MU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | C10 | sing | 1.47Å | 1.45Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | 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 | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C11 | N3 | sing | 1.35Å | 1.33Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| N3 | C12 | sing | 1.46Å | 1.46Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C12 | C23 | sing | 1.53Å | 1.51Å | |
| C12 | C22 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | C20 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O4 | sing | 1.43Å | 1.44Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| C25 | N4 | sing | 1.46Å | 1.47Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | C4 | sing | 1.51Å | 1.51Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | C26 | sing | 1.35Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | O5 | doub | 1.21Å | 1.23Å | |
| C27 | O28 | sing | 1.46Å | 1.43Å | |
| C27 | C32 | sing | 1.54Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | N31 | sing | 1.47Å | 1.45Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| O28 | C30 | sing | 1.34Å | 1.44Å | |
| C30 | O30 | doub | 1.22Å | 1.20Å | |
| C30 | N31 | sing | 1.34Å | 1.31Å | |
| N31 | C33 | sing | 1.40Å | 1.41Å | |
| C33 | C38 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.40Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C39 | sing | 1.47Å | 1.51Å | |
| C39 | C40 | sing | 1.51Å | 1.50Å | |
| C39 | O39 | doub | 1.21Å | 1.23Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | N1 | 121.7° | 120.0° |
| O1 | C3 | C2 | 121.9° | 120.0° |
| N1 | C3 | C2 | 116.3° | 120.0° |
| C3 | N1 | C10 | 123.1° | 120.0° |
| C3 | N1 | HN1 | 118.4° | 120.0° |
| C3 | C2 | H21A | 109.5° | 109.5° |
| C3 | C2 | H22 | 109.5° | 109.4° |
| C3 | C2 | H23 | 109.4° | 109.4° |
| H21A | C2 | H22 | 109.5° | 109.5° |
| H21A | C2 | H23 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
| C10 | N1 | HN1 | 118.5° | 120.0° |
| N1 | C10 | C11 | 110.2° | 109.4° |
| N1 | C10 | C13 | 111.0° | 109.5° |
| N1 | C10 | H10 | 108.6° | 109.4° |
| C11 | C10 | C13 | 111.4° | 109.5° |
| C11 | C10 | H10 | 108.2° | 109.5° |
| C10 | C11 | N3 | 114.3° | 120.0° |
| C10 | C11 | O2 | 120.3° | 120.0° |
| C13 | C10 | H10 | 107.3° | 109.5° |
| C10 | C13 | C14 | 110.6° | 109.5° |
| C10 | C13 | C15 | 111.3° | 109.5° |
| C10 | C13 | H13 | 108.2° | 109.5° |
| C14 | C13 | C15 | 111.5° | 109.5° |
| C14 | C13 | H13 | 107.9° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.5° |
| C13 | C14 | H143 | 109.4° | 109.5° |
| C15 | C13 | H13 | 107.2° | 109.5° |
| C13 | C15 | H151 | 109.5° | 109.5° |
| C13 | C15 | H152 | 109.5° | 109.5° |
| C13 | C15 | H153 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| N3 | C11 | O2 | 125.3° | 120.0° |
| C11 | N3 | C12 | 125.0° | 120.0° |
| C11 | N3 | HN3 | 117.5° | 120.0° |
| C12 | N3 | HN3 | 117.5° | 120.0° |
| N3 | C12 | C23 | 110.6° | 109.5° |
| N3 | C12 | C22 | 113.2° | 109.4° |
| N3 | C12 | H12 | 104.7° | 109.5° |
| C23 | C12 | C22 | 104.6° | 109.5° |
| C23 | C12 | H12 | 113.2° | 109.5° |
| C12 | C23 | C24 | 115.3° | 109.5° |
| C12 | C23 | H231 | 107.5° | 109.5° |
| C12 | C23 | H232 | 106.2° | 109.5° |
| C22 | C12 | H12 | 110.7° | 109.5° |
| C12 | C22 | C20 | 112.6° | 109.5° |
| C12 | C22 | H221 | 108.4° | 109.5° |
| C12 | C22 | H222 | 107.7° | 109.4° |
| C20 | C22 | H221 | 108.4° | 109.4° |
| C20 | C22 | H222 | 107.7° | 109.5° |
| C22 | C20 | C19 | 119.7° | 120.0° |
| C22 | C20 | C21 | 120.5° | 120.0° |
| H221 | C22 | H222 | 112.0° | 109.5° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C20 | C21 | C16 | 119.9° | 120.0° |
| C20 | C21 | H21 | 120.1° | 120.0° |
| C16 | C21 | H21 | 120.0° | 120.0° |
| C21 | C16 | C17 | 120.2° | 120.0° |
| C21 | C16 | H16 | 119.9° | 120.0° |
| C17 | C16 | H16 | 119.9° | 120.0° |
| C16 | C17 | C18 | 119.7° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 119.8° | 120.1° |
| C24 | C23 | H231 | 107.6° | 109.5° |
| C24 | C23 | H232 | 106.2° | 109.4° |
| C23 | C24 | O4 | 106.5° | 109.5° |
| C23 | C24 | C25 | 112.4° | 109.5° |
| C23 | C24 | H24 | 110.3° | 109.5° |
| H231 | C23 | H232 | 114.2° | 109.4° |
| O4 | C24 | C25 | 111.6° | 109.4° |
| O4 | C24 | H24 | 111.1° | 109.5° |
| C24 | O4 | HO4 | 109.5° | 114.0° |
| C25 | C24 | H24 | 105.1° | 109.4° |
| C24 | C25 | C29 | 108.9° | 109.5° |
| C24 | C25 | N4 | 114.4° | 109.5° |
| C24 | C25 | H25 | 106.4° | 109.4° |
| C29 | C25 | N4 | 109.2° | 109.5° |
| C29 | C25 | H25 | 111.8° | 109.5° |
| C25 | C29 | C4 | 110.2° | 109.5° |
| C25 | C29 | H291 | 109.2° | 109.5° |
| C25 | C29 | H292 | 109.0° | 109.5° |
| N4 | C25 | H25 | 106.1° | 109.5° |
| C25 | N4 | C26 | 124.6° | 120.0° |
| C25 | N4 | HN4 | 117.7° | 120.0° |
| C4 | C29 | H291 | 109.2° | 109.5° |
| C4 | C29 | H292 | 109.1° | 109.5° |
| C29 | C4 | C5 | 120.4° | 120.0° |
| C29 | C4 | C9 | 119.6° | 120.0° |
| H291 | C29 | H292 | 110.1° | 109.4° |
| C5 | C4 | C9 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C4 | C9 | C8 | 119.6° | 120.0° |
| C4 | C9 | H9 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C7 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | C8 | 119.7° | 120.0° |
| C6 | C7 | H7 | 120.1° | 120.0° |
| C8 | C7 | H7 | 120.1° | 120.0° |
| C7 | C8 | C9 | 120.7° | 120.0° |
| C7 | C8 | H8 | 119.6° | 120.0° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 120.2° | 120.0° |
| C26 | N4 | HN4 | 117.7° | 120.0° |
| N4 | C26 | C27 | 117.7° | 120.0° |
| N4 | C26 | O5 | 124.7° | 120.0° |
| C27 | C26 | O5 | 117.6° | 120.0° |
| C26 | C27 | O28 | 112.8° | 110.5° |
| C26 | C27 | C32 | 110.4° | 110.5° |
| C26 | C27 | H27 | 105.5° | 110.4° |
| O28 | C27 | C32 | 105.8° | 104.0° |
| O28 | C27 | H27 | 110.1° | 110.5° |
| C27 | O28 | C30 | 107.5° | 109.5° |
| C32 | C27 | H27 | 112.4° | 110.7° |
| C27 | C32 | N31 | 103.4° | 103.8° |
| C27 | C32 | H321 | 111.6° | 110.6° |
| C27 | C32 | H322 | 112.8° | 110.5° |
| N31 | C32 | H321 | 111.5° | 110.6° |
| N31 | C32 | H322 | 112.8° | 110.5° |
| C32 | N31 | C30 | 112.2° | 108.9° |
| C32 | N31 | C33 | 123.5° | 125.6° |
| H321 | C32 | H322 | 104.9° | 110.6° |
| O28 | C30 | O30 | 121.4° | 123.1° |
| O28 | C30 | N31 | 110.4° | 113.8° |
| O30 | C30 | N31 | 128.2° | 123.1° |
| C30 | N31 | C33 | 124.3° | 125.6° |
| N31 | C33 | C38 | 121.5° | 120.0° |
| N31 | C33 | C34 | 120.2° | 120.0° |
| C38 | C33 | C34 | 118.4° | 120.1° |
| C33 | C38 | C37 | 120.2° | 120.3° |
| C33 | C38 | H38 | 119.9° | 119.9° |
| C33 | C34 | C35 | 121.9° | 119.7° |
| C33 | C34 | H34 | 119.0° | 120.2° |
| C37 | C38 | H38 | 119.9° | 119.8° |
| C38 | C37 | C36 | 121.1° | 120.3° |
| C38 | C37 | H37 | 119.5° | 119.9° |
| C36 | C37 | H37 | 119.5° | 119.9° |
| C37 | C36 | C35 | 119.7° | 120.0° |
| C37 | C36 | H36 | 120.1° | 120.0° |
| C35 | C36 | H36 | 120.1° | 120.0° |
| C36 | C35 | C34 | 118.8° | 119.7° |
| C36 | C35 | C39 | 121.0° | 120.2° |
| C35 | C34 | H34 | 119.0° | 120.1° |
| C34 | C35 | C39 | 120.3° | 120.1° |
| C35 | C39 | C40 | 120.2° | 120.0° |
| C35 | C39 | O39 | 120.1° | 120.0° |
| C40 | C39 | O39 | 119.7° | 120.0° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.4° | 109.5° |
| H402 | C40 | H403 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | N1 | C2 | 179.2° | 179.7° |
| O1 | C3 | C2 | H21A | 178.9° | 90.0° |
| O1 | C3 | C2 | H22 | 61.1° | 150.0° |
| O1 | C3 | C2 | H23 | 58.9° | 30.0° |
| O1 | C3 | N1 | C10 | 3.4° | 0.1° |
| O1 | C3 | N1 | HN1 | 176.6° | 179.9° |
| N1 | C3 | C2 | H21A | 1.9° | 89.7° |
| N1 | C3 | C2 | H22 | 118.1° | 30.3° |
| N1 | C3 | C2 | H23 | 122.0° | 150.3° |
| C3 | N1 | C10 | HN1 | 180.0° | 179.9° |
| C3 | N1 | C10 | C11 | 122.0° | 155.0° |
| C3 | N1 | C10 | C13 | 114.0° | 85.0° |
| C3 | N1 | C10 | H10 | 3.7° | 35.1° |
| C3 | C2 | H21A | H22 | 120.0° | 120.0° |
| C3 | C2 | H21A | H23 | 120.0° | 120.0° |
| C3 | C2 | H22 | H23 | 120.0° | 119.9° |
| C2 | C3 | N1 | C10 | 175.8° | 179.8° |
| C2 | C3 | N1 | HN1 | 4.2° | 0.4° |
| H21A | C2 | H22 | H23 | 120.0° | 120.0° |
| N1 | C10 | C11 | C13 | 123.7° | 120.0° |
| N1 | C10 | C11 | H10 | 118.5° | 119.9° |
| N1 | C10 | C13 | H10 | 118.5° | 120.0° |
| N1 | C10 | C13 | C14 | 174.4° | 67.8° |
| N1 | C10 | C13 | C15 | 61.1° | 172.2° |
| N1 | C10 | C13 | H13 | 56.4° | 52.2° |
| N1 | C10 | C11 | N3 | 100.7° | 166.7° |
| N1 | C10 | C11 | O2 | 77.4° | 13.3° |
| HN1 | N1 | C10 | C11 | 58.0° | 25.1° |
| HN1 | N1 | C10 | C13 | 66.0° | 94.9° |
| HN1 | N1 | C10 | H10 | 176.3° | 145.0° |
| C11 | C10 | C13 | H10 | 118.2° | 120.0° |
| C11 | C10 | C13 | C14 | 51.1° | 52.2° |
| C11 | C10 | C13 | C15 | 175.6° | 67.9° |
| C11 | C10 | C13 | H13 | 66.9° | 172.2° |
| C10 | C11 | N3 | O2 | 178.0° | 180.0° |
| C10 | C11 | N3 | C12 | 171.7° | 177.5° |
| C10 | C11 | N3 | HN3 | 8.3° | 2.5° |
| C10 | C13 | C14 | C15 | 124.4° | 120.0° |
| C10 | C13 | C14 | H13 | 118.2° | 120.0° |
| C10 | C13 | C15 | H13 | 118.1° | 120.0° |
| C10 | C13 | C14 | H141 | 65.6° | 60.0° |
| C10 | C13 | C14 | H142 | 174.4° | 180.0° |
| C10 | C13 | C14 | H143 | 54.4° | 60.0° |
| C10 | C13 | C15 | H151 | 99.9° | 166.3° |
| C10 | C13 | C15 | H152 | 20.1° | 46.3° |
| C10 | C13 | C15 | H153 | 140.1° | 73.7° |
| C13 | C10 | C11 | N3 | 135.6° | 73.2° |
| C13 | C10 | C11 | O2 | 46.3° | 106.8° |
| H10 | C10 | C13 | C14 | 67.1° | 172.2° |
| H10 | C10 | C13 | C15 | 57.4° | 52.2° |
| H10 | C10 | C13 | H13 | 174.9° | 67.8° |
| H10 | C10 | C11 | N3 | 17.9° | 46.8° |
| H10 | C10 | C11 | O2 | 164.0° | 133.2° |
| C14 | C13 | C15 | H13 | 117.9° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 119.9° | 120.0° |
| C14 | C13 | C15 | H151 | 24.1° | 46.2° |
| C14 | C13 | C15 | H152 | 144.1° | 73.7° |
| C14 | C13 | C15 | H153 | 95.9° | 166.3° |
| C15 | C13 | C14 | H141 | 58.8° | 60.0° |
| C15 | C13 | C14 | H142 | 61.2° | 60.0° |
| C15 | C13 | C14 | H143 | 178.8° | 180.0° |
| C13 | C15 | H151 | H152 | 120.0° | 120.0° |
| C13 | C15 | H151 | H153 | 120.0° | 120.0° |
| C13 | C15 | H152 | H153 | 120.0° | 120.0° |
| H13 | C13 | C14 | H141 | 176.2° | 180.0° |
| H13 | C13 | C14 | H142 | 56.2° | 60.0° |
| H13 | C13 | C14 | H143 | 63.7° | 60.0° |
| H13 | C13 | C15 | H151 | 142.0° | 73.7° |
| H13 | C13 | C15 | H152 | 98.0° | 166.3° |
| H13 | C13 | C15 | H153 | 22.0° | 46.3° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C11 | N3 | C12 | HN3 | 180.0° | 180.0° |
| C11 | N3 | C12 | C23 | 131.4° | 130.2° |
| C11 | N3 | C12 | C22 | 111.6° | 109.8° |
| C11 | N3 | C12 | H12 | 9.0° | 10.2° |
| O2 | C11 | N3 | C12 | 6.2° | 2.5° |
| O2 | C11 | N3 | HN3 | 173.8° | 177.5° |
| N3 | C12 | C23 | C22 | 122.2° | 120.0° |
| N3 | C12 | C23 | H12 | 117.2° | 120.0° |
| N3 | C12 | C22 | H12 | 117.2° | 120.0° |
| N3 | C12 | C22 | C20 | 43.9° | 65.0° |
| N3 | C12 | C22 | H221 | 76.1° | 55.0° |
| N3 | C12 | C22 | H222 | 162.6° | 175.0° |
| N3 | C12 | C23 | C24 | 48.7° | 68.8° |
| N3 | C12 | C23 | H231 | 168.7° | 171.2° |
| N3 | C12 | C23 | H232 | 68.6° | 51.2° |
| HN3 | N3 | C12 | C23 | 48.6° | 49.8° |
| HN3 | N3 | C12 | C22 | 68.4° | 70.2° |
| HN3 | N3 | C12 | H12 | 170.9° | 169.8° |
| C23 | C12 | C22 | H12 | 122.3° | 120.0° |
| C23 | C12 | C22 | C20 | 164.4° | 175.0° |
| C23 | C12 | C22 | H221 | 44.4° | 65.0° |
| C23 | C12 | C22 | H222 | 76.9° | 55.0° |
| C12 | C23 | C24 | H231 | 120.0° | 120.0° |
| C12 | C23 | C24 | H232 | 117.4° | 120.0° |
| C12 | C23 | H231 | H232 | 117.6° | 120.0° |
| C12 | C23 | C24 | O4 | 164.6° | 64.9° |
| C12 | C23 | C24 | C25 | 72.9° | 175.1° |
| C12 | C23 | C24 | H24 | 44.0° | 55.1° |
| C12 | C22 | C20 | H221 | 120.0° | 120.0° |
| C12 | C22 | C20 | H222 | 118.7° | 120.0° |
| C12 | C22 | H221 | H222 | 118.7° | 120.0° |
| C12 | C22 | C20 | C19 | 100.5° | 89.9° |
| C12 | C22 | C20 | C21 | 80.0° | 89.7° |
| C22 | C12 | C23 | C24 | 170.9° | 171.2° |
| C22 | C12 | C23 | H231 | 69.2° | 51.1° |
| C22 | C12 | C23 | H232 | 53.5° | 68.8° |
| H12 | C12 | C22 | C20 | 73.3° | 55.0° |
| H12 | C12 | C22 | H221 | 166.7° | 175.0° |
| H12 | C12 | C22 | H222 | 45.4° | 65.0° |
| H12 | C12 | C23 | C24 | 68.5° | 51.2° |
| H12 | C12 | C23 | H231 | 51.5° | 68.9° |
| H12 | C12 | C23 | H232 | 174.2° | 171.2° |
| C20 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C20 | C19 | C21 | 179.4° | 179.7° |
| C22 | C20 | C21 | C16 | 179.7° | 180.0° |
| C22 | C20 | C21 | H21 | 0.3° | 0.0° |
| C22 | C20 | C19 | C18 | 179.8° | 179.8° |
| C22 | C20 | C19 | H19 | 0.2° | 0.1° |
| H221 | C22 | C20 | C19 | 19.4° | 30.0° |
| H221 | C22 | C20 | C21 | 160.0° | 150.3° |
| H222 | C22 | C20 | C19 | 140.8° | 150.1° |
| H222 | C22 | C20 | C21 | 38.6° | 30.3° |
| C19 | C20 | C21 | C16 | 0.8° | 0.3° |
| C19 | C20 | C21 | H21 | 179.2° | 179.7° |
| C20 | C19 | C18 | C17 | 0.2° | 0.5° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | H18 | 179.8° | 179.7° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.4° | 0.1° |
| C20 | C21 | C16 | H16 | 179.6° | 180.0° |
| C21 | C20 | C19 | C18 | 0.8° | 0.6° |
| C21 | C20 | C19 | H19 | 179.2° | 179.8° |
| C21 | C16 | C17 | H16 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 0.2° | 0.0° |
| C21 | C16 | C17 | H17 | 179.8° | 180.0° |
| H21 | C21 | C16 | C17 | 179.6° | 180.0° |
| H21 | C21 | C16 | H16 | 0.4° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| H16 | C16 | C17 | C18 | 179.8° | 180.0° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C17 | C18 | C19 | H19 | 179.8° | 179.8° |
| H17 | C17 | C18 | C19 | 179.7° | 179.8° |
| H17 | C17 | C18 | H18 | 0.3° | 0.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| C24 | C23 | H231 | H232 | 117.6° | 120.0° |
| C23 | C24 | O4 | C25 | 123.0° | 120.0° |
| C23 | C24 | O4 | H24 | 120.1° | 120.0° |
| C23 | C24 | C25 | H24 | 119.9° | 120.0° |
| C23 | C24 | O4 | HO4 | 63.6° | 63.4° |
| C23 | C24 | C25 | C29 | 174.2° | 180.0° |
| C23 | C24 | C25 | N4 | 63.2° | 60.0° |
| C23 | C24 | C25 | H25 | 53.5° | 60.0° |
| H231 | C23 | C24 | O4 | 75.4° | 175.0° |
| H231 | C23 | C24 | C25 | 47.1° | 55.0° |
| H231 | C23 | C24 | H24 | 163.9° | 64.9° |
| H232 | C23 | C24 | O4 | 47.2° | 55.1° |
| H232 | C23 | C24 | C25 | 169.7° | 64.9° |
| H232 | C23 | C24 | H24 | 73.4° | 175.1° |
| O4 | C24 | C25 | H24 | 120.5° | 120.0° |
| O4 | C24 | C25 | C29 | 66.2° | 60.0° |
| O4 | C24 | C25 | N4 | 56.4° | 60.1° |
| O4 | C24 | C25 | H25 | 173.1° | 180.0° |
| C25 | C24 | O4 | HO4 | 173.4° | 56.6° |
| C24 | C25 | C29 | N4 | 125.6° | 120.0° |
| C24 | C25 | C29 | H25 | 117.3° | 119.9° |
| C24 | C25 | N4 | H25 | 116.9° | 119.9° |
| C24 | C25 | C29 | C4 | 176.8° | 175.0° |
| C24 | C25 | C29 | H291 | 56.8° | 65.0° |
| C24 | C25 | C29 | H292 | 63.5° | 54.9° |
| C24 | C25 | N4 | C26 | 124.1° | 155.0° |
| C24 | C25 | N4 | HN4 | 56.0° | 25.1° |
| H24 | C24 | O4 | HO4 | 56.5° | 176.5° |
| H24 | C24 | C25 | C29 | 54.3° | 60.0° |
| H24 | C24 | C25 | N4 | 176.9° | 180.0° |
| H24 | C24 | C25 | H25 | 66.4° | 60.0° |
| C29 | C25 | N4 | H25 | 120.7° | 120.0° |
| C25 | C29 | C4 | H291 | 120.0° | 120.0° |
| C25 | C29 | C4 | H292 | 119.7° | 120.1° |
| C25 | C29 | H291 | H292 | 119.7° | 120.0° |
| C25 | C29 | C4 | C5 | 106.3° | 89.9° |
| C25 | C29 | C4 | C9 | 72.7° | 90.2° |
| C29 | C25 | N4 | C26 | 113.5° | 84.9° |
| C29 | C25 | N4 | HN4 | 66.4° | 95.0° |
| N4 | C25 | C29 | C4 | 51.2° | 65.0° |
| N4 | C25 | C29 | H291 | 68.8° | 55.0° |
| N4 | C25 | C29 | H292 | 170.9° | 174.9° |
| C25 | N4 | C26 | HN4 | 180.0° | 179.9° |
| C25 | N4 | C26 | C27 | 168.0° | 180.0° |
| C25 | N4 | C26 | O5 | 9.6° | 0.1° |
| H25 | C25 | C29 | C4 | 65.9° | 55.1° |
| H25 | C25 | C29 | H291 | 174.1° | 175.1° |
| H25 | C25 | C29 | H292 | 53.8° | 65.0° |
| H25 | C25 | N4 | C26 | 7.2° | 35.1° |
| H25 | C25 | N4 | HN4 | 172.9° | 145.0° |
| C4 | C29 | H291 | H292 | 119.7° | 120.0° |
| C29 | C4 | C5 | C9 | 179.1° | 179.8° |
| C29 | C4 | C5 | C6 | 179.4° | 180.0° |
| C29 | C4 | C5 | H5 | 0.6° | 0.0° |
| C29 | C4 | C9 | C8 | 179.5° | 179.8° |
| C29 | C4 | C9 | H9 | 0.5° | 0.1° |
| H291 | C29 | C4 | C5 | 13.6° | 30.1° |
| H291 | C29 | C4 | C9 | 167.3° | 149.7° |
| H292 | C29 | C4 | C5 | 134.0° | 150.0° |
| H292 | C29 | C4 | C9 | 46.9° | 29.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.4° | 0.4° |
| C5 | C4 | C9 | H9 | 179.5° | 179.7° |
| C9 | C4 | C5 | C6 | 0.3° | 0.2° |
| C9 | C4 | C5 | H5 | 179.7° | 179.8° |
| C4 | C9 | C8 | C7 | 0.2° | 0.4° |
| C4 | C9 | C8 | H9 | 180.0° | 179.8° |
| C4 | C9 | C8 | H8 | 179.8° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| H5 | C5 | C6 | C7 | 179.9° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C6 | C7 | C8 | H8 | 179.8° | 180.0° |
| H6 | C6 | C7 | C8 | 179.7° | 180.0° |
| H6 | C6 | C7 | H7 | 0.3° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | H9 | 179.8° | 179.8° |
| H7 | C7 | C8 | C9 | 179.8° | 179.8° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| N4 | C26 | C27 | O5 | 177.8° | 179.9° |
| N4 | C26 | C27 | O28 | 0.5° | 176.5° |
| N4 | C26 | C27 | C32 | 118.7° | 68.9° |
| N4 | C26 | C27 | H27 | 119.6° | 53.9° |
| HN4 | N4 | C26 | C27 | 11.9° | 0.1° |
| HN4 | N4 | C26 | O5 | 170.5° | 180.0° |
| C26 | C27 | O28 | C32 | 120.8° | 118.6° |
| C26 | C27 | O28 | H27 | 117.5° | 122.6° |
| C26 | C27 | C32 | H27 | 117.5° | 122.7° |
| C26 | C27 | C32 | N31 | 129.4° | 118.7° |
| C26 | C27 | C32 | H321 | 9.4° | 0.0° |
| C26 | C27 | C32 | H322 | 108.4° | 122.8° |
| C26 | C27 | O28 | C30 | 128.4° | 118.7° |
| O5 | C26 | C27 | O28 | 177.2° | 3.6° |
| O5 | C26 | C27 | C32 | 59.1° | 111.0° |
| O5 | C26 | C27 | H27 | 62.6° | 126.2° |
| O28 | C27 | C32 | H27 | 120.2° | 118.7° |
| O28 | C27 | C32 | N31 | 7.0° | 0.0° |
| O28 | C27 | C32 | H321 | 113.0° | 118.6° |
| O28 | C27 | C32 | H322 | 129.2° | 118.6° |
| C27 | O28 | C30 | O30 | 173.5° | 180.0° |
| C27 | O28 | C30 | N31 | 5.4° | 0.0° |
| C27 | C32 | N31 | H321 | 120.0° | 118.6° |
| C27 | C32 | N31 | H322 | 122.2° | 118.5° |
| C27 | C32 | H321 | H322 | 122.5° | 122.8° |
| C32 | C27 | O28 | C30 | 7.6° | 0.0° |
| C27 | C32 | N31 | C30 | 4.0° | 0.0° |
| C27 | C32 | N31 | C33 | 177.3° | 180.0° |
| H27 | C27 | C32 | N31 | 113.2° | 118.7° |
| H27 | C27 | C32 | H321 | 126.8° | 122.7° |
| H27 | C27 | C32 | H322 | 9.0° | 0.1° |
| H27 | C27 | O28 | C30 | 114.1° | 118.8° |
| N31 | C32 | H321 | H322 | 122.4° | 122.8° |
| C32 | N31 | C30 | O28 | 0.7° | 0.0° |
| C32 | N31 | C30 | O30 | 178.2° | 180.0° |
| C32 | N31 | C30 | C33 | 178.7° | 180.0° |
| C32 | N31 | C33 | C38 | 145.3° | 0.0° |
| C32 | N31 | C33 | C34 | 34.5° | 179.7° |
| H321 | C32 | N31 | C30 | 116.0° | 118.6° |
| H321 | C32 | N31 | C33 | 62.7° | 61.3° |
| H322 | C32 | N31 | C30 | 126.2° | 118.6° |
| H322 | C32 | N31 | C33 | 55.1° | 61.5° |
| O28 | C30 | O30 | N31 | 178.8° | 180.0° |
| O28 | C30 | N31 | C33 | 178.0° | 180.0° |
| O30 | C30 | N31 | C33 | 3.1° | 0.0° |
| C30 | N31 | C33 | C38 | 36.2° | 179.9° |
| C30 | N31 | C33 | C34 | 144.1° | 0.3° |
| N31 | C33 | C38 | C34 | 179.7° | 179.7° |
| N31 | C33 | C38 | C37 | 180.0° | 180.0° |
| N31 | C33 | C38 | H38 | 0.0° | 0.0° |
| N31 | C33 | C34 | C35 | 179.7° | 179.7° |
| N31 | C33 | C34 | H34 | 0.2° | 0.0° |
| C33 | C38 | C37 | H38 | 180.0° | 180.0° |
| C33 | C38 | C37 | C36 | 0.6° | 0.1° |
| C33 | C38 | C37 | H37 | 179.4° | 180.0° |
| C38 | C33 | C34 | C35 | 0.0° | 0.6° |
| C38 | C33 | C34 | H34 | 180.0° | 179.8° |
| C34 | C33 | C38 | C37 | 0.3° | 0.2° |
| C34 | C33 | C38 | H38 | 179.7° | 179.8° |
| C33 | C34 | C35 | C36 | 0.0° | 0.6° |
| C33 | C34 | C35 | H34 | 180.0° | 179.7° |
| C33 | C34 | C35 | C39 | 179.7° | 179.7° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.6° | 0.1° |
| C38 | C37 | C36 | H36 | 179.5° | 180.0° |
| H38 | C38 | C37 | C36 | 179.4° | 179.9° |
| H38 | C38 | C37 | H37 | 0.6° | 0.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.3° | 0.3° |
| C37 | C36 | C35 | C39 | 179.9° | 180.0° |
| H37 | C37 | C36 | C35 | 179.4° | 180.0° |
| H37 | C37 | C36 | H36 | 0.5° | 0.0° |
| C36 | C35 | C34 | C39 | 179.7° | 179.7° |
| C36 | C35 | C34 | H34 | 180.0° | 179.8° |
| C36 | C35 | C39 | C40 | 9.0° | 0.0° |
| C36 | C35 | C39 | O39 | 170.5° | 180.0° |
| H36 | C36 | C35 | C34 | 179.8° | 179.7° |
| H36 | C36 | C35 | C39 | 0.1° | 0.0° |
| C34 | C35 | C39 | C40 | 171.4° | 179.8° |
| C34 | C35 | C39 | O39 | 9.2° | 0.3° |
| H34 | C34 | C35 | C39 | 0.3° | 0.0° |
| C35 | C39 | C40 | O39 | 179.4° | 179.9° |
| C35 | C39 | C40 | H401 | 34.3° | 0.1° |
| C35 | C39 | C40 | H402 | 154.3° | 120.0° |
| C35 | C39 | C40 | H403 | 85.7° | 120.0° |
| C39 | C40 | H401 | H402 | 120.0° | 120.0° |
| C39 | C40 | H401 | H403 | 120.0° | 120.1° |
| C39 | C40 | H402 | H403 | 120.0° | 120.1° |
| O39 | C39 | C40 | H401 | 146.3° | 180.0° |
| O39 | C39 | C40 | H402 | 26.2° | 60.1° |
| O39 | C39 | C40 | H403 | 93.8° | 60.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
