 60.0° |
| H151 | C15 | N45 | H452 | 60.3° | 176.1° |
| H152 | C15 | N45 | H451 | 178.4° | 60.0° |
| H152 | C15 | N45 | H452 | 61.6° | 63.9° |
| H5 | C5 | C6 | H6 | 0.7° | 0.1° |
| N10 | C11 | C12 | H111 | 120.0° | 120.0° |
| N10 | C11 | C12 | H112 | 118.8° | 119.9° |
| N10 | C11 | H111 | H112 | 118.9° | 120.0° |
| N10 | C11 | C12 | C14 | 58.5° | 178.7° |
| N10 | C11 | C12 | C13 | 177.5° | 58.6° |
| N10 | C11 | C12 | H12 | 61.4° | 61.3° |
| C11 | N10 | C16 | C17 | 124.8° | 62.7° |
| C11 | N10 | C16 | C22 | 0.8° | 57.3° |
| C11 | N10 | C16 | H16 | 117.2° | 177.4° |
| C16 | N10 | C11 | C12 | 92.5° | 115.9° |
| C16 | N10 | C11 | H111 | 147.5° | 4.1° |
| C16 | N10 | C11 | H112 | 26.4° | 124.1° |
| N10 | C16 | C17 | C22 | 128.9° | 120.0° |
| N10 | C16 | C17 | H16 | 113.7° | 120.0° |
| N10 | C16 | C22 | H16 | 113.5° | 120.1° |
| N10 | C16 | C22 | O23 | 168.9° | 66.5° |
| N10 | C16 | C22 | H221 | 48.9° | 53.5° |
| N10 | C16 | C22 | H222 | 71.4° | 173.5° |
| N10 | C16 | C17 | C18 | 16.1° | 65.0° |
| N10 | C16 | C17 | H171 | 136.1° | 55.1° |
| N10 | C16 | C17 | H172 | 100.8° | 175.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | C12 | C14 | C13 | 119.0° | 120.0° |
| C11 | C12 | C14 | H12 | 119.9° | 120.0° |
| C11 | C12 | C13 | H12 | 119.9° | 120.0° |
| C11 | C12 | C13 | H131 | 80.8° | 177.5° |
| C11 | C12 | C13 | H132 | 39.3° | 62.4° |
| C11 | C12 | C13 | H133 | 159.2° | 57.6° |
| C11 | C12 | C14 | H141 | 83.6° | 60.0° |
| C11 | C12 | C14 | H142 | 36.4° | 180.0° |
| C11 | C12 | C14 | H143 | 156.4° | 60.1° |
| H111 | C11 | C12 | C14 | 61.5° | 58.7° |
| H111 | C11 | C12 | C13 | 57.5° | 61.4° |
| H111 | C11 | C12 | H12 | 178.6° | 178.7° |
| H112 | C11 | C12 | C14 | 177.3° | 61.4° |
| H112 | C11 | C12 | C13 | 63.7° | 178.6° |
| H112 | C11 | C12 | H12 | 57.4° | 58.6° |
| C14 | C12 | C13 | H12 | 119.9° | 120.0° |
| C14 | C12 | C13 | H131 | 39.4° | 57.5° |
| C14 | C12 | C13 | H132 | 159.5° | 177.5° |
| C14 | C12 | C13 | H133 | 80.5° | 62.5° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H143 | 120.0° | 120.0° |
| C12 | C14 | H142 | H143 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.1° |
| C12 | C13 | H131 | H133 | 120.0° | 119.9° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | C12 | C14 | H141 | 157.4° | 180.0° |
| C13 | C12 | C14 | H142 | 82.6° | 59.9° |
| C13 | C12 | C14 | H143 | 37.4° | 60.0° |
| H12 | C12 | C13 | H131 | 159.3° | 62.5° |
| H12 | C12 | C13 | H132 | 80.6° | 57.6° |
| H12 | C12 | C13 | H133 | 39.4° | 177.6° |
| H12 | C12 | C14 | H141 | 36.3° | 60.0° |
| H12 | C12 | C14 | H142 | 156.3° | 60.0° |
| H12 | C12 | C14 | H143 | 83.7° | 179.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| C17 | C16 | C22 | H16 | 118.6° | 120.0° |
| C17 | C16 | C22 | O23 | 40.9° | 53.4° |
| C17 | C16 | C22 | H221 | 79.1° | 173.4° |
| C17 | C16 | C22 | H222 | 160.7° | 66.6° |
| C16 | C17 | C18 | H171 | 120.0° | 120.0° |
| C16 | C17 | C18 | H172 | 116.8° | 120.0° |
| C16 | C17 | H171 | H172 | 117.2° | 119.9° |
| C16 | C17 | C18 | C19 | 136.0° | 180.0° |
| C16 | C17 | C18 | H181 | 16.0° | 60.0° |
| C16 | C17 | C18 | H182 | 105.6° | 60.1° |
| C16 | C22 | O23 | H221 | 120.0° | 120.0° |
| C16 | C22 | O23 | H222 | 119.7° | 120.0° |
| C16 | C22 | H221 | H222 | 119.7° | 120.0° |
| C16 | C22 | O23 | HO23 | 178.3° | 174.0° |
| C22 | C16 | C17 | C18 | 112.8° | 175.0° |
| C22 | C16 | C17 | H171 | 7.2° | 64.9° |
| C22 | C16 | C17 | H172 | 130.3° | 55.0° |
| H16 | C16 | C22 | O23 | 77.7° | 173.5° |
| H16 | C16 | C22 | H221 | 162.3° | 66.6° |
| H16 | C16 | C22 | H222 | 42.0° | 53.4° |
| H16 | C16 | C17 | C18 | 129.8° | 55.0° |
| H16 | C16 | C17 | H171 | 110.2° | 175.0° |
| H16 | C16 | C17 | H172 | 12.9° | 65.1° |
| O23 | C22 | H221 | H222 | 119.8° | 120.0° |
| H221 | C22 | O23 | HO23 | 58.3° | 66.0° |
| H222 | C22 | O23 | HO23 | 62.0° | 54.0° |
| C18 | C17 | H171 | H172 | 117.2° | 120.0° |
| C17 | C18 | C19 | H181 | 120.0° | 120.0° |
| C17 | C18 | C19 | H182 | 118.4° | 120.0° |
| C17 | C18 | H181 | H182 | 118.5° | 120.1° |
| C17 | C18 | C19 | C20 | 72.2° | 180.0° |
| C17 | C18 | C19 | H191 | 47.8° | 60.0° |
| C17 | C18 | C19 | H192 | 170.3° | 60.0° |
| H171 | C17 | C18 | C19 | 104.0° | 60.0° |
| H171 | C17 | C18 | H181 | 136.0° | 179.9° |
| H171 | C17 | C18 | H182 | 14.4° | 60.0° |
| H172 | C17 | C18 | C19 | 19.1° | 60.0° |
| H172 | C17 | C18 | H181 | 100.9° | 60.0° |
| H172 | C17 | C18 | H182 | 137.6° | 179.9° |
| C19 | C18 | H181 | H182 | 118.5° | 120.0° |
| C18 | C19 | C20 | H191 | 120.0° | 120.0° |
| C18 | C19 | C20 | H192 | 117.5° | 120.0° |
| C18 | C19 | H191 | H192 | 117.7° | 120.0° |
| C18 | C19 | C20 | N21 | 125.4° | 180.0° |
| C18 | C19 | C20 | H201 | 114.6° | 59.9° |
| C18 | C19 | C20 | H202 | 4.6° | 60.0° |
| H181 | C18 | C19 | C20 | 167.8° | 60.0° |
| H181 | C18 | C19 | H191 | 72.2° | 180.0° |
| H181 | C18 | C19 | H192 | 50.3° | 59.9° |
| H182 | C18 | C19 | C20 | 46.2° | 60.0° |
| H182 | C18 | C19 | H191 | 166.2° | 60.0° |
| H182 | C18 | C19 | H192 | 71.3° | 180.0° |
| C20 | C19 | H191 | H192 | 117.7° | 120.0° |
| C19 | C20 | N21 | H201 | 120.0° | 120.0° |
| C19 | C20 | N21 | H202 | 120.8° | 119.9° |
| C19 | C20 | H201 | H202 | 120.8° | 119.9° |
| C19 | C20 | N21 | C39 | 158.5° | 180.0° |
| C19 | C20 | N21 | HN21 | 21.5° | 0.0° |
| H191 | C19 | C20 | N21 | 5.4° | 60.0° |
| H191 | C19 | C20 | H201 | 125.4° | 180.0° |
| H191 | C19 | C20 | H202 | 115.4° | 60.0° |
| H192 | C19 | C20 | N21 | 117.1° | 60.0° |
| H192 | C19 | C20 | H201 | 2.9° | 60.0° |
| H192 | C19 | C20 | H202 | 122.1° | 180.0° |
| N21 | C20 | H201 | H202 | 120.8° | 120.0° |
| C20 | N21 | C39 | HN21 | 180.0° | 180.0° |
| C20 | N21 | C39 | C37 | 177.4° | 180.0° |
| C20 | N21 | C39 | O40 | 1.0° | 0.0° |
| H201 | C20 | N21 | C39 | 81.5° | 60.0° |
| H201 | C20 | N21 | HN21 | 98.5° | 120.0° |
| H202 | C20 | N21 | C39 | 37.7° | 60.0° |
| H202 | C20 | N21 | HN21 | 142.3° | 119.9° |
| N21 | C39 | C37 | O40 | 178.5° | 180.0° |
| N21 | C39 | C37 | C30 | 107.9° | 80.0° |
| N21 | C39 | C37 | N38 | 136.4° | 160.0° |
| N21 | C39 | C37 | H37 | 14.2° | 40.0° |
| HN21 | N21 | C39 | C37 | 2.6° | 0.0° |
| HN21 | N21 | C39 | O40 | 179.0° | 180.0° |
| C39 | C37 | C30 | N38 | 116.1° | 120.0° |
| C39 | C37 | C30 | H37 | 121.8° | 120.0° |
| C39 | C37 | N38 | H37 | 121.8° | 120.0° |
| C39 | C37 | N38 | C41 | 113.6° | 60.0° |
| C39 | C37 | N38 | HN38 | 66.4° | 120.0° |
| C39 | C37 | C30 | C31 | 65.2° | 180.0° |
| C39 | C37 | C30 | C24 | 174.9° | 60.0° |
| C39 | C37 | C30 | H30 | 55.3° | 60.0° |
| O40 | C39 | C37 | C30 | 70.6° | 100.0° |
| O40 | C39 | C37 | N38 | 45.1° | 20.0° |
| O40 | C39 | C37 | H37 | 167.2° | 140.0° |
| C30 | C37 | N38 | H37 | 122.2° | 119.9° |
| C30 | C37 | N38 | C41 | 130.3° | 60.1° |
| C30 | C37 | N38 | HN38 | 49.6° | 120.0° |
| C37 | C30 | C31 | C24 | 123.8° | 120.0° |
| C37 | C30 | C31 | H30 | 116.3° | 120.0° |
| C37 | C30 | C24 | H30 | 116.3° | 120.0° |
| C37 | C30 | C24 | C25 | 35.2° | 124.6° |
| C37 | C30 | C24 | C29 | 147.5° | 55.2° |
| C37 | C30 | C31 | C36 | 67.9° | 128.7° |
| C37 | C30 | C31 | C32 | 115.6° | 51.0° |
| C37 | N38 | C41 | HN38 | 180.0° | 179.9° |
| C37 | N38 | C41 | O43 | 1.3° | 0.1° |
| C37 | N38 | C41 | O42 | 179.2° | 180.0° |
| N38 | C37 | C30 | C31 | 178.7° | 60.0° |
| N38 | C37 | C30 | C24 | 58.8° | 180.0° |
| N38 | C37 | C30 | H30 | 60.8° | 60.0° |
| H37 | C37 | N38 | C41 | 8.2° | 180.0° |
| H37 | C37 | N38 | HN38 | 171.8° | 0.1° |
| H37 | C37 | C30 | C31 | 56.6° | 59.9° |
| H37 | C37 | C30 | C24 | 63.3° | 60.0° |
| H37 | C37 | C30 | H30 | 177.1° | 180.0° |
| N38 | C41 | O43 | O42 | 179.5° | 180.0° |
| N38 | C41 | O42 | C44 | 148.2° | 180.0° |
| HN38 | N38 | C41 | O43 | 178.6° | 180.0° |
| HN38 | N38 | C41 | O42 | 0.9° | 0.0° |
| O43 | C41 | O42 | C44 | 32.3° | 0.0° |
| C41 | O42 | C44 | H441 | 147.1° | 180.0° |
| C41 | O42 | C44 | H442 | 92.9° | 60.0° |
| C41 | O42 | C44 | H443 | 27.1° | 60.0° |
| O42 | C44 | H441 | H442 | 120.0° | 120.0° |
| O42 | C44 | H441 | H443 | 120.0° | 120.0° |
| O42 | C44 | H442 | H443 | 120.0° | 120.0° |
| H441 | C44 | H442 | H443 | 120.0° | 120.0° |
| C31 | C30 | C24 | H30 | 120.7° | 120.0° |
| C31 | C30 | C24 | C25 | 87.8° | 115.4° |
| C31 | C30 | C24 | C29 | 89.5° | 64.8° |
| C30 | C31 | C36 | C32 | 176.4° | 179.7° |
| C30 | C31 | C32 | C33 | 176.5° | 180.0° |
| C30 | C31 | C32 | H32 | 3.5° | 0.0° |
| C30 | C31 | C36 | C35 | 177.5° | 179.8° |
| C30 | C31 | C36 | H36 | 2.5° | 0.0° |
| C30 | C24 | C25 | C29 | 177.2° | 179.8° |
| C30 | C24 | C25 | C26 | 177.6° | 180.0° |
| C30 | C24 | C25 | H25 | 2.3° | 0.0° |
| C30 | C24 | C29 | C28 | 178.7° | 179.8° |
| C30 | C24 | C29 | H29 | 1.3° | 0.0° |
| C24 | C30 | C31 | C36 | 55.9° | 111.3° |
| C24 | C30 | C31 | C32 | 120.6° | 68.9° |
| H30 | C30 | C24 | C25 | 151.5° | 4.6° |
| H30 | C30 | C24 | C29 | 31.3° | 175.1° |
| H30 | C30 | C31 | C36 | 175.8° | 8.7° |
| H30 | C30 | C31 | C32 | 0.7° | 171.1° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.8° | 0.0° |
| C24 | C25 | C26 | H26 | 179.2° | 180.0° |
| C25 | C24 | C29 | C28 | 1.4° | 0.5° |
| C25 | C24 | C29 | H29 | 178.6° | 179.8° |
| C29 | C24 | C25 | C26 | 0.4° | 0.2° |
| C29 | C24 | C25 | H25 | 179.5° | 179.7° |
| C24 | C29 | C28 | C27 | 1.1° | 0.5° |
| C24 | C29 | C28 | H29 | 180.0° | 179.8° |
| C24 | C29 | C28 | H28 | 178.9° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 1.2° | 0.1° |
| C25 | C26 | C27 | H27 | 178.8° | 179.9° |
| H25 | C25 | C26 | C27 | 179.2° | 180.0° |
| H25 | C25 | C26 | H26 | 0.8° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.2° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| H26 | C26 | C27 | C28 | 178.8° | 180.0° |
| H26 | C26 | C27 | H27 | 1.2° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | H29 | 178.9° | 179.8° |
| H27 | C27 | C28 | C29 | 179.8° | 179.8° |
| H27 | C27 | C28 | H28 | 0.2° | 0.0° |
| H28 | C28 | C29 | H29 | 1.1° | 0.0° |
| C36 | C31 | C32 | C33 | 0.0° | 0.2° |
| C36 | C31 | C32 | H32 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 1.3° | 0.4° |
| C31 | C36 | C35 | H36 | 180.0° | 179.9° |
| C31 | C36 | C35 | H35 | 178.7° | 179.7° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.9° | 0.0° |
| C31 | C32 | C33 | H33 | 179.1° | 180.0° |
| C32 | C31 | C36 | C35 | 1.1° | 0.4° |
| C32 | C31 | C36 | H36 | 178.9° | 179.7° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.7° | 0.0° |
| C32 | C33 | C34 | H34 | 179.2° | 179.9° |
| H32 | C32 | C33 | C34 | 179.1° | 180.0° |
| H32 | C32 | C33 | H33 | 0.9° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.4° | 0.2° |
| C33 | C34 | C35 | H35 | 179.6° | 179.9° |
| H33 | C33 | C34 | C35 | 179.3° | 180.0° |
| H33 | C33 | C34 | H34 | 0.8° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 178.7° | 179.8° |
| H34 | C34 | C35 | C36 | 179.7° | 179.9° |
| H34 | C34 | C35 | H35 | 0.4° | 0.0° |
| H35 | C35 | C36 | H36 | 1.3° | 0.2° |
