0NR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N42 | C39 | sing | 1.47Å | 1.42Å | |
| C41 | C39 | sing | 1.53Å | 1.58Å | |
| C41 | C33 | sing | 1.53Å | 1.57Å | |
| C38 | C39 | sing | 1.53Å | 1.57Å | |
| C38 | C35 | sing | 1.53Å | 1.57Å | |
| C39 | C40 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.53Å | 1.58Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C33 | C32 | sing | 1.53Å | 1.58Å | |
| C35 | C36 | sing | 1.53Å | 1.57Å | |
| C40 | C37 | sing | 1.53Å | 1.57Å | |
| C32 | C37 | sing | 1.53Å | 1.58Å | |
| C32 | N31 | sing | 1.46Å | 1.47Å | |
| C36 | C37 | sing | 1.53Å | 1.57Å | |
| N31 | C29 | sing | 1.35Å | 1.39Å | |
| C29 | O30 | doub | 1.21Å | 1.24Å | |
| C29 | C26 | sing | 1.48Å | 1.49Å | |
| C26 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C24 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | C12 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| O14 | C13 | doub | 1.22Å | 1.24Å | |
| C13 | C10 | sing | 1.42Å | 1.52Å | |
| C13 | C1 | sing | 1.47Å | 1.50Å | |
| C10 | C9 | doub | 1.36Å | 1.39Å | |
| C2 | C1 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | C20 | sing | 1.48Å | 1.51Å | |
| C9 | N7 | sing | 1.37Å | 1.45Å | |
| O22 | C20 | sing | 1.35Å | 1.37Å | |
| O22 | C23 | sing | 1.45Å | 1.44Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N7 | sing | 1.37Å | 1.45Å | |
| C6 | N5 | doub | 1.33Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.40Å | 1.46Å | |
| C4 | N5 | sing | 1.32Å | 1.38Å | Aromatic |
| C8 | C15 | doub | 1.39Å | 1.44Å | Aromatic |
| C8 | C19 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N31 | H18 | sing | 0.97Å | 1.00Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C41 | H32 | sing | 1.09Å | 1.10Å | |
| N42 | H33 | sing | 1.01Å | 1.00Å | |
| N42 | H34 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N42 | C39 | C41 | 109.2° | 109.4° |
| N42 | C39 | C38 | 109.8° | 109.5° |
| N42 | C39 | C40 | 110.2° | 109.5° |
| C39 | N42 | H33 | 109.5° | 111.0° |
| C39 | N42 | H34 | 109.4° | 111.0° |
| C39 | C41 | C33 | 110.1° | 109.5° |
| C41 | C39 | C38 | 109.6° | 109.5° |
| C41 | C39 | C40 | 109.2° | 109.5° |
| C39 | C41 | H31 | 109.3° | 109.5° |
| C39 | C41 | H32 | 109.3° | 109.5° |
| C41 | C33 | C34 | 108.5° | 109.4° |
| C41 | C33 | C32 | 108.7° | 109.5° |
| C41 | C33 | H20 | 109.7° | 109.5° |
| C33 | C41 | H31 | 109.3° | 109.5° |
| C33 | C41 | H32 | 109.3° | 109.4° |
| C39 | C38 | C35 | 109.8° | 109.5° |
| C38 | C39 | C40 | 108.9° | 109.5° |
| C39 | C38 | H27 | 109.3° | 109.5° |
| C39 | C38 | H28 | 109.4° | 109.5° |
| C38 | C35 | C34 | 109.2° | 109.5° |
| C38 | C35 | C36 | 109.1° | 109.5° |
| C38 | C35 | H23 | 109.8° | 109.5° |
| C35 | C38 | H27 | 109.4° | 109.4° |
| C35 | C38 | H28 | 109.4° | 109.5° |
| C39 | C40 | C37 | 110.1° | 109.5° |
| C39 | C40 | H29 | 109.3° | 109.5° |
| C39 | C40 | H30 | 109.3° | 109.5° |
| C33 | C34 | C35 | 109.9° | 109.5° |
| C34 | C33 | C32 | 110.7° | 109.5° |
| C34 | C33 | H20 | 109.7° | 109.5° |
| C33 | C34 | H21 | 109.4° | 109.4° |
| C33 | C34 | H22 | 109.4° | 109.5° |
| C34 | C35 | C36 | 109.1° | 109.5° |
| C35 | C34 | H21 | 109.3° | 109.5° |
| C35 | C34 | H22 | 109.4° | 109.5° |
| C34 | C35 | H23 | 109.8° | 109.5° |
| C33 | C32 | C37 | 109.0° | 109.5° |
| C33 | C32 | N31 | 112.6° | 109.5° |
| C33 | C32 | H19 | 107.4° | 109.5° |
| C32 | C33 | H20 | 109.6° | 109.5° |
| C35 | C36 | C37 | 110.8° | 109.5° |
| C36 | C35 | H23 | 109.8° | 109.5° |
| C35 | C36 | H24 | 109.1° | 109.5° |
| C35 | C36 | H25 | 109.1° | 109.5° |
| C40 | C37 | C32 | 109.1° | 109.5° |
| C40 | C37 | C36 | 109.2° | 109.5° |
| C40 | C37 | H26 | 109.7° | 109.5° |
| C37 | C40 | H29 | 109.3° | 109.5° |
| C37 | C40 | H30 | 109.3° | 109.5° |
| C37 | C32 | N31 | 111.2° | 109.5° |
| C32 | C37 | C36 | 109.5° | 109.5° |
| C37 | C32 | H19 | 107.5° | 109.5° |
| C32 | C37 | H26 | 109.6° | 109.5° |
| C32 | N31 | C29 | 122.3° | 120.0° |
| C32 | N31 | H18 | 118.8° | 120.0° |
| N31 | C32 | H19 | 108.9° | 109.4° |
| C37 | C36 | H24 | 109.2° | 109.5° |
| C37 | C36 | H25 | 109.2° | 109.5° |
| C36 | C37 | H26 | 109.7° | 109.5° |
| N31 | C29 | O30 | 124.2° | 120.0° |
| N31 | C29 | C26 | 116.6° | 120.0° |
| C29 | N31 | H18 | 118.8° | 120.0° |
| O30 | C29 | C26 | 119.2° | 120.0° |
| C29 | C26 | C25 | 121.5° | 120.1° |
| C29 | C26 | C27 | 119.0° | 120.2° |
| C25 | C26 | C27 | 119.5° | 119.7° |
| C26 | C25 | C24 | 120.2° | 119.9° |
| C26 | C25 | H15 | 119.9° | 120.1° |
| C26 | C27 | C28 | 120.0° | 119.9° |
| C26 | C27 | H16 | 120.0° | 120.1° |
| C25 | C24 | C12 | 121.3° | 120.1° |
| C25 | C24 | H14 | 119.3° | 119.9° |
| C24 | C25 | H15 | 119.9° | 120.0° |
| C27 | C28 | C12 | 120.4° | 120.1° |
| C28 | C27 | H16 | 120.0° | 120.1° |
| C27 | C28 | H17 | 119.8° | 119.9° |
| C24 | C12 | C28 | 118.6° | 120.3° |
| C24 | C12 | C11 | 120.2° | 119.9° |
| C12 | C24 | H14 | 119.4° | 120.0° |
| C28 | C12 | C11 | 121.2° | 119.8° |
| C12 | C28 | H17 | 119.8° | 119.9° |
| C12 | C11 | C10 | 108.7° | 109.4° |
| C12 | C11 | H4 | 109.7° | 109.4° |
| C12 | C11 | H5 | 109.6° | 109.4° |
| C11 | C10 | C13 | 115.7° | 120.1° |
| C11 | C10 | C9 | 128.8° | 120.1° |
| C10 | C11 | H4 | 109.6° | 109.5° |
| C10 | C11 | H5 | 109.6° | 109.5° |
| O14 | C13 | C10 | 121.0° | 121.1° |
| O14 | C13 | C1 | 119.4° | 121.1° |
| C10 | C13 | C1 | 119.6° | 117.8° |
| C13 | C10 | C9 | 115.6° | 119.8° |
| C13 | C1 | C2 | 120.9° | 121.5° |
| C13 | C1 | C6 | 120.2° | 118.9° |
| C10 | C9 | C20 | 115.8° | 118.8° |
| C10 | C9 | N7 | 125.5° | 122.4° |
| C1 | C2 | C3 | 120.7° | 118.0° |
| C2 | C1 | C6 | 118.9° | 119.5° |
| C1 | C2 | H1 | 119.7° | 121.0° |
| C2 | C3 | C4 | 117.3° | 119.4° |
| C3 | C2 | H1 | 119.6° | 121.0° |
| C2 | C3 | H2 | 121.4° | 120.3° |
| C1 | C6 | N7 | 119.9° | 119.3° |
| C1 | C6 | N5 | 119.7° | 119.8° |
| C20 | C9 | N7 | 118.7° | 118.8° |
| C9 | C20 | O22 | 109.8° | 120.0° |
| C9 | C20 | O21 | 122.4° | 120.0° |
| C9 | N7 | C6 | 119.2° | 121.8° |
| C9 | N7 | C8 | 121.8° | 119.2° |
| C20 | O22 | C23 | 115.1° | 117.0° |
| O22 | C20 | O21 | 127.9° | 120.0° |
| O22 | C23 | H11 | 109.5° | 109.5° |
| O22 | C23 | H12 | 109.5° | 109.5° |
| O22 | C23 | H13 | 109.5° | 109.5° |
| C3 | C4 | N5 | 122.9° | 121.6° |
| C4 | C3 | H2 | 121.3° | 120.3° |
| C3 | C4 | H3 | 118.5° | 119.2° |
| N7 | C6 | N5 | 120.4° | 120.9° |
| C6 | N7 | C8 | 118.9° | 119.1° |
| C6 | N5 | C4 | 120.6° | 121.7° |
| N7 | C8 | C15 | 119.8° | 120.0° |
| N7 | C8 | C19 | 121.8° | 120.1° |
| N5 | C4 | H3 | 118.6° | 119.2° |
| C15 | C8 | C19 | 118.4° | 119.8° |
| C8 | C15 | C16 | 121.0° | 119.9° |
| C8 | C15 | H6 | 119.5° | 120.1° |
| C8 | C19 | C18 | 120.4° | 119.9° |
| C8 | C19 | H10 | 119.8° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.1° |
| C16 | C15 | H6 | 119.5° | 120.0° |
| C15 | C16 | H7 | 120.1° | 119.9° |
| C19 | C18 | C17 | 119.9° | 120.1° |
| C19 | C18 | H9 | 120.0° | 119.9° |
| C18 | C19 | H10 | 119.8° | 120.1° |
| C16 | C17 | C18 | 120.5° | 120.2° |
| C17 | C16 | H7 | 120.1° | 120.0° |
| C16 | C17 | H8 | 119.7° | 119.9° |
| C18 | C17 | H8 | 119.8° | 119.9° |
| C17 | C18 | H9 | 120.1° | 120.0° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H11 | C23 | H12 | 109.4° | 109.5° |
| H11 | C23 | H13 | 109.5° | 109.4° |
| H12 | C23 | H13 | 109.5° | 109.4° |
| H21 | C34 | H22 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.4° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.5° | 109.5° |
| H31 | C41 | H32 | 109.4° | 109.4° |
| H33 | N42 | H34 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N42 | C39 | C41 | C38 | 120.3° | 120.0° |
| N42 | C39 | C41 | C40 | 120.5° | 120.0° |
| N42 | C39 | C41 | C33 | 179.8° | 180.0° |
| N42 | C39 | C38 | C40 | 120.7° | 120.0° |
| N42 | C39 | C38 | C35 | 178.9° | 180.0° |
| N42 | C39 | C40 | C37 | 179.4° | 180.0° |
| N42 | C39 | C38 | H27 | 58.9° | 60.1° |
| N42 | C39 | C38 | H28 | 61.0° | 60.0° |
| N42 | C39 | C40 | H29 | 60.5° | 60.0° |
| N42 | C39 | C40 | H30 | 59.3° | 60.0° |
| N42 | C39 | C41 | H31 | 60.1° | 60.0° |
| N42 | C39 | C41 | H32 | 59.7° | 60.0° |
| C39 | N42 | H33 | H34 | 119.9° | 124.0° |
| C39 | C41 | C33 | H31 | 120.1° | 120.1° |
| C39 | C41 | C33 | H32 | 120.1° | 120.0° |
| C41 | C39 | C38 | C40 | 119.4° | 120.0° |
| C41 | C39 | C38 | C35 | 59.0° | 60.0° |
| C39 | C41 | C33 | C34 | 60.0° | 60.0° |
| C39 | C41 | C33 | C32 | 60.4° | 59.9° |
| C41 | C39 | C40 | C37 | 59.4° | 60.0° |
| C39 | C41 | C33 | H20 | 179.8° | 180.0° |
| C41 | C39 | C38 | H27 | 61.0° | 180.0° |
| C41 | C39 | C38 | H28 | 179.1° | 60.0° |
| C41 | C39 | C40 | H29 | 179.6° | 60.0° |
| C41 | C39 | C40 | H30 | 60.6° | 180.0° |
| C39 | C41 | H31 | H32 | 119.7° | 120.1° |
| C41 | C39 | N42 | H33 | 180.0° | 60.0° |
| C41 | C39 | N42 | H34 | 60.0° | 64.0° |
| C33 | C41 | C39 | C38 | 59.6° | 60.0° |
| C33 | C41 | C39 | C40 | 59.6° | 60.0° |
| C41 | C33 | C34 | C32 | 119.2° | 120.0° |
| C41 | C33 | C34 | H20 | 119.8° | 120.0° |
| C41 | C33 | C34 | C35 | 60.5° | 60.0° |
| C41 | C33 | C32 | H20 | 119.9° | 120.0° |
| C41 | C33 | C32 | C37 | 60.9° | 60.0° |
| C41 | C33 | C32 | N31 | 175.3° | 180.0° |
| C41 | C33 | C32 | H19 | 55.4° | 60.1° |
| C41 | C33 | C34 | H21 | 179.4° | 180.0° |
| C41 | C33 | C34 | H22 | 59.5° | 60.0° |
| C33 | C41 | H31 | H32 | 119.7° | 119.9° |
| C39 | C38 | C35 | H27 | 120.0° | 120.0° |
| C39 | C38 | C35 | H28 | 120.0° | 120.0° |
| C39 | C38 | C35 | C34 | 59.5° | 60.0° |
| C39 | C38 | C35 | C36 | 59.6° | 60.0° |
| C38 | C39 | C40 | C37 | 60.2° | 60.0° |
| C39 | C38 | C35 | H23 | 180.0° | 180.0° |
| C39 | C38 | H27 | H28 | 119.8° | 120.0° |
| C38 | C39 | C40 | H29 | 59.9° | 180.0° |
| C38 | C39 | C40 | H30 | 179.7° | 60.0° |
| C38 | C39 | C41 | H31 | 179.7° | 60.0° |
| C38 | C39 | C41 | H32 | 60.5° | 180.0° |
| C38 | C39 | N42 | H33 | 59.8° | 59.9° |
| C38 | C39 | N42 | H34 | 60.1° | 176.1° |
| C35 | C38 | C39 | C40 | 60.3° | 60.0° |
| C38 | C35 | C34 | C33 | 60.6° | 60.0° |
| C38 | C35 | C34 | C36 | 119.1° | 120.0° |
| C38 | C35 | C34 | H23 | 120.5° | 120.0° |
| C38 | C35 | C36 | H23 | 120.4° | 120.0° |
| C38 | C35 | C36 | C37 | 59.1° | 60.0° |
| C38 | C35 | C34 | H21 | 179.4° | 180.0° |
| C38 | C35 | C34 | H22 | 59.5° | 60.0° |
| C38 | C35 | C36 | H24 | 179.3° | 180.0° |
| C38 | C35 | C36 | H25 | 61.1° | 60.0° |
| C35 | C38 | H27 | H28 | 119.8° | 120.0° |
| C39 | C40 | C37 | H29 | 120.1° | 120.0° |
| C39 | C40 | C37 | H30 | 120.1° | 120.0° |
| C39 | C40 | C37 | C32 | 60.4° | 60.0° |
| C39 | C40 | C37 | C36 | 59.2° | 60.0° |
| C39 | C40 | C37 | H26 | 179.6° | 180.0° |
| C40 | C39 | C38 | H27 | 179.6° | 59.9° |
| C40 | C39 | C38 | H28 | 59.7° | 180.0° |
| C39 | C40 | H29 | H30 | 119.7° | 120.0° |
| C40 | C39 | C41 | H31 | 60.5° | 180.0° |
| C40 | C39 | C41 | H32 | 179.8° | 60.0° |
| C40 | C39 | N42 | H33 | 60.1° | 180.0° |
| C40 | C39 | N42 | H34 | 179.9° | 56.0° |
| C33 | C34 | C35 | H21 | 120.1° | 119.9° |
| C33 | C34 | C35 | H22 | 120.1° | 120.0° |
| C34 | C33 | C32 | H20 | 121.1° | 120.0° |
| C33 | C34 | C35 | C36 | 58.5° | 60.0° |
| C34 | C33 | C32 | C37 | 58.2° | 60.0° |
| C34 | C33 | C32 | N31 | 65.6° | 60.1° |
| C34 | C33 | C32 | H19 | 174.5° | 180.0° |
| C33 | C34 | H21 | H22 | 119.8° | 120.0° |
| C33 | C34 | C35 | H23 | 179.0° | 180.0° |
| C34 | C33 | C41 | H31 | 179.9° | 60.0° |
| C34 | C33 | C41 | H32 | 60.1° | 179.9° |
| C35 | C34 | C33 | C32 | 58.6° | 60.0° |
| C34 | C35 | C36 | H23 | 120.4° | 120.0° |
| C34 | C35 | C36 | C37 | 60.1° | 60.0° |
| C35 | C34 | C33 | H20 | 179.6° | 180.0° |
| C35 | C34 | H21 | H22 | 119.8° | 120.1° |
| C34 | C35 | C36 | H24 | 60.1° | 60.0° |
| C34 | C35 | C36 | H25 | 179.7° | 180.0° |
| C34 | C35 | C38 | H27 | 60.5° | 180.0° |
| C34 | C35 | C38 | H28 | 179.6° | 60.0° |
| C33 | C32 | C37 | C40 | 60.9° | 60.0° |
| C33 | C32 | C37 | N31 | 124.7° | 120.0° |
| C33 | C32 | C37 | H19 | 116.2° | 120.0° |
| C33 | C32 | N31 | H19 | 119.0° | 119.9° |
| C33 | C32 | C37 | C36 | 58.5° | 60.0° |
| C33 | C32 | N31 | C29 | 147.4° | 85.0° |
| C33 | C32 | N31 | H18 | 32.5° | 95.1° |
| C32 | C33 | C34 | H21 | 61.4° | 60.0° |
| C32 | C33 | C34 | H22 | 178.7° | 180.0° |
| C33 | C32 | C37 | H26 | 179.0° | 180.0° |
| C32 | C33 | C41 | H31 | 59.7° | 180.0° |
| C32 | C33 | C41 | H32 | 179.4° | 60.1° |
| C35 | C36 | C37 | C40 | 58.9° | 60.0° |
| C35 | C36 | C37 | C32 | 60.5° | 60.0° |
| C35 | C36 | C37 | H24 | 120.2° | 120.0° |
| C35 | C36 | C37 | H25 | 120.2° | 120.1° |
| C36 | C35 | C34 | H21 | 61.5° | 60.0° |
| C36 | C35 | C34 | H22 | 178.6° | 180.0° |
| C35 | C36 | H24 | H25 | 119.4° | 120.0° |
| C35 | C36 | C37 | H26 | 179.2° | 180.0° |
| C36 | C35 | C38 | H27 | 179.7° | 60.0° |
| C36 | C35 | C38 | H28 | 60.4° | 180.0° |
| C40 | C37 | C32 | C36 | 119.5° | 120.0° |
| C40 | C37 | C32 | H26 | 120.1° | 120.0° |
| C40 | C37 | C32 | N31 | 174.4° | 180.0° |
| C40 | C37 | C36 | H26 | 120.3° | 120.0° |
| C40 | C37 | C32 | H19 | 55.3° | 60.0° |
| C40 | C37 | C36 | H24 | 179.1° | 180.0° |
| C40 | C37 | C36 | H25 | 61.3° | 60.1° |
| C37 | C40 | H29 | H30 | 119.7° | 120.0° |
| C37 | C32 | N31 | H19 | 118.3° | 120.0° |
| C32 | C37 | C36 | H26 | 120.3° | 120.0° |
| C37 | C32 | N31 | C29 | 89.9° | 155.0° |
| C37 | C32 | N31 | H18 | 90.1° | 25.0° |
| C37 | C32 | C33 | H20 | 179.3° | 180.0° |
| C32 | C37 | C36 | H24 | 59.7° | 60.1° |
| C32 | C37 | C36 | H25 | 179.3° | 180.0° |
| C32 | C37 | C40 | H29 | 179.5° | 60.0° |
| C32 | C37 | C40 | H30 | 59.7° | 180.0° |
| N31 | C32 | C37 | C36 | 66.1° | 60.0° |
| C32 | N31 | C29 | H18 | 180.0° | 179.9° |
| C32 | N31 | C29 | O30 | 2.7° | 0.1° |
| C32 | N31 | C29 | C26 | 179.1° | 180.0° |
| N31 | C32 | C33 | H20 | 55.4° | 60.0° |
| N31 | C32 | C37 | H26 | 54.3° | 60.0° |
| C36 | C37 | C32 | H19 | 174.7° | 180.0° |
| C37 | C36 | C35 | H23 | 179.5° | 180.0° |
| C37 | C36 | H24 | H25 | 119.4° | 119.9° |
| C36 | C37 | C40 | H29 | 60.8° | 180.0° |
| C36 | C37 | C40 | H30 | 179.4° | 60.0° |
| N31 | C29 | O30 | C26 | 178.2° | 179.9° |
| N31 | C29 | C26 | C25 | 31.4° | 180.0° |
| N31 | C29 | C26 | C27 | 149.1° | 0.0° |
| C29 | N31 | C32 | H19 | 28.4° | 35.0° |
| O30 | C29 | C26 | C25 | 146.9° | 0.1° |
| O30 | C29 | C26 | C27 | 32.6° | 179.9° |
| O30 | C29 | N31 | H18 | 177.3° | 180.0° |
| C29 | C26 | C25 | C27 | 179.5° | 180.0° |
| C29 | C26 | C25 | C24 | 179.2° | 180.0° |
| C29 | C26 | C27 | C28 | 179.2° | 179.8° |
| C29 | C26 | C25 | H15 | 0.8° | 0.0° |
| C29 | C26 | C27 | H16 | 0.8° | 0.0° |
| C26 | C29 | N31 | H18 | 0.9° | 0.1° |
| C26 | C25 | C24 | H15 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.3° |
| C26 | C25 | C24 | C12 | 0.0° | 0.0° |
| C26 | C25 | C24 | H14 | 180.0° | 180.0° |
| C25 | C26 | C27 | H16 | 179.7° | 180.0° |
| C27 | C26 | C25 | C24 | 0.3° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 179.7° |
| C26 | C27 | C28 | C12 | 0.1° | 0.5° |
| C27 | C26 | C25 | H15 | 179.7° | 179.9° |
| C26 | C27 | C28 | H17 | 179.9° | 180.0° |
| C25 | C24 | C12 | H14 | 180.0° | 180.0° |
| C25 | C24 | C12 | C28 | 0.3° | 0.2° |
| C25 | C24 | C12 | C11 | 178.3° | 180.0° |
| C27 | C28 | C12 | C24 | 0.2° | 0.5° |
| C27 | C28 | C12 | H17 | 180.0° | 179.5° |
| C27 | C28 | C12 | C11 | 178.3° | 179.8° |
| C24 | C12 | C28 | C11 | 178.5° | 179.7° |
| C24 | C12 | C11 | C10 | 70.1° | 90.0° |
| C24 | C12 | C11 | H4 | 170.0° | 30.0° |
| C24 | C12 | C11 | H5 | 49.8° | 150.0° |
| C12 | C24 | C25 | H15 | 180.0° | 180.0° |
| C24 | C12 | C28 | H17 | 179.8° | 180.0° |
| C28 | C12 | C11 | C10 | 108.4° | 90.2° |
| C28 | C12 | C11 | H4 | 11.5° | 149.7° |
| C28 | C12 | C11 | H5 | 131.8° | 29.8° |
| C28 | C12 | C24 | H14 | 179.7° | 179.8° |
| C12 | C28 | C27 | H16 | 179.9° | 179.8° |
| C12 | C11 | C10 | H4 | 119.9° | 119.9° |
| C12 | C11 | C10 | H5 | 119.9° | 120.0° |
| C12 | C11 | C10 | C13 | 100.8° | 84.4° |
| C12 | C11 | C10 | C9 | 79.1° | 95.3° |
| C12 | C11 | H4 | H5 | 120.3° | 119.9° |
| C11 | C12 | C24 | H14 | 1.7° | 0.1° |
| C11 | C12 | C28 | H17 | 1.7° | 0.2° |
| C11 | C10 | C13 | O14 | 0.5° | 0.3° |
| C11 | C10 | C13 | C9 | 179.9° | 179.7° |
| C11 | C10 | C13 | C1 | 179.6° | 179.7° |
| C11 | C10 | C9 | C20 | 0.5° | 0.0° |
| C11 | C10 | C9 | N7 | 179.1° | 179.9° |
| C10 | C11 | H4 | H5 | 120.3° | 120.1° |
| O14 | C13 | C10 | C1 | 179.9° | 179.5° |
| O14 | C13 | C10 | C9 | 179.7° | 180.0° |
| O14 | C13 | C1 | C2 | 0.1° | 0.4° |
| O14 | C13 | C1 | C6 | 180.0° | 180.0° |
| C10 | C13 | C1 | C2 | 179.8° | 179.8° |
| C10 | C13 | C1 | C6 | 0.1° | 0.6° |
| C13 | C10 | C9 | C20 | 179.6° | 179.7° |
| C13 | C10 | C9 | N7 | 0.7° | 0.3° |
| C13 | C10 | C11 | H4 | 139.3° | 35.5° |
| C13 | C10 | C11 | H5 | 19.1° | 155.6° |
| C1 | C13 | C10 | C9 | 0.3° | 0.5° |
| C13 | C1 | C2 | C6 | 179.9° | 179.6° |
| C13 | C1 | C2 | C3 | 179.8° | 179.7° |
| C13 | C1 | C6 | N7 | 0.0° | 0.3° |
| C13 | C1 | C6 | N5 | 180.0° | 179.8° |
| C13 | C1 | C2 | H1 | 0.2° | 0.4° |
| C10 | C9 | C20 | N7 | 179.7° | 180.0° |
| C10 | C9 | C20 | O22 | 115.8° | 76.5° |
| C10 | C9 | C20 | O21 | 65.0° | 103.6° |
| C10 | C9 | N7 | C6 | 0.9° | 0.1° |
| C10 | C9 | N7 | C8 | 179.7° | 180.0° |
| C9 | C10 | C11 | H4 | 40.8° | 144.8° |
| C9 | C10 | C11 | H5 | 161.1° | 24.7° |
| C1 | C2 | C3 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | N7 | 179.9° | 180.0° |
| C2 | C1 | C6 | N5 | 0.2° | 0.1° |
| C1 | C2 | C3 | H2 | 179.7° | 179.9° |
| C3 | C2 | C1 | C6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | N5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H3 | 179.6° | 180.0° |
| C1 | C6 | N7 | C9 | 0.4° | 0.1° |
| C1 | C6 | N7 | N5 | 180.0° | 179.9° |
| C1 | C6 | N7 | C8 | 179.9° | 180.0° |
| C1 | C6 | N5 | C4 | 0.2° | 0.1° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C9 | C20 | O22 | O21 | 179.2° | 180.0° |
| C9 | C20 | O22 | C23 | 179.4° | 180.0° |
| C20 | C9 | N7 | C6 | 179.5° | 179.9° |
| C20 | C9 | N7 | C8 | 0.1° | 0.0° |
| N7 | C9 | C20 | O22 | 63.9° | 103.5° |
| N7 | C9 | C20 | O21 | 115.4° | 76.5° |
| C9 | N7 | C6 | C8 | 179.4° | 179.9° |
| C9 | N7 | C6 | N5 | 179.6° | 180.0° |
| C9 | N7 | C8 | C15 | 106.4° | 87.9° |
| C9 | N7 | C8 | C19 | 73.3° | 92.4° |
| C20 | O22 | C23 | H11 | 180.0° | 179.9° |
| C20 | O22 | C23 | H12 | 60.0° | 60.0° |
| C20 | O22 | C23 | H13 | 60.0° | 60.0° |
| C23 | O22 | C20 | O21 | 0.3° | 0.0° |
| O22 | C23 | H11 | H12 | 120.0° | 120.1° |
| O22 | C23 | H11 | H13 | 120.0° | 120.0° |
| O22 | C23 | H12 | H13 | 120.0° | 120.0° |
| C3 | C4 | N5 | C6 | 0.1° | 0.1° |
| C3 | C4 | N5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| N7 | C6 | N5 | C4 | 179.9° | 180.0° |
| C6 | N7 | C8 | C15 | 74.1° | 92.2° |
| C6 | N7 | C8 | C19 | 106.1° | 87.5° |
| N5 | C6 | N7 | C8 | 0.2° | 0.1° |
| C6 | N5 | C4 | H3 | 179.9° | 179.9° |
| N7 | C8 | C15 | C19 | 179.8° | 179.7° |
| N7 | C8 | C15 | C16 | 179.6° | 180.0° |
| N7 | C8 | C19 | C18 | 179.6° | 179.7° |
| N7 | C8 | C15 | H6 | 0.4° | 0.1° |
| N7 | C8 | C19 | H10 | 0.4° | 0.0° |
| N5 | C4 | C3 | H2 | 179.6° | 179.9° |
| C8 | C15 | C16 | H6 | 180.0° | 179.8° |
| C15 | C8 | C19 | C18 | 0.2° | 0.5° |
| C8 | C15 | C16 | C17 | 0.0° | 0.1° |
| C8 | C15 | C16 | H7 | 180.0° | 180.0° |
| C15 | C8 | C19 | H10 | 179.9° | 179.7° |
| C19 | C8 | C15 | C16 | 0.2° | 0.3° |
| C8 | C19 | C18 | H10 | 180.0° | 179.8° |
| C8 | C19 | C18 | C17 | 0.0° | 0.5° |
| C19 | C8 | C15 | H6 | 179.8° | 179.8° |
| C8 | C19 | C18 | H9 | 180.0° | 179.8° |
| C15 | C16 | C17 | H7 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H8 | 179.8° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.2° |
| C19 | C18 | C17 | H9 | 180.0° | 179.8° |
| C19 | C18 | C17 | H8 | 179.8° | 179.7° |
| C16 | C17 | C18 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | H6 | 180.0° | 179.9° |
| C16 | C17 | C18 | H9 | 179.8° | 180.0° |
| C18 | C17 | C16 | H7 | 179.8° | 180.0° |
| C17 | C18 | C19 | H10 | 180.0° | 179.7° |
| H1 | C2 | C3 | H2 | 0.3° | 0.0° |
| H2 | C3 | C4 | H3 | 0.4° | 0.0° |
| H6 | C15 | C16 | H7 | 0.0° | 0.1° |
| H7 | C16 | C17 | H8 | 0.2° | 0.0° |
| H8 | C17 | C18 | H9 | 0.2° | 0.0° |
| H9 | C18 | C19 | H10 | 0.0° | 0.0° |
| H11 | C23 | H12 | H13 | 120.0° | 119.9° |
| H14 | C24 | C25 | H15 | 0.0° | 0.0° |
| H16 | C27 | C28 | H17 | 0.1° | 0.2° |
| H18 | N31 | C32 | H19 | 151.6° | 145.0° |
| H19 | C32 | C33 | H20 | 64.5° | 59.9° |
| H19 | C32 | C37 | H26 | 64.8° | 60.0° |
| H20 | C33 | C34 | H21 | 59.6° | 60.1° |
| H20 | C33 | C34 | H22 | 60.3° | 59.9° |
| H20 | C33 | C41 | H31 | 60.1° | 59.9° |
| H20 | C33 | C41 | H32 | 59.7° | 60.0° |
| H21 | C34 | C35 | H23 | 58.9° | 60.1° |
| H22 | C34 | C35 | H23 | 61.0° | 60.0° |
| H23 | C35 | C36 | H24 | 60.3° | 60.0° |
| H23 | C35 | C36 | H25 | 59.3° | 60.0° |
| H23 | C35 | C38 | H27 | 59.9° | 60.0° |
| H23 | C35 | C38 | H28 | 60.0° | 60.0° |
| H24 | C36 | C37 | H26 | 60.6° | 60.0° |
| H25 | C36 | C37 | H26 | 59.0° | 59.9° |
| H26 | C37 | C40 | H29 | 59.5° | 60.0° |
| H26 | C37 | C40 | H30 | 60.3° | 60.0° |
