7IM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C1 | doub | 1.21Å | 1.23Å | |
| N2 | C1 | sing | 1.35Å | 1.33Å | |
| C1 | C15 | sing | 1.51Å | 1.54Å | |
| C3 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C11 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.51Å | 1.39Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| O12 | C11 | doub | 1.21Å | 1.25Å | |
| C11 | O13 | sing | 1.34Å | 1.25Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| C15 | C43 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O42 | doub | 1.21Å | 1.22Å | |
| C16 | N17 | sing | 1.35Å | 1.34Å | |
| N17 | C18 | sing | 1.47Å | 1.45Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C18 | C39 | sing | 1.53Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| O38 | C19 | doub | 1.21Å | 1.20Å | |
| C19 | N20 | sing | 1.35Å | 1.32Å | |
| N20 | C21 | sing | 1.47Å | 1.46Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C21 | C35 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.51Å | 1.50Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | O34 | doub | 1.21Å | 1.22Å | |
| C22 | N23 | sing | 1.35Å | 1.33Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| C30 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| O29 | C25 | sing | 1.43Å | 1.36Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.49Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | O28 | sing | 1.43Å | 1.41Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O28 | HO28 | sing | 0.97Å | 0.95Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.50Å | |
| C33 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C37 | C35 | sing | 1.53Å | 1.51Å | |
| O36 | C35 | sing | 1.43Å | 1.41Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| O41 | C39 | sing | 1.43Å | 1.39Å | |
| C39 | C40 | sing | 1.53Å | 1.50Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C43 | H43B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C1 | N2 | 121.2° | 120.0° |
| O14 | C1 | C15 | 121.5° | 120.1° |
| N2 | C1 | C15 | 117.2° | 120.0° |
| C1 | N2 | C3 | 119.8° | 120.0° |
| C1 | N2 | HN2 | 120.0° | 120.0° |
| C1 | C15 | C43 | 108.5° | 109.5° |
| C1 | C15 | C16 | 113.3° | 109.4° |
| C1 | C15 | H15 | 108.6° | 109.5° |
| C3 | N2 | HN2 | 120.1° | 120.0° |
| N2 | C3 | C4 | 113.2° | 109.5° |
| N2 | C3 | C11 | 112.9° | 109.5° |
| N2 | C3 | H3 | 106.6° | 109.5° |
| C4 | C3 | C11 | 111.9° | 109.5° |
| C4 | C3 | H3 | 105.8° | 109.5° |
| C3 | C4 | C5 | 118.9° | 109.5° |
| C3 | C4 | H4 | 107.1° | 109.5° |
| C3 | C4 | H4A | 107.1° | 109.5° |
| C11 | C3 | H3 | 105.8° | 109.4° |
| C3 | C11 | O12 | 117.7° | 120.0° |
| C3 | C11 | O13 | 116.5° | 120.0° |
| C5 | C4 | H4 | 107.1° | 109.4° |
| C5 | C4 | H4A | 107.1° | 109.5° |
| C4 | C5 | C6 | 116.6° | 120.0° |
| C4 | C5 | C10 | 124.7° | 120.0° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| C6 | C5 | C10 | 118.6° | 120.0° |
| C5 | C6 | C7 | 122.1° | 120.0° |
| C5 | C6 | H6 | 118.9° | 120.0° |
| C5 | C10 | C9 | 119.4° | 120.0° |
| C5 | C10 | H10 | 120.3° | 120.0° |
| C7 | C6 | H6 | 119.0° | 120.0° |
| C6 | C7 | C8 | 119.1° | 120.0° |
| C6 | C7 | H7 | 120.5° | 120.0° |
| C8 | C7 | H7 | 120.4° | 120.0° |
| C7 | C8 | C9 | 118.9° | 120.0° |
| C7 | C8 | H8 | 120.6° | 120.0° |
| C9 | C8 | H8 | 120.6° | 120.0° |
| C8 | C9 | C10 | 121.9° | 120.0° |
| C8 | C9 | H9 | 119.0° | 120.0° |
| C10 | C9 | H9 | 119.1° | 120.0° |
| C9 | C10 | H10 | 120.3° | 120.0° |
| O12 | C11 | O13 | 125.7° | 120.0° |
| C11 | O13 | HO13 | 109.5° | 117.0° |
| C43 | C15 | C16 | 108.7° | 109.5° |
| C43 | C15 | H15 | 108.7° | 109.5° |
| C15 | C43 | H43 | 109.5° | 109.5° |
| C15 | C43 | H43A | 109.5° | 109.5° |
| C15 | C43 | H43B | 109.5° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.4° |
| C15 | C16 | O42 | 120.8° | 120.0° |
| C15 | C16 | N17 | 114.6° | 120.0° |
| O42 | C16 | N17 | 124.5° | 120.0° |
| C16 | N17 | C18 | 125.9° | 120.0° |
| C16 | N17 | HN17 | 117.1° | 120.0° |
| C18 | N17 | HN17 | 117.1° | 120.0° |
| N17 | C18 | C39 | 101.5° | 109.4° |
| N17 | C18 | C19 | 107.9° | 109.5° |
| N17 | C18 | H18 | 113.3° | 109.4° |
| C39 | C18 | C19 | 108.0° | 109.5° |
| C39 | C18 | H18 | 113.0° | 109.4° |
| C18 | C39 | O41 | 101.0° | 109.4° |
| C18 | C39 | C40 | 110.4° | 109.5° |
| C18 | C39 | H39 | 112.4° | 109.5° |
| C19 | C18 | H18 | 112.4° | 109.5° |
| C18 | C19 | O38 | 119.7° | 120.0° |
| C18 | C19 | N20 | 117.6° | 120.0° |
| O38 | C19 | N20 | 122.7° | 120.0° |
| C19 | N20 | C21 | 122.5° | 120.0° |
| C19 | N20 | HN20 | 118.8° | 120.0° |
| C21 | N20 | HN20 | 118.7° | 120.1° |
| N20 | C21 | C35 | 113.7° | 109.5° |
| N20 | C21 | C22 | 111.2° | 109.5° |
| N20 | C21 | H21 | 109.4° | 109.4° |
| C35 | C21 | C22 | 104.9° | 109.5° |
| C35 | C21 | H21 | 108.5° | 109.4° |
| C21 | C35 | C37 | 113.8° | 109.4° |
| C21 | C35 | O36 | 109.9° | 109.5° |
| C21 | C35 | H35 | 107.9° | 109.4° |
| C22 | C21 | H21 | 108.9° | 109.5° |
| C21 | C22 | O34 | 121.4° | 120.0° |
| C21 | C22 | N23 | 113.0° | 120.0° |
| O34 | C22 | N23 | 125.4° | 120.0° |
| C22 | N23 | C24 | 125.5° | 120.0° |
| C22 | N23 | HN23 | 117.3° | 120.1° |
| C24 | N23 | HN23 | 117.3° | 119.9° |
| N23 | C24 | C30 | 102.1° | 109.5° |
| N23 | C24 | C25 | 113.4° | 109.5° |
| N23 | C24 | H24 | 110.6° | 109.4° |
| C30 | C24 | C25 | 111.4° | 109.5° |
| C30 | C24 | H24 | 109.8° | 109.5° |
| C24 | C30 | C31 | 113.0° | 109.5° |
| C24 | C30 | H30 | 108.6° | 109.5° |
| C24 | C30 | H30A | 108.6° | 109.5° |
| C25 | C24 | H24 | 109.3° | 109.4° |
| C24 | C25 | O29 | 110.9° | 109.4° |
| C24 | C25 | C26 | 113.6° | 109.5° |
| C24 | C25 | H25 | 106.6° | 109.5° |
| O29 | C25 | C26 | 109.7° | 109.5° |
| O29 | C25 | H25 | 109.0° | 109.5° |
| C25 | O29 | HO29 | 109.5° | 114.0° |
| C26 | C25 | H25 | 106.8° | 109.5° |
| C25 | C26 | C27 | 108.4° | 109.5° |
| C25 | C26 | H26 | 109.7° | 109.4° |
| C25 | C26 | H26A | 109.7° | 109.5° |
| C27 | C26 | H26 | 109.7° | 109.5° |
| C27 | C26 | H26A | 109.8° | 109.5° |
| C26 | C27 | O28 | 105.5° | 109.5° |
| C26 | C27 | H27 | 110.4° | 109.5° |
| C26 | C27 | H27A | 110.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| O28 | C27 | H27 | 110.5° | 109.4° |
| O28 | C27 | H27A | 110.5° | 109.5° |
| C27 | O28 | HO28 | 109.5° | 113.9° |
| H27 | C27 | H27A | 109.5° | 109.4° |
| C31 | C30 | H30 | 108.6° | 109.5° |
| C31 | C30 | H30A | 108.6° | 109.5° |
| C30 | C31 | C32 | 110.8° | 109.5° |
| C30 | C31 | C33 | 107.8° | 109.5° |
| C30 | C31 | H31 | 109.9° | 109.5° |
| H30 | C30 | H30A | 109.4° | 109.4° |
| C32 | C31 | C33 | 107.8° | 109.5° |
| C32 | C31 | H31 | 110.2° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.4° | 109.5° |
| C33 | C31 | H31 | 110.2° | 109.4° |
| C31 | C33 | H33 | 109.5° | 109.4° |
| C31 | C33 | H33A | 109.5° | 109.4° |
| C31 | C33 | H33B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.4° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H33 | C33 | H33A | 109.4° | 109.5° |
| H33 | C33 | H33B | 109.4° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| C37 | C35 | O36 | 107.6° | 109.5° |
| C37 | C35 | H35 | 108.1° | 109.4° |
| C35 | C37 | H37 | 109.5° | 109.5° |
| C35 | C37 | H37A | 109.5° | 109.4° |
| C35 | C37 | H37B | 109.5° | 109.4° |
| O36 | C35 | H35 | 109.4° | 109.5° |
| C35 | O36 | HO36 | 109.5° | 114.0° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.4° | 109.4° |
| O41 | C39 | C40 | 106.8° | 109.5° |
| O41 | C39 | H39 | 113.8° | 109.4° |
| C39 | O41 | HO41 | 109.5° | 114.0° |
| C40 | C39 | H39 | 111.9° | 109.5° |
| C39 | C40 | H40 | 109.5° | 109.5° |
| C39 | C40 | H40A | 109.5° | 109.4° |
| C39 | C40 | H40B | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.4° |
| H40 | C40 | H40B | 109.5° | 109.5° |
| H40A | C40 | H40B | 109.5° | 109.5° |
| H43 | C43 | H43A | 109.5° | 109.4° |
| H43 | C43 | H43B | 109.5° | 109.5° |
| H43A | C43 | H43B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C1 | N2 | C15 | 177.7° | 179.8° |
| O14 | C1 | N2 | C3 | 1.8° | 0.3° |
| O14 | C1 | N2 | HN2 | 178.2° | 179.7° |
| O14 | C1 | C15 | C43 | 3.1° | 120.2° |
| O14 | C1 | C15 | C16 | 123.9° | 0.2° |
| O14 | C1 | C15 | H15 | 115.0° | 119.7° |
| C1 | N2 | C3 | HN2 | 180.0° | 180.0° |
| C1 | N2 | C3 | C4 | 151.3° | 155.0° |
| C1 | N2 | C3 | C11 | 80.3° | 85.0° |
| C1 | N2 | C3 | H3 | 35.4° | 35.0° |
| N2 | C1 | C15 | C43 | 179.2° | 60.0° |
| N2 | C1 | C15 | C16 | 58.4° | 180.0° |
| N2 | C1 | C15 | H15 | 62.7° | 60.1° |
| C15 | C1 | N2 | C3 | 175.9° | 180.0° |
| C15 | C1 | N2 | HN2 | 4.1° | 0.0° |
| C1 | C15 | C43 | C16 | 123.7° | 120.0° |
| C1 | C15 | C43 | H15 | 118.0° | 120.1° |
| C1 | C15 | C16 | H15 | 121.0° | 120.0° |
| C1 | C15 | C16 | O42 | 14.6° | 0.0° |
| C1 | C15 | C16 | N17 | 168.6° | 180.0° |
| C1 | C15 | C43 | H43 | 180.0° | 180.0° |
| C1 | C15 | C43 | H43A | 60.0° | 60.1° |
| C1 | C15 | C43 | H43B | 60.0° | 59.9° |
| N2 | C3 | C4 | C11 | 128.8° | 120.0° |
| N2 | C3 | C4 | H3 | 116.4° | 120.0° |
| N2 | C3 | C11 | H3 | 116.2° | 120.0° |
| N2 | C3 | C4 | C5 | 35.2° | 65.0° |
| N2 | C3 | C4 | H4 | 156.6° | 55.0° |
| N2 | C3 | C4 | H4A | 86.2° | 175.0° |
| N2 | C3 | C11 | O12 | 130.6° | 0.0° |
| N2 | C3 | C11 | O13 | 52.7° | 179.9° |
| HN2 | N2 | C3 | C4 | 28.7° | 25.0° |
| HN2 | N2 | C3 | C11 | 99.7° | 95.0° |
| HN2 | N2 | C3 | H3 | 144.6° | 145.0° |
| C4 | C3 | C11 | H3 | 114.8° | 120.0° |
| C3 | C4 | C5 | H4 | 121.3° | 120.0° |
| C3 | C4 | C5 | H4A | 121.4° | 120.0° |
| C3 | C4 | H4 | H4A | 115.7° | 120.0° |
| C3 | C4 | C5 | C6 | 139.6° | 89.8° |
| C3 | C4 | C5 | C10 | 43.3° | 90.0° |
| C4 | C3 | C11 | O12 | 1.6° | 120.1° |
| C4 | C3 | C11 | O13 | 178.3° | 60.0° |
| C11 | C3 | C4 | C5 | 93.6° | 175.0° |
| C11 | C3 | C4 | H4 | 27.7° | 65.0° |
| C11 | C3 | C4 | H4A | 145.0° | 55.0° |
| C3 | C11 | O12 | O13 | 176.3° | 179.9° |
| C3 | C11 | O13 | HO13 | 176.3° | 180.0° |
| H3 | C3 | C4 | C5 | 151.6° | 55.1° |
| H3 | C3 | C4 | H4 | 87.1° | 175.0° |
| H3 | C3 | C4 | H4A | 30.2° | 65.0° |
| H3 | C3 | C11 | O12 | 113.2° | 120.0° |
| H3 | C3 | C11 | O13 | 63.5° | 60.0° |
| C5 | C4 | H4 | H4A | 115.7° | 120.0° |
| C4 | C5 | C6 | C10 | 177.3° | 179.8° |
| C4 | C5 | C6 | C7 | 178.8° | 180.0° |
| C4 | C5 | C6 | H6 | 1.2° | 0.0° |
| C4 | C5 | C10 | C9 | 178.6° | 179.8° |
| C4 | C5 | C10 | H10 | 1.4° | 0.1° |
| H4 | C4 | C5 | C6 | 18.2° | 150.3° |
| H4 | C4 | C5 | C10 | 164.7° | 30.0° |
| H4A | C4 | C5 | C6 | 99.1° | 30.3° |
| H4A | C4 | C5 | C10 | 78.0° | 150.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.9° | 0.1° |
| C5 | C6 | C7 | H7 | 179.1° | 180.0° |
| C6 | C5 | C10 | C9 | 1.5° | 0.4° |
| C6 | C5 | C10 | H10 | 178.5° | 179.7° |
| C10 | C5 | C6 | C7 | 1.5° | 0.3° |
| C10 | C5 | C6 | H6 | 178.5° | 179.8° |
| C5 | C10 | C9 | C8 | 1.0° | 0.4° |
| C5 | C10 | C9 | H10 | 180.0° | 179.9° |
| C5 | C10 | C9 | H9 | 179.0° | 179.8° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.4° | 0.0° |
| C6 | C7 | C8 | H8 | 179.6° | 180.0° |
| H6 | C6 | C7 | C8 | 179.1° | 180.0° |
| H6 | C6 | C7 | H7 | 0.9° | 0.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.5° | 0.2° |
| C7 | C8 | C9 | H9 | 179.5° | 180.0° |
| H7 | C7 | C8 | C9 | 179.6° | 180.0° |
| H7 | C7 | C8 | H8 | 0.4° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | H10 | 179.0° | 179.7° |
| H8 | C8 | C9 | C10 | 179.5° | 179.8° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| H9 | C9 | C10 | H10 | 1.0° | 0.1° |
| O12 | C11 | O13 | HO13 | 0.0° | 0.1° |
| C43 | C15 | C16 | H15 | 118.3° | 120.0° |
| C43 | C15 | C16 | O42 | 106.2° | 120.0° |
| C43 | C15 | C16 | N17 | 70.7° | 60.0° |
| C15 | C43 | H43 | H43A | 120.0° | 120.0° |
| C15 | C43 | H43 | H43B | 120.0° | 120.1° |
| C15 | C43 | H43A | H43B | 120.0° | 120.0° |
| C15 | C16 | O42 | N17 | 176.5° | 180.0° |
| C15 | C16 | N17 | C18 | 177.1° | 180.0° |
| C15 | C16 | N17 | HN17 | 3.0° | 0.0° |
| C16 | C15 | C43 | H43 | 56.3° | 60.1° |
| C16 | C15 | C43 | H43A | 176.4° | 180.0° |
| C16 | C15 | C43 | H43B | 63.7° | 60.0° |
| H15 | C15 | C16 | O42 | 135.5° | 120.0° |
| H15 | C15 | C16 | N17 | 47.6° | 60.0° |
| H15 | C15 | C43 | H43 | 62.0° | 59.9° |
| H15 | C15 | C43 | H43A | 58.0° | 60.0° |
| H15 | C15 | C43 | H43B | 178.0° | 180.0° |
| O42 | C16 | N17 | C18 | 0.3° | 0.0° |
| O42 | C16 | N17 | HN17 | 179.7° | 180.0° |
| C16 | N17 | C18 | HN17 | 180.0° | 180.0° |
| C16 | N17 | C18 | C39 | 136.6° | 85.0° |
| C16 | N17 | C18 | C19 | 109.9° | 155.0° |
| C16 | N17 | C18 | H18 | 15.3° | 34.9° |
| N17 | C18 | C39 | C19 | 113.4° | 120.0° |
| N17 | C18 | C39 | H18 | 121.6° | 119.9° |
| N17 | C18 | C19 | H18 | 125.7° | 120.0° |
| N17 | C18 | C19 | O38 | 49.0° | 0.0° |
| N17 | C18 | C19 | N20 | 130.9° | 180.0° |
| N17 | C18 | C39 | O41 | 2.0° | 65.0° |
| N17 | C18 | C39 | C40 | 114.7° | 55.0° |
| N17 | C18 | C39 | H39 | 119.6° | 175.0° |
| HN17 | N17 | C18 | C39 | 43.3° | 95.0° |
| HN17 | N17 | C18 | C19 | 70.1° | 25.0° |
| HN17 | N17 | C18 | H18 | 164.7° | 145.1° |
| C39 | C18 | C19 | H18 | 125.3° | 120.0° |
| C39 | C18 | C19 | O38 | 60.0° | 120.0° |
| C39 | C18 | C19 | N20 | 120.1° | 60.0° |
| C18 | C39 | O41 | C40 | 115.4° | 120.0° |
| C18 | C39 | O41 | H39 | 120.6° | 120.0° |
| C18 | C39 | C40 | H39 | 125.9° | 120.1° |
| C18 | C39 | C40 | H40 | 180.0° | 60.0° |
| C18 | C39 | C40 | H40A | 60.0° | 180.0° |
| C18 | C39 | C40 | H40B | 60.0° | 60.0° |
| C18 | C39 | O41 | HO41 | 180.0° | 60.0° |
| C18 | C19 | O38 | N20 | 179.9° | 179.9° |
| C18 | C19 | N20 | C21 | 177.8° | 180.0° |
| C18 | C19 | N20 | HN20 | 2.2° | 0.1° |
| C19 | C18 | C39 | O41 | 115.4° | 55.0° |
| C19 | C18 | C39 | C40 | 131.9° | 175.0° |
| C19 | C18 | C39 | H39 | 6.3° | 64.9° |
| H18 | C18 | C19 | O38 | 174.7° | 120.0° |
| H18 | C18 | C19 | N20 | 5.2° | 60.0° |
| H18 | C18 | C39 | O41 | 119.6° | 175.0° |
| H18 | C18 | C39 | C40 | 6.9° | 65.0° |
| H18 | C18 | C39 | H39 | 118.7° | 55.1° |
| O38 | C19 | N20 | C21 | 2.2° | 0.1° |
| O38 | C19 | N20 | HN20 | 177.8° | 180.0° |
| C19 | N20 | C21 | HN20 | 180.0° | 179.9° |
| C19 | N20 | C21 | C35 | 142.2° | 85.0° |
| C19 | N20 | C21 | C22 | 99.6° | 155.0° |
| C19 | N20 | C21 | H21 | 20.7° | 35.0° |
| N20 | C21 | C35 | C22 | 121.8° | 120.0° |
| N20 | C21 | C35 | H21 | 122.0° | 120.0° |
| N20 | C21 | C22 | H21 | 120.6° | 120.0° |
| N20 | C21 | C22 | O34 | 18.5° | 15.7° |
| N20 | C21 | C22 | N23 | 166.4° | 164.4° |
| N20 | C21 | C35 | C37 | 1.8° | 64.9° |
| N20 | C21 | C35 | O36 | 119.0° | 175.1° |
| N20 | C21 | C35 | H35 | 121.7° | 55.1° |
| HN20 | N20 | C21 | C35 | 37.8° | 95.0° |
| HN20 | N20 | C21 | C22 | 80.4° | 25.1° |
| HN20 | N20 | C21 | H21 | 159.3° | 145.1° |
| C35 | C21 | C22 | H21 | 116.0° | 120.0° |
| C35 | C21 | C22 | O34 | 104.9° | 104.4° |
| C35 | C21 | C22 | N23 | 70.2° | 75.5° |
| C21 | C35 | C37 | O36 | 122.1° | 120.0° |
| C21 | C35 | C37 | H35 | 119.9° | 119.9° |
| C21 | C35 | O36 | H35 | 118.4° | 120.0° |
| C21 | C35 | O36 | HO36 | 180.0° | 65.1° |
| C21 | C35 | C37 | H37 | 180.0° | 60.0° |
| C21 | C35 | C37 | H37A | 60.0° | 180.0° |
| C21 | C35 | C37 | H37B | 60.0° | 60.1° |
| C21 | C22 | O34 | N23 | 174.5° | 179.9° |
| C21 | C22 | N23 | C24 | 177.9° | 174.4° |
| C21 | C22 | N23 | HN23 | 2.1° | 5.6° |
| C22 | C21 | C35 | C37 | 120.0° | 175.1° |
| C22 | C21 | C35 | O36 | 119.2° | 55.1° |
| C22 | C21 | C35 | H35 | 0.1° | 64.9° |
| H21 | C21 | C22 | O34 | 139.0° | 135.6° |
| H21 | C21 | C22 | N23 | 45.8° | 44.4° |
| H21 | C21 | C35 | C37 | 123.7° | 55.1° |
| H21 | C21 | C35 | O36 | 3.0° | 65.0° |
| H21 | C21 | C35 | H35 | 116.3° | 175.0° |
| O34 | C22 | N23 | C24 | 7.3° | 5.7° |
| O34 | C22 | N23 | HN23 | 172.7° | 174.3° |
| C22 | N23 | C24 | HN23 | 180.0° | 179.9° |
| C22 | N23 | C24 | C30 | 111.0° | 84.9° |
| C22 | N23 | C24 | C25 | 129.1° | 155.0° |
| C22 | N23 | C24 | H24 | 5.8° | 35.1° |
| N23 | C24 | C30 | C25 | 121.4° | 120.1° |
| N23 | C24 | C30 | H24 | 117.4° | 119.9° |
| N23 | C24 | C25 | H24 | 124.0° | 119.9° |
| N23 | C24 | C25 | O29 | 40.0° | 60.0° |
| N23 | C24 | C25 | C26 | 84.1° | 59.9° |
| N23 | C24 | C25 | H25 | 158.5° | 180.0° |
| N23 | C24 | C30 | C31 | 109.5° | 65.0° |
| N23 | C24 | C30 | H30 | 11.0° | 55.0° |
| N23 | C24 | C30 | H30A | 129.9° | 175.0° |
| HN23 | N23 | C24 | C30 | 69.0° | 95.0° |
| HN23 | N23 | C24 | C25 | 50.9° | 25.1° |
| HN23 | N23 | C24 | H24 | 174.2° | 145.0° |
| C30 | C24 | C25 | H24 | 121.5° | 120.0° |
| C30 | C24 | C25 | O29 | 74.5° | 60.0° |
| C30 | C24 | C25 | C26 | 161.4° | 180.0° |
| C30 | C24 | C25 | H25 | 44.0° | 60.0° |
| C24 | C30 | C31 | H30 | 120.5° | 120.0° |
| C24 | C30 | C31 | H30A | 120.6° | 120.0° |
| C24 | C30 | H30 | H30A | 118.4° | 120.0° |
| C24 | C30 | C31 | C32 | 45.7° | 175.0° |
| C24 | C30 | C31 | C33 | 163.4° | 65.0° |
| C24 | C30 | C31 | H31 | 76.4° | 55.0° |
| C24 | C25 | O29 | C26 | 126.3° | 120.0° |
| C24 | C25 | O29 | H25 | 117.1° | 120.0° |
| C24 | C25 | C26 | H25 | 117.3° | 120.0° |
| C24 | C25 | C26 | C27 | 77.0° | 175.1° |
| C24 | C25 | C26 | H26 | 42.8° | 64.9° |
| C24 | C25 | C26 | H26A | 163.1° | 55.0° |
| C24 | C25 | O29 | HO29 | 180.0° | 60.0° |
| C25 | C24 | C30 | C31 | 129.1° | 175.0° |
| C25 | C24 | C30 | H30 | 110.3° | 65.0° |
| C25 | C24 | C30 | H30A | 8.6° | 55.0° |
| H24 | C24 | C25 | O29 | 164.0° | 179.9° |
| H24 | C24 | C25 | C26 | 39.9° | 60.0° |
| H24 | C24 | C25 | H25 | 77.5° | 60.1° |
| H24 | C24 | C30 | C31 | 7.9° | 55.0° |
| H24 | C24 | C30 | H30 | 128.4° | 175.0° |
| H24 | C24 | C30 | H30A | 112.7° | 65.0° |
| O29 | C25 | C26 | H25 | 117.9° | 120.0° |
| O29 | C25 | C26 | C27 | 47.7° | 65.0° |
| O29 | C25 | C26 | H26 | 167.6° | 55.0° |
| O29 | C25 | C26 | H26A | 72.1° | 174.9° |
| C25 | C26 | C27 | H26 | 119.8° | 120.0° |
| C25 | C26 | C27 | H26A | 119.8° | 120.0° |
| C25 | C26 | H26 | H26A | 120.5° | 119.9° |
| C25 | C26 | C27 | O28 | 121.2° | 180.0° |
| C25 | C26 | C27 | H27 | 1.9° | 60.0° |
| C25 | C26 | C27 | H27A | 119.4° | 60.0° |
| C26 | C25 | O29 | HO29 | 53.7° | 60.0° |
| H25 | C25 | C26 | C27 | 165.7° | 55.0° |
| H25 | C25 | C26 | H26 | 74.5° | 175.0° |
| H25 | C25 | C26 | H26A | 45.8° | 65.1° |
| H25 | C25 | O29 | HO29 | 62.9° | 180.0° |
| C27 | C26 | H26 | H26A | 120.5° | 120.1° |
| C26 | C27 | O28 | H27 | 119.3° | 120.0° |
| C26 | C27 | O28 | H27A | 119.4° | 120.1° |
| C26 | C27 | H27 | H27A | 121.8° | 120.1° |
| C26 | C27 | O28 | HO28 | 180.0° | 180.0° |
| H26 | C26 | C27 | O28 | 118.9° | 60.1° |
| H26 | C26 | C27 | H27 | 121.7° | 180.0° |
| H26 | C26 | C27 | H27A | 0.5° | 60.0° |
| H26A | C26 | C27 | O28 | 1.4° | 59.9° |
| H26A | C26 | C27 | H27 | 118.0° | 60.0° |
| H26A | C26 | C27 | H27A | 120.8° | 180.0° |
| O28 | C27 | H27 | H27A | 121.9° | 120.0° |
| H27 | C27 | O28 | HO28 | 60.6° | 60.0° |
| H27A | C27 | O28 | HO28 | 60.6° | 59.9° |
| C31 | C30 | H30 | H30A | 118.4° | 119.9° |
| C30 | C31 | C32 | C33 | 117.7° | 120.0° |
| C30 | C31 | C32 | H31 | 121.9° | 120.0° |
| C30 | C31 | C33 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H32 | 180.0° | 60.0° |
| C30 | C31 | C32 | H32A | 60.0° | 180.0° |
| C30 | C31 | C32 | H32B | 60.0° | 60.0° |
| C30 | C31 | C33 | H33 | 180.0° | 60.0° |
| C30 | C31 | C33 | H33A | 60.0° | 180.0° |
| C30 | C31 | C33 | H33B | 60.0° | 60.0° |
| H30 | C30 | C31 | C32 | 74.8° | 55.0° |
| H30 | C30 | C31 | C33 | 42.9° | 175.0° |
| H30 | C30 | C31 | H31 | 163.1° | 65.0° |
| H30A | C30 | C31 | C32 | 166.2° | 65.0° |
| H30A | C30 | C31 | C33 | 76.0° | 55.0° |
| H30A | C30 | C31 | H31 | 44.2° | 175.0° |
| C32 | C31 | C33 | H31 | 120.4° | 120.0° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C31 | C33 | H33 | 60.4° | 179.9° |
| C32 | C31 | C33 | H33A | 59.6° | 60.0° |
| C32 | C31 | C33 | H33B | 179.6° | 60.0° |
| C33 | C31 | C32 | H32 | 62.3° | 60.0° |
| C33 | C31 | C32 | H32A | 177.7° | 60.0° |
| C33 | C31 | C32 | H32B | 57.7° | 180.0° |
| C31 | C33 | H33 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33B | 120.0° | 120.0° |
| C31 | C33 | H33A | H33B | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 58.1° | 180.0° |
| H31 | C31 | C32 | H32A | 61.9° | 59.9° |
| H31 | C31 | C32 | H32B | 178.1° | 60.0° |
| H31 | C31 | C33 | H33 | 60.0° | 60.0° |
| H31 | C31 | C33 | H33A | 180.0° | 60.0° |
| H31 | C31 | C33 | H33B | 60.0° | 180.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H33 | C33 | H33A | H33B | 119.9° | 120.1° |
| C37 | C35 | O36 | H35 | 117.2° | 120.0° |
| C37 | C35 | O36 | HO36 | 55.6° | 174.9° |
| C35 | C37 | H37 | H37A | 120.0° | 120.0° |
| C35 | C37 | H37 | H37B | 120.0° | 120.0° |
| C35 | C37 | H37A | H37B | 120.0° | 119.9° |
| O36 | C35 | C37 | H37 | 57.9° | 180.0° |
| O36 | C35 | C37 | H37A | 62.1° | 60.0° |
| O36 | C35 | C37 | H37B | 177.9° | 59.9° |
| H35 | C35 | O36 | HO36 | 61.6° | 54.8° |
| H35 | C35 | C37 | H37 | 60.1° | 60.0° |
| H35 | C35 | C37 | H37A | 179.9° | 60.1° |
| H35 | C35 | C37 | H37B | 59.9° | 180.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| O41 | C39 | C40 | H39 | 125.2° | 120.0° |
| O41 | C39 | C40 | H40 | 71.1° | 59.9° |
| O41 | C39 | C40 | H40A | 168.9° | 60.0° |
| O41 | C39 | C40 | H40B | 48.9° | 180.0° |
| C39 | C40 | H40 | H40A | 120.0° | 119.9° |
| C39 | C40 | H40 | H40B | 120.0° | 120.1° |
| C39 | C40 | H40A | H40B | 120.0° | 120.0° |
| C40 | C39 | O41 | HO41 | 64.6° | 60.0° |
| H39 | C39 | C40 | H40 | 54.1° | 179.9° |
| H39 | C39 | C40 | H40A | 65.9° | 60.0° |
| H39 | C39 | C40 | H40B | 174.1° | 60.0° |
| H39 | C39 | O41 | HO41 | 59.4° | 180.0° |
| H40 | C40 | H40A | H40B | 120.0° | 120.0° |
| H43 | C43 | H43A | H43B | 120.0° | 120.0° |
