J5N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | N37 | sing | 1.47Å | 1.47Å | |
| N37 | C36 | sing | 1.47Å | 1.46Å | |
| N37 | C38 | sing | 1.47Å | 1.45Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C35 | N34 | sing | 1.47Å | 1.47Å | |
| C39 | N34 | sing | 1.47Å | 1.47Å | |
| N34 | C31 | sing | 1.39Å | 1.38Å | |
| C31 | N32 | doub | 1.29Å | 1.36Å | Aromatic |
| C31 | S30 | sing | 1.76Å | 1.72Å | Aromatic |
| N32 | C28 | sing | 1.33Å | 1.38Å | Aromatic |
| S30 | C29 | sing | 1.76Å | 1.72Å | Aromatic |
| C26 | C27 | doub | 1.37Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C25 | sing | 1.48Å | 1.50Å | |
| C28 | C29 | doub | 1.35Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | trip | 1.17Å | 1.18Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | F33 | sing | 1.35Å | 1.38Å | |
| C10 | C3 | sing | 1.47Å | 1.48Å | |
| C3 | C4 | sing | 1.55Å | 1.51Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C4 | C5 | sing | 1.55Å | 1.51Å | |
| C4 | O8 | sing | 1.44Å | 1.43Å | |
| O21 | C20 | doub | 1.22Å | 1.22Å | |
| C22 | C20 | sing | 1.47Å | 1.51Å | |
| C22 | C23 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.47Å | 1.49Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| O8 | C7 | sing | 1.44Å | 1.43Å | |
| C20 | N19 | sing | 1.35Å | 1.35Å | |
| O9 | C6 | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| O14 | C12 | doub | 1.21Å | 1.22Å | |
| C6 | C7 | sing | 1.54Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| N19 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.05Å | 1.06Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C39 | H7 | sing | 1.09Å | 1.10Å | |
| C39 | H8 | sing | 1.09Å | 1.10Å | |
| C38 | H9 | sing | 1.09Å | 1.10Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C40 | H12 | sing | 1.09Å | 1.10Å | |
| C40 | H13 | sing | 1.09Å | 1.10Å | |
| C40 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| N19 | H23 | sing | 0.97Å | 1.00Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | H33 | sing | 1.09Å | 1.10Å | |
| O9 | H34 | sing | 0.97Å | 0.95Å | |
| C3 | H35 | sing | 1.09Å | 1.10Å | |
| C2 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | N37 | C36 | 110.8° | 111.0° |
| C40 | N37 | C38 | 110.8° | 111.0° |
| N37 | C40 | H12 | 109.5° | 109.5° |
| N37 | C40 | H13 | 109.5° | 109.4° |
| N37 | C40 | H14 | 109.5° | 109.5° |
| C36 | N37 | C38 | 109.5° | 110.9° |
| N37 | C36 | C35 | 109.9° | 109.4° |
| N37 | C36 | H15 | 109.4° | 109.5° |
| N37 | C36 | H16 | 109.3° | 109.5° |
| N37 | C38 | C39 | 111.1° | 109.4° |
| N37 | C38 | H9 | 109.1° | 109.4° |
| N37 | C38 | H10 | 109.0° | 109.5° |
| C36 | C35 | N34 | 110.9° | 109.3° |
| C35 | C36 | H15 | 109.3° | 109.5° |
| C35 | C36 | H16 | 109.4° | 109.5° |
| C36 | C35 | H17 | 109.1° | 109.5° |
| C36 | C35 | H18 | 109.1° | 109.5° |
| C38 | C39 | N34 | 112.0° | 109.3° |
| C38 | C39 | H7 | 108.8° | 109.5° |
| C38 | C39 | H8 | 108.9° | 109.5° |
| C39 | C38 | H9 | 109.1° | 109.5° |
| C39 | C38 | H10 | 109.1° | 109.5° |
| C35 | N34 | C39 | 111.6° | 110.9° |
| C35 | N34 | C31 | 121.7° | 111.0° |
| N34 | C35 | H17 | 109.1° | 109.5° |
| N34 | C35 | H18 | 109.1° | 109.5° |
| C39 | N34 | C31 | 117.7° | 111.0° |
| N34 | C39 | H7 | 108.9° | 109.5° |
| N34 | C39 | H8 | 108.9° | 109.5° |
| N34 | C31 | N32 | 120.0° | 125.3° |
| N34 | C31 | S30 | 125.7° | 125.2° |
| N32 | C31 | S30 | 114.4° | 109.6° |
| C31 | N32 | C28 | 111.0° | 116.9° |
| C31 | S30 | C29 | 89.5° | 90.2° |
| N32 | C28 | C25 | 118.9° | 122.4° |
| N32 | C28 | C29 | 113.6° | 115.1° |
| S30 | C29 | C28 | 111.5° | 108.2° |
| S30 | C29 | F33 | 119.3° | 125.9° |
| C27 | C26 | C25 | 120.4° | 120.0° |
| C26 | C27 | C22 | 120.6° | 120.0° |
| C27 | C26 | H21 | 119.8° | 120.0° |
| C26 | C27 | H22 | 119.7° | 120.0° |
| C26 | C25 | C28 | 121.2° | 119.9° |
| C26 | C25 | C24 | 118.2° | 120.1° |
| C25 | C26 | H21 | 119.8° | 120.0° |
| C25 | C28 | C29 | 127.3° | 122.4° |
| C28 | C25 | C24 | 120.5° | 120.0° |
| C28 | C29 | F33 | 129.2° | 125.9° |
| C27 | C22 | C20 | 120.1° | 120.1° |
| C27 | C22 | C23 | 118.9° | 119.9° |
| C22 | C27 | H22 | 119.7° | 120.0° |
| C11 | C10 | C3 | 179.7° | 180.0° |
| C10 | C11 | H1 | 180.0° | 179.9° |
| C25 | C24 | C23 | 121.3° | 120.0° |
| C25 | C24 | H19 | 119.3° | 120.0° |
| C10 | C3 | C4 | 115.3° | 110.9° |
| C10 | C3 | C2 | 117.3° | 110.9° |
| C10 | C3 | H35 | 107.5° | 110.8° |
| C4 | C3 | C2 | 101.9° | 101.9° |
| C3 | C4 | C5 | 105.5° | 103.0° |
| C3 | C4 | O8 | 111.2° | 108.4° |
| C3 | C4 | H6 | 111.2° | 113.7° |
| C4 | C3 | H35 | 107.1° | 110.9° |
| C3 | C2 | N1 | 101.9° | 104.8° |
| C2 | C3 | H35 | 107.0° | 111.0° |
| C3 | C2 | H36 | 111.3° | 110.4° |
| C3 | C2 | H37 | 111.3° | 110.4° |
| C5 | C4 | O8 | 104.8° | 104.9° |
| C4 | C5 | N1 | 104.0° | 107.2° |
| C4 | C5 | C6 | 104.8° | 104.0° |
| C4 | C5 | H5 | 110.7° | 112.5° |
| C5 | C4 | H6 | 111.2° | 113.2° |
| C4 | O8 | C7 | 111.1° | 105.5° |
| O8 | C4 | H6 | 112.4° | 112.9° |
| O21 | C20 | C22 | 119.7° | 120.0° |
| O21 | C20 | N19 | 121.7° | 120.0° |
| C20 | C22 | C23 | 120.9° | 120.0° |
| C22 | C20 | N19 | 118.2° | 120.0° |
| C22 | C23 | C24 | 120.5° | 120.0° |
| C22 | C23 | H20 | 119.8° | 120.0° |
| C23 | C24 | H19 | 119.3° | 120.0° |
| C24 | C23 | H20 | 119.8° | 120.0° |
| N1 | C5 | C6 | 115.3° | 109.3° |
| C5 | N1 | C2 | 109.6° | 108.8° |
| C5 | N1 | C12 | 122.5° | 125.6° |
| N1 | C5 | H5 | 111.1° | 111.7° |
| C5 | C6 | O9 | 111.4° | 110.6° |
| C5 | C6 | C7 | 100.9° | 104.2° |
| C5 | C6 | H4 | 111.4° | 110.5° |
| C6 | C5 | H5 | 110.6° | 111.7° |
| O8 | C7 | C6 | 105.0° | 105.0° |
| O8 | C7 | H2 | 110.6° | 110.4° |
| O8 | C7 | H3 | 110.6° | 110.4° |
| C20 | N19 | C13 | 123.6° | 120.0° |
| C20 | N19 | H23 | 118.2° | 120.0° |
| O9 | C6 | C7 | 108.0° | 110.5° |
| O9 | C6 | H4 | 112.8° | 110.5° |
| C6 | O9 | H34 | 109.5° | 114.0° |
| C2 | N1 | C12 | 127.6° | 125.6° |
| N1 | C2 | H36 | 111.3° | 110.3° |
| N1 | C2 | H37 | 111.3° | 110.4° |
| N1 | C12 | O14 | 122.1° | 120.0° |
| N1 | C12 | C13 | 122.3° | 120.0° |
| O14 | C12 | C13 | 115.6° | 120.0° |
| C6 | C7 | H2 | 110.6° | 110.3° |
| C6 | C7 | H3 | 110.6° | 110.4° |
| C7 | C6 | H4 | 111.5° | 110.5° |
| C12 | C13 | N19 | 109.2° | 109.4° |
| C12 | C13 | C15 | 108.4° | 109.5° |
| C12 | C13 | H24 | 109.4° | 109.5° |
| N19 | C13 | C15 | 110.3° | 109.5° |
| C13 | N19 | H23 | 118.2° | 120.0° |
| N19 | C13 | H24 | 110.2° | 109.5° |
| C13 | C15 | C16 | 115.2° | 109.5° |
| C15 | C13 | H24 | 109.3° | 109.4° |
| C13 | C15 | H25 | 108.0° | 109.5° |
| C13 | C15 | H26 | 108.0° | 109.5° |
| C15 | C16 | C18 | 110.4° | 109.5° |
| C15 | C16 | C17 | 110.5° | 109.5° |
| C16 | C15 | H25 | 108.0° | 109.5° |
| C16 | C15 | H26 | 108.0° | 109.4° |
| C15 | C16 | H27 | 108.2° | 109.5° |
| C18 | C16 | C17 | 111.2° | 109.5° |
| C18 | C16 | H27 | 108.2° | 109.4° |
| C16 | C18 | H28 | 109.5° | 109.4° |
| C16 | C18 | H29 | 109.5° | 109.5° |
| C16 | C18 | H30 | 109.5° | 109.5° |
| C17 | C16 | H27 | 108.2° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.4° |
| C16 | C17 | H32 | 109.5° | 109.4° |
| C16 | C17 | H33 | 109.4° | 109.5° |
| H2 | C7 | H3 | 109.5° | 110.3° |
| H7 | C39 | H8 | 109.4° | 109.5° |
| H9 | C38 | H10 | 109.5° | 109.5° |
| H12 | C40 | H13 | 109.5° | 109.4° |
| H12 | C40 | H14 | 109.5° | 109.5° |
| H13 | C40 | H14 | 109.4° | 109.5° |
| H15 | C36 | H16 | 109.5° | 109.5° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.4° |
| H28 | C18 | H29 | 109.5° | 109.5° |
| H28 | C18 | H30 | 109.5° | 109.5° |
| H29 | C18 | H30 | 109.4° | 109.5° |
| H31 | C17 | H32 | 109.5° | 109.5° |
| H31 | C17 | H33 | 109.5° | 109.5° |
| H32 | C17 | H33 | 109.5° | 109.5° |
| H36 | C2 | H37 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | N37 | C36 | C38 | 122.5° | 123.8° |
| C40 | N37 | C36 | C35 | 176.6° | 176.8° |
| C40 | N37 | C38 | C39 | 178.5° | 176.8° |
| C40 | N37 | C38 | H9 | 61.2° | 56.9° |
| C40 | N37 | C38 | H10 | 58.3° | 63.2° |
| N37 | C40 | H12 | H13 | 120.0° | 119.9° |
| N37 | C40 | H12 | H14 | 120.0° | 120.1° |
| N37 | C40 | H13 | H14 | 120.0° | 120.0° |
| C40 | N37 | C36 | H15 | 56.5° | 56.9° |
| C40 | N37 | C36 | H16 | 63.3° | 63.2° |
| N37 | C36 | C35 | H15 | 120.1° | 119.9° |
| N37 | C36 | C35 | H16 | 120.1° | 120.0° |
| C36 | N37 | C38 | C39 | 59.0° | 59.4° |
| N37 | C36 | C35 | N34 | 58.5° | 58.4° |
| C36 | N37 | C38 | H9 | 61.3° | 179.3° |
| C36 | N37 | C38 | H10 | 179.2° | 60.6° |
| C36 | N37 | C40 | H12 | 180.0° | 60.1° |
| C36 | N37 | C40 | H13 | 60.0° | 180.0° |
| C36 | N37 | C40 | H14 | 60.0° | 60.0° |
| N37 | C36 | H15 | H16 | 119.8° | 120.1° |
| N37 | C36 | C35 | H17 | 61.7° | 178.4° |
| N37 | C36 | C35 | H18 | 178.8° | 61.5° |
| C38 | N37 | C36 | C35 | 60.9° | 59.4° |
| N37 | C38 | C39 | H9 | 120.3° | 119.9° |
| N37 | C38 | C39 | H10 | 120.2° | 120.0° |
| N37 | C38 | C39 | N34 | 54.4° | 58.5° |
| N37 | C38 | C39 | H7 | 174.7° | 61.5° |
| N37 | C38 | C39 | H8 | 66.0° | 178.4° |
| N37 | C38 | H9 | H10 | 119.2° | 120.1° |
| C38 | N37 | C40 | H12 | 58.3° | 176.2° |
| C38 | N37 | C40 | H13 | 61.7° | 56.3° |
| C38 | N37 | C40 | H14 | 178.3° | 63.7° |
| C38 | N37 | C36 | H15 | 179.0° | 179.3° |
| C38 | N37 | C36 | H16 | 59.1° | 60.6° |
| C36 | C35 | N34 | H17 | 120.2° | 119.9° |
| C36 | C35 | N34 | H18 | 120.2° | 120.0° |
| C36 | C35 | N34 | C39 | 53.4° | 59.4° |
| C36 | C35 | N34 | C31 | 160.1° | 176.8° |
| C35 | C36 | H15 | H16 | 119.8° | 120.0° |
| C36 | C35 | H17 | H18 | 119.3° | 120.1° |
| C38 | C39 | N34 | C35 | 51.5° | 59.4° |
| C38 | C39 | N34 | H7 | 120.4° | 120.0° |
| C38 | C39 | N34 | H8 | 120.4° | 119.9° |
| C38 | C39 | N34 | C31 | 160.6° | 176.8° |
| C38 | C39 | H7 | H8 | 118.9° | 120.1° |
| C39 | C38 | H9 | H10 | 119.2° | 120.1° |
| C35 | N34 | C39 | C31 | 147.9° | 123.8° |
| C35 | N34 | C31 | N32 | 15.3° | 56.2° |
| C35 | N34 | C31 | S30 | 164.2° | 123.5° |
| C35 | N34 | C39 | H7 | 171.8° | 60.6° |
| C35 | N34 | C39 | H8 | 68.9° | 179.3° |
| N34 | C35 | C36 | H15 | 178.6° | 178.4° |
| N34 | C35 | C36 | H16 | 61.5° | 61.6° |
| N34 | C35 | H17 | H18 | 119.4° | 120.1° |
| C39 | N34 | C31 | N32 | 159.8° | 179.9° |
| C39 | N34 | C31 | S30 | 19.7° | 0.3° |
| N34 | C39 | H7 | H8 | 118.9° | 120.1° |
| N34 | C39 | C38 | H9 | 65.9° | 178.4° |
| N34 | C39 | C38 | H10 | 174.6° | 61.5° |
| C39 | N34 | C35 | H17 | 66.8° | 179.3° |
| C39 | N34 | C35 | H18 | 173.7° | 60.6° |
| N34 | C31 | N32 | S30 | 179.6° | 179.7° |
| N34 | C31 | N32 | C28 | 178.3° | 180.0° |
| N34 | C31 | S30 | C29 | 179.9° | 179.7° |
| C31 | N34 | C39 | H7 | 40.2° | 63.2° |
| C31 | N34 | C39 | H8 | 79.0° | 56.9° |
| C31 | N34 | C35 | H17 | 79.7° | 56.9° |
| C31 | N34 | C35 | H18 | 39.9° | 63.3° |
| N32 | C31 | S30 | C29 | 0.6° | 0.0° |
| C31 | N32 | C28 | C25 | 177.3° | 180.0° |
| C31 | N32 | C28 | C29 | 3.1° | 0.5° |
| S30 | C31 | N32 | C28 | 2.2° | 0.3° |
| C31 | S30 | C29 | C28 | 1.2° | 0.3° |
| C31 | S30 | C29 | F33 | 179.8° | 180.0° |
| N32 | C28 | C29 | S30 | 2.7° | 0.5° |
| N32 | C28 | C25 | C26 | 3.9° | 35.3° |
| N32 | C28 | C25 | C29 | 173.3° | 179.5° |
| N32 | C28 | C25 | C24 | 171.9° | 145.0° |
| N32 | C28 | C29 | F33 | 178.5° | 179.8° |
| S30 | C29 | C28 | C25 | 176.3° | 180.0° |
| S30 | C29 | C28 | F33 | 178.9° | 179.7° |
| C27 | C26 | C25 | H21 | 180.0° | 179.9° |
| C27 | C26 | C25 | C28 | 176.9° | 180.0° |
| C26 | C27 | C22 | H22 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 1.0° | 0.4° |
| C26 | C27 | C22 | C20 | 177.9° | 180.0° |
| C26 | C27 | C22 | C23 | 0.2° | 0.3° |
| C26 | C25 | C28 | C24 | 175.8° | 179.6° |
| C26 | C25 | C28 | C29 | 177.2° | 144.1° |
| C25 | C26 | C27 | C22 | 0.3° | 0.0° |
| C26 | C25 | C24 | C23 | 1.3° | 0.3° |
| C26 | C25 | C24 | H19 | 178.7° | 179.7° |
| C25 | C26 | C27 | H22 | 179.7° | 179.9° |
| C25 | C28 | C29 | F33 | 4.8° | 0.3° |
| C28 | C25 | C24 | C23 | 177.2° | 180.0° |
| C28 | C25 | C24 | H19 | 2.8° | 0.1° |
| C28 | C25 | C26 | H21 | 3.1° | 0.1° |
| C29 | C28 | C25 | C24 | 1.4° | 35.5° |
| C27 | C22 | C20 | O21 | 25.6° | 0.1° |
| C27 | C22 | C20 | C23 | 177.6° | 179.7° |
| C27 | C22 | C23 | C24 | 0.0° | 0.3° |
| C27 | C22 | C20 | N19 | 146.9° | 180.0° |
| C27 | C22 | C23 | H20 | 180.0° | 179.8° |
| C22 | C27 | C26 | H21 | 179.7° | 180.0° |
| C11 | C10 | C3 | C4 | 92.6° | 179.1° |
| C11 | C10 | C3 | C2 | 147.4° | 68.4° |
| C11 | C10 | C3 | H35 | 26.8° | 55.4° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C25 | C24 | C23 | H19 | 180.0° | 179.9° |
| C25 | C24 | C23 | H20 | 179.2° | 179.9° |
| C24 | C25 | C26 | H21 | 178.9° | 179.7° |
| C10 | C3 | C4 | C2 | 128.1° | 118.2° |
| C10 | C3 | C4 | H35 | 119.6° | 123.6° |
| C10 | C3 | C2 | H35 | 120.8° | 123.6° |
| C10 | C3 | C4 | C5 | 164.8° | 152.6° |
| C10 | C3 | C4 | O8 | 51.7° | 41.8° |
| C10 | C3 | C2 | N1 | 167.6° | 155.3° |
| C3 | C10 | C11 | H1 | 126.8° | 176.5° |
| C10 | C3 | C4 | H6 | 74.5° | 84.6° |
| C10 | C3 | C2 | H36 | 48.8° | 85.9° |
| C10 | C3 | C2 | H37 | 73.7° | 36.4° |
| C4 | C3 | C2 | H35 | 112.3° | 118.2° |
| C3 | C4 | C5 | O8 | 117.5° | 113.3° |
| C3 | C4 | C5 | H6 | 120.7° | 123.2° |
| C3 | C4 | O8 | H6 | 125.5° | 126.8° |
| C3 | C4 | C5 | N1 | 18.1° | 20.3° |
| C3 | C4 | C5 | C6 | 139.5° | 136.0° |
| C3 | C4 | O8 | C7 | 113.2° | 149.0° |
| C4 | C3 | C2 | N1 | 40.7° | 37.1° |
| C3 | C4 | C5 | H5 | 101.3° | 102.9° |
| C4 | C3 | C2 | H36 | 78.1° | 155.9° |
| C4 | C3 | C2 | H37 | 159.4° | 81.7° |
| C2 | C3 | C4 | C5 | 36.6° | 34.4° |
| C2 | C3 | C4 | O8 | 76.5° | 76.4° |
| C3 | C2 | N1 | C5 | 30.9° | 25.3° |
| C3 | C2 | N1 | H36 | 118.8° | 118.9° |
| C3 | C2 | N1 | H37 | 118.8° | 118.8° |
| C3 | C2 | N1 | C12 | 142.8° | 154.7° |
| C2 | C3 | C4 | H6 | 157.4° | 157.2° |
| C3 | C2 | H36 | H37 | 123.5° | 122.4° |
| C5 | C4 | O8 | H6 | 120.9° | 123.7° |
| C4 | C5 | N1 | C6 | 114.1° | 112.2° |
| C4 | C5 | N1 | H5 | 119.1° | 123.7° |
| C4 | C5 | C6 | H5 | 119.3° | 121.7° |
| C5 | C4 | O8 | C7 | 0.3° | 39.5° |
| C4 | C5 | C6 | O9 | 80.0° | 119.8° |
| C4 | C5 | N1 | C2 | 8.3° | 3.0° |
| C4 | C5 | N1 | C12 | 165.8° | 177.0° |
| C4 | C5 | C6 | C7 | 34.5° | 1.1° |
| C4 | C5 | C6 | H4 | 153.0° | 117.6° |
| C5 | C4 | C3 | H35 | 75.6° | 83.9° |
| O8 | C4 | C5 | N1 | 99.4° | 93.1° |
| O8 | C4 | C5 | C6 | 21.9° | 22.6° |
| C4 | O8 | C7 | C6 | 22.7° | 40.3° |
| C4 | O8 | C7 | H2 | 142.0° | 159.2° |
| C4 | O8 | C7 | H3 | 96.6° | 78.6° |
| O8 | C4 | C5 | H5 | 141.2° | 143.8° |
| O8 | C4 | C3 | H35 | 171.3° | 165.4° |
| O21 | C20 | C22 | N19 | 172.5° | 179.9° |
| O21 | C20 | C22 | C23 | 156.8° | 179.8° |
| O21 | C20 | N19 | C13 | 4.1° | 5.3° |
| O21 | C20 | N19 | H23 | 175.9° | 174.8° |
| C20 | C22 | C23 | C24 | 177.6° | 180.0° |
| C22 | C20 | N19 | C13 | 168.2° | 174.7° |
| C20 | C22 | C23 | H20 | 2.4° | 0.1° |
| C20 | C22 | C27 | H22 | 2.2° | 0.1° |
| C22 | C20 | N19 | H23 | 11.8° | 5.2° |
| C22 | C23 | C24 | H20 | 180.0° | 179.9° |
| C23 | C22 | C20 | N19 | 30.7° | 0.3° |
| C22 | C23 | C24 | H19 | 179.2° | 179.9° |
| C23 | C22 | C27 | H22 | 179.8° | 179.7° |
| N1 | C5 | C6 | H5 | 127.1° | 124.1° |
| N1 | C5 | C6 | O9 | 166.3° | 126.0° |
| C5 | N1 | C2 | C12 | 173.7° | 180.0° |
| C5 | N1 | C12 | O14 | 13.6° | 3.6° |
| N1 | C5 | C6 | C7 | 79.2° | 115.3° |
| C5 | N1 | C12 | C13 | 168.3° | 176.2° |
| N1 | C5 | C6 | H4 | 39.4° | 3.3° |
| N1 | C5 | C4 | H6 | 138.8° | 143.5° |
| C5 | N1 | C2 | H36 | 87.9° | 144.2° |
| C5 | N1 | C2 | H37 | 149.6° | 93.6° |
| C5 | C6 | C7 | O8 | 34.7° | 24.6° |
| C5 | C6 | O9 | C7 | 110.0° | 114.8° |
| C5 | C6 | O9 | H4 | 126.2° | 122.6° |
| C6 | C5 | N1 | C2 | 105.8° | 109.2° |
| C6 | C5 | N1 | C12 | 80.1° | 70.8° |
| C5 | C6 | C7 | H4 | 118.4° | 118.7° |
| C5 | C6 | C7 | H2 | 154.0° | 143.5° |
| C5 | C6 | C7 | H3 | 84.6° | 94.4° |
| C6 | C5 | C4 | H6 | 99.8° | 100.8° |
| C5 | C6 | O9 | H34 | 180.0° | 176.3° |
| O8 | C7 | C6 | O9 | 82.3° | 143.3° |
| O8 | C7 | C6 | H2 | 119.3° | 118.9° |
| O8 | C7 | C6 | H3 | 119.3° | 118.9° |
| O8 | C7 | H2 | H3 | 122.1° | 122.2° |
| O8 | C7 | C6 | H4 | 153.1° | 94.1° |
| C7 | O8 | C4 | H6 | 121.3° | 84.2° |
| C20 | N19 | C13 | C12 | 70.3° | 154.3° |
| C20 | N19 | C13 | H23 | 180.0° | 179.9° |
| C20 | N19 | C13 | C15 | 170.7° | 85.6° |
| C20 | N19 | C13 | H24 | 50.0° | 34.4° |
| O9 | C6 | C7 | H4 | 124.6° | 122.6° |
| O9 | C6 | C7 | H2 | 36.9° | 97.8° |
| O9 | C6 | C7 | H3 | 158.4° | 24.4° |
| O9 | C6 | C5 | H5 | 39.3° | 1.9° |
| C2 | N1 | C12 | O14 | 159.3° | 176.4° |
| C2 | N1 | C12 | C13 | 18.8° | 3.8° |
| C2 | N1 | C5 | H5 | 127.4° | 126.7° |
| N1 | C2 | C3 | H35 | 71.6° | 81.1° |
| N1 | C2 | H36 | H37 | 123.5° | 122.2° |
| N1 | C12 | O14 | C13 | 178.2° | 179.8° |
| N1 | C12 | C13 | N19 | 125.9° | 173.8° |
| N1 | C12 | C13 | C15 | 113.9° | 66.2° |
| C12 | N1 | C5 | H5 | 46.7° | 53.3° |
| N1 | C12 | C13 | H24 | 5.2° | 53.8° |
| C12 | N1 | C2 | H36 | 98.4° | 35.8° |
| C12 | N1 | C2 | H37 | 24.1° | 86.4° |
| O14 | C12 | C13 | N19 | 52.3° | 6.0° |
| O14 | C12 | C13 | C15 | 67.9° | 114.0° |
| O14 | C12 | C13 | H24 | 173.1° | 126.0° |
| C6 | C7 | H2 | H3 | 122.1° | 122.2° |
| C7 | C6 | C5 | H5 | 153.8° | 120.6° |
| C7 | C6 | O9 | H34 | 70.0° | 61.5° |
| C12 | C13 | N19 | C15 | 119.0° | 120.0° |
| C12 | C13 | N19 | H24 | 120.2° | 120.0° |
| C12 | C13 | C15 | H24 | 119.2° | 120.0° |
| C12 | C13 | C15 | C16 | 176.1° | 65.8° |
| C12 | C13 | N19 | H23 | 109.8° | 25.8° |
| C12 | C13 | C15 | H25 | 63.1° | 54.2° |
| C12 | C13 | C15 | H26 | 55.3° | 174.2° |
| N19 | C13 | C15 | H24 | 121.3° | 120.0° |
| N19 | C13 | C15 | C16 | 64.4° | 54.2° |
| N19 | C13 | C15 | H25 | 56.4° | 174.2° |
| N19 | C13 | C15 | H26 | 174.8° | 65.8° |
| C13 | C15 | C16 | H25 | 120.8° | 120.0° |
| C13 | C15 | C16 | H26 | 120.8° | 120.0° |
| C13 | C15 | C16 | C18 | 82.7° | 71.0° |
| C13 | C15 | C16 | C17 | 153.8° | 169.0° |
| C15 | C13 | N19 | H23 | 9.3° | 94.3° |
| C13 | C15 | H25 | H26 | 117.4° | 120.0° |
| C13 | C15 | C16 | H27 | 35.5° | 48.9° |
| C15 | C16 | C18 | C17 | 123.0° | 120.0° |
| C15 | C16 | C18 | H27 | 118.3° | 120.0° |
| C15 | C16 | C17 | H27 | 118.3° | 120.0° |
| C16 | C15 | C13 | H24 | 56.9° | 174.2° |
| C16 | C15 | H25 | H26 | 117.4° | 120.0° |
| C15 | C16 | C18 | H28 | 180.0° | 41.4° |
| C15 | C16 | C18 | H29 | 60.0° | 161.4° |
| C15 | C16 | C18 | H30 | 60.0° | 78.6° |
| C15 | C16 | C17 | H31 | 180.0° | 60.0° |
| C15 | C16 | C17 | H32 | 60.0° | 180.0° |
| C15 | C16 | C17 | H33 | 60.0° | 60.0° |
| C18 | C16 | C17 | H27 | 118.7° | 120.0° |
| C18 | C16 | C15 | H25 | 156.5° | 49.0° |
| C18 | C16 | C15 | H26 | 38.1° | 169.0° |
| C16 | C18 | H28 | H29 | 120.0° | 120.0° |
| C16 | C18 | H28 | H30 | 120.0° | 120.0° |
| C16 | C18 | H29 | H30 | 120.0° | 120.0° |
| C18 | C16 | C17 | H31 | 57.0° | 180.0° |
| C18 | C16 | C17 | H32 | 177.0° | 60.0° |
| C18 | C16 | C17 | H33 | 63.0° | 60.0° |
| C17 | C16 | C15 | H25 | 33.0° | 71.0° |
| C17 | C16 | C15 | H26 | 85.3° | 49.0° |
| C17 | C16 | C18 | H28 | 56.9° | 78.7° |
| C17 | C16 | C18 | H29 | 63.1° | 41.3° |
| C17 | C16 | C18 | H30 | 177.0° | 161.4° |
| C16 | C17 | H31 | H32 | 120.0° | 119.9° |
| C16 | C17 | H31 | H33 | 120.0° | 120.0° |
| C16 | C17 | H32 | H33 | 120.0° | 120.0° |
| H2 | C7 | C6 | H4 | 87.6° | 24.8° |
| H3 | C7 | C6 | H4 | 33.8° | 147.0° |
| H4 | C6 | C5 | H5 | 87.7° | 120.8° |
| H4 | C6 | O9 | H34 | 53.8° | 61.1° |
| H5 | C5 | C4 | H6 | 19.4° | 20.3° |
| H6 | C4 | C3 | H35 | 45.1° | 39.0° |
| H7 | C39 | C38 | H9 | 54.5° | 58.4° |
| H7 | C39 | C38 | H10 | 65.0° | 178.5° |
| H8 | C39 | C38 | H9 | 173.7° | 61.7° |
| H8 | C39 | C38 | H10 | 54.2° | 58.4° |
| H12 | C40 | H13 | H14 | 120.0° | 120.0° |
| H15 | C36 | C35 | H17 | 58.4° | 61.7° |
| H15 | C36 | C35 | H18 | 61.1° | 58.4° |
| H16 | C36 | C35 | H17 | 178.3° | 58.4° |
| H16 | C36 | C35 | H18 | 58.7° | 178.4° |
| H19 | C24 | C23 | H20 | 0.8° | 0.0° |
| H21 | C26 | C27 | H22 | 0.3° | 0.0° |
| H23 | N19 | C13 | H24 | 130.0° | 145.7° |
| H24 | C13 | C15 | H25 | 177.7° | 65.8° |
| H24 | C13 | C15 | H26 | 63.9° | 54.2° |
| H25 | C15 | C16 | H27 | 85.3° | 169.0° |
| H26 | C15 | C16 | H27 | 156.4° | 71.1° |
| H27 | C16 | C18 | H28 | 61.8° | 161.4° |
| H27 | C16 | C18 | H29 | 178.2° | 78.7° |
| H27 | C16 | C18 | H30 | 58.3° | 41.4° |
| H27 | C16 | C17 | H31 | 61.7° | 60.0° |
| H27 | C16 | C17 | H32 | 58.3° | 60.0° |
| H27 | C16 | C17 | H33 | 178.3° | 180.0° |
| H28 | C18 | H29 | H30 | 120.0° | 120.0° |
| H31 | C17 | H32 | H33 | 120.0° | 120.1° |
| H35 | C3 | C2 | H36 | 169.6° | 37.7° |
| H35 | C3 | C2 | H37 | 47.2° | 160.1° |
