A1JMJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C18 | C6 | sing | 1.53Å | 1.53Å | |
| C23 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C10 | sing | 1.53Å | 1.51Å | |
| C7 | C31 | sing | 1.51Å | 1.50Å | |
| C10 | O11 | sing | 1.43Å | 1.43Å | |
| O11 | C30 | sing | 1.36Å | 1.39Å | |
| C31 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| O8 | C32 | sing | 1.36Å | 1.37Å | |
| C32 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C14 | sing | 1.51Å | 1.50Å | |
| C17 | N21 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C22 | sing | 1.47Å | 1.51Å | |
| C29 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| N21 | C22 | sing | 1.35Å | 1.35Å | |
| N21 | C19 | sing | 1.47Å | 1.48Å | |
| C16 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | O23 | doub | 1.22Å | 1.23Å | |
| C13 | C19 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N6 | sing | 1.40Å | 1.42Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | O35 | sing | 1.36Å | 1.35Å | |
| N6 | C4 | sing | 1.35Å | 1.36Å | |
| C4 | O5 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C1 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| N7 | C2 | sing | 1.47Å | 1.47Å | |
| N7 | C8 | sing | 1.47Å | 1.47Å | |
| N7 | C9 | sing | 1.47Å | 1.47Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| O35 | H25 | sing | 0.97Å | 0.95Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C7 | H28 | sing | 1.09Å | 1.10Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å | |
| C10 | H31 | sing | 1.09Å | 1.10Å | |
| C5 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C6 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C21 | H37 | sing | 1.09Å | 1.10Å | |
| C21 | H38 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C18 | 112.8° | 109.5° |
| C20 | C21 | C23 | 113.3° | 109.5° |
| C21 | C20 | H35 | 108.7° | 109.5° |
| C21 | C20 | H36 | 108.6° | 109.4° |
| C20 | C21 | H37 | 108.5° | 109.5° |
| C20 | C21 | H38 | 108.5° | 109.5° |
| C20 | C18 | C6 | 112.1° | 109.4° |
| C20 | C18 | H6 | 108.8° | 109.5° |
| C20 | C18 | H7 | 108.8° | 109.5° |
| C18 | C20 | H35 | 108.6° | 109.5° |
| C18 | C20 | H36 | 108.6° | 109.4° |
| C21 | C23 | C5 | 112.5° | 109.5° |
| C23 | C21 | H37 | 108.5° | 109.5° |
| C23 | C21 | H38 | 108.5° | 109.5° |
| C21 | C23 | H39 | 108.7° | 109.5° |
| C21 | C23 | H40 | 108.7° | 109.5° |
| C18 | C6 | C5 | 112.0° | 109.5° |
| C6 | C18 | H6 | 108.8° | 109.5° |
| C6 | C18 | H7 | 108.8° | 109.5° |
| C18 | C6 | H33 | 108.8° | 109.5° |
| C18 | C6 | H34 | 108.8° | 109.5° |
| C23 | C5 | C6 | 109.7° | 109.5° |
| C23 | C5 | C10 | 113.9° | 109.5° |
| C23 | C5 | H32 | 108.1° | 109.5° |
| C5 | C23 | H39 | 108.7° | 109.5° |
| C5 | C23 | H40 | 108.7° | 109.4° |
| C6 | C5 | C10 | 108.7° | 109.5° |
| C6 | C5 | H32 | 108.1° | 109.5° |
| C5 | C6 | H33 | 108.9° | 109.5° |
| C5 | C6 | H34 | 108.8° | 109.5° |
| C5 | C10 | O11 | 110.0° | 109.5° |
| C5 | C10 | H30 | 109.3° | 109.5° |
| C5 | C10 | H31 | 109.3° | 109.5° |
| C10 | C5 | H32 | 108.2° | 109.5° |
| C7 | C31 | C30 | 119.3° | 119.9° |
| C7 | C31 | C32 | 121.7° | 119.9° |
| C31 | C7 | H27 | 109.5° | 109.4° |
| C31 | C7 | H28 | 109.5° | 109.4° |
| C31 | C7 | H29 | 109.4° | 109.5° |
| C10 | O11 | C30 | 116.3° | 117.0° |
| O11 | C10 | H30 | 109.3° | 109.5° |
| O11 | C10 | H31 | 109.3° | 109.5° |
| O11 | C30 | C31 | 118.3° | 120.1° |
| O11 | C30 | C29 | 120.2° | 120.1° |
| C30 | C31 | C32 | 119.0° | 120.2° |
| C31 | C30 | C29 | 121.0° | 119.8° |
| C31 | C32 | O8 | 121.1° | 119.8° |
| C31 | C32 | C33 | 119.9° | 120.4° |
| C30 | C29 | C22 | 124.9° | 120.2° |
| C30 | C29 | C34 | 117.9° | 119.6° |
| O8 | C32 | C33 | 119.0° | 119.8° |
| C32 | O8 | H26 | 109.5° | 114.0° |
| C32 | C33 | C34 | 120.2° | 120.2° |
| C32 | C33 | H24 | 119.9° | 120.0° |
| C14 | C17 | N21 | 101.9° | 107.7° |
| C17 | C14 | C15 | 127.8° | 131.2° |
| C17 | C14 | C13 | 111.1° | 108.8° |
| C14 | C17 | H4 | 111.3° | 109.8° |
| C14 | C17 | H5 | 111.3° | 109.8° |
| C17 | N21 | C22 | 117.6° | 126.6° |
| C17 | N21 | C19 | 112.3° | 106.9° |
| N21 | C17 | H4 | 111.3° | 109.8° |
| N21 | C17 | H5 | 111.3° | 109.8° |
| C14 | C15 | C16 | 118.4° | 120.3° |
| C15 | C14 | C13 | 121.1° | 120.0° |
| C14 | C15 | H2 | 120.8° | 119.9° |
| C15 | C16 | C11 | 121.1° | 120.0° |
| C16 | C15 | H2 | 120.8° | 119.8° |
| C15 | C16 | H3 | 119.5° | 120.0° |
| C14 | C13 | C19 | 110.0° | 108.9° |
| C14 | C13 | C12 | 120.4° | 119.8° |
| C22 | C29 | C34 | 116.3° | 120.2° |
| C29 | C22 | N21 | 115.1° | 120.0° |
| C29 | C22 | O23 | 122.3° | 120.0° |
| C29 | C34 | C33 | 121.5° | 119.8° |
| C29 | C34 | O35 | 119.3° | 120.1° |
| C22 | N21 | C19 | 130.1° | 126.5° |
| N21 | C22 | O23 | 121.9° | 120.0° |
| N21 | C19 | C13 | 101.8° | 107.7° |
| N21 | C19 | H8 | 111.3° | 109.9° |
| N21 | C19 | H9 | 111.3° | 109.9° |
| C16 | C11 | C12 | 120.9° | 119.9° |
| C16 | C11 | H1 | 119.6° | 120.0° |
| C11 | C16 | H3 | 119.4° | 120.0° |
| C19 | C13 | C12 | 129.6° | 131.3° |
| C13 | C19 | H8 | 111.3° | 109.8° |
| C13 | C19 | H9 | 111.3° | 109.8° |
| C13 | C12 | C11 | 118.1° | 120.0° |
| C13 | C12 | N6 | 124.1° | 120.0° |
| C11 | C12 | N6 | 117.7° | 120.0° |
| C12 | C11 | H1 | 119.6° | 120.1° |
| C12 | N6 | C4 | 126.9° | 120.0° |
| C12 | N6 | H16 | 116.5° | 120.0° |
| C33 | C34 | O35 | 118.9° | 120.1° |
| C34 | C33 | H24 | 119.9° | 119.9° |
| C34 | O35 | H25 | 109.5° | 114.0° |
| N6 | C4 | O5 | 123.1° | 120.0° |
| N6 | C4 | C3 | 115.9° | 120.0° |
| C4 | N6 | H16 | 116.6° | 120.0° |
| O5 | C4 | C3 | 120.9° | 120.0° |
| C4 | C3 | C1 | 113.6° | 109.5° |
| C4 | C3 | H14 | 108.4° | 109.5° |
| C4 | C3 | H15 | 108.4° | 109.5° |
| C3 | C1 | C2 | 114.8° | 109.5° |
| C3 | C1 | H10 | 108.1° | 109.5° |
| C3 | C1 | H11 | 108.1° | 109.4° |
| C1 | C3 | H14 | 108.4° | 109.5° |
| C1 | C3 | H15 | 108.4° | 109.4° |
| C1 | C2 | N7 | 117.0° | 109.4° |
| C2 | C1 | H10 | 108.1° | 109.5° |
| C2 | C1 | H11 | 108.1° | 109.5° |
| C1 | C2 | H12 | 107.6° | 109.4° |
| C1 | C2 | H13 | 107.6° | 109.5° |
| C2 | N7 | C8 | 111.3° | 110.9° |
| C2 | N7 | C9 | 110.6° | 111.0° |
| N7 | C2 | H12 | 107.6° | 109.5° |
| N7 | C2 | H13 | 107.6° | 109.5° |
| C8 | N7 | C9 | 109.5° | 111.0° |
| N7 | C8 | H18 | 109.5° | 109.5° |
| N7 | C8 | H19 | 109.5° | 109.4° |
| N7 | C8 | H20 | 109.5° | 109.5° |
| N7 | C9 | H21 | 109.5° | 109.4° |
| N7 | C9 | H22 | 109.4° | 109.4° |
| N7 | C9 | H23 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.9° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.9° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.5° | 109.5° |
| H18 | C8 | H20 | 109.4° | 109.5° |
| H19 | C8 | H20 | 109.5° | 109.5° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H21 | C9 | H23 | 109.4° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
| H27 | C7 | H28 | 109.5° | 109.5° |
| H27 | C7 | H29 | 109.5° | 109.5° |
| H28 | C7 | H29 | 109.5° | 109.5° |
| H30 | C10 | H31 | 109.4° | 109.4° |
| H33 | C6 | H34 | 109.5° | 109.4° |
| H35 | C20 | H36 | 109.5° | 109.5° |
| H37 | C21 | H38 | 109.5° | 109.5° |
| H39 | C23 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C18 | H35 | 120.5° | 120.0° |
| C21 | C20 | C18 | H36 | 120.5° | 119.9° |
| C20 | C21 | C23 | H37 | 120.6° | 120.0° |
| C20 | C21 | C23 | H38 | 120.6° | 120.0° |
| C21 | C20 | C18 | C6 | 49.3° | 60.0° |
| C20 | C21 | C23 | C5 | 51.1° | 60.0° |
| C21 | C20 | C18 | H6 | 71.1° | 180.0° |
| C21 | C20 | C18 | H7 | 169.7° | 60.0° |
| C21 | C20 | H35 | H36 | 118.5° | 120.0° |
| C20 | C21 | H37 | H38 | 118.3° | 120.0° |
| C20 | C21 | C23 | H39 | 69.3° | 180.0° |
| C20 | C21 | C23 | H40 | 171.6° | 59.9° |
| C18 | C20 | C21 | C23 | 47.4° | 60.0° |
| C20 | C18 | C6 | H6 | 120.4° | 120.0° |
| C20 | C18 | C6 | H7 | 120.4° | 120.0° |
| C20 | C18 | C6 | C5 | 55.4° | 60.0° |
| C20 | C18 | H6 | H7 | 118.8° | 120.0° |
| C20 | C18 | C6 | H33 | 175.8° | 180.0° |
| C20 | C18 | C6 | H34 | 65.0° | 60.0° |
| C18 | C20 | H35 | H36 | 118.5° | 120.0° |
| C18 | C20 | C21 | H37 | 168.0° | 180.0° |
| C18 | C20 | C21 | H38 | 73.2° | 60.0° |
| C21 | C23 | C5 | H39 | 120.4° | 120.0° |
| C21 | C23 | C5 | H40 | 120.5° | 120.0° |
| C21 | C23 | C5 | C6 | 55.7° | 60.0° |
| C21 | C23 | C5 | C10 | 177.7° | 180.0° |
| C21 | C23 | C5 | H32 | 61.9° | 60.0° |
| C23 | C21 | C20 | H35 | 167.9° | 60.0° |
| C23 | C21 | C20 | H36 | 73.1° | 180.0° |
| C23 | C21 | H37 | H38 | 118.2° | 120.0° |
| C21 | C23 | H39 | H40 | 118.7° | 120.0° |
| C18 | C6 | C5 | C23 | 58.0° | 60.0° |
| C18 | C6 | C5 | H33 | 120.4° | 120.0° |
| C18 | C6 | C5 | H34 | 120.4° | 120.0° |
| C18 | C6 | C5 | C10 | 176.9° | 180.0° |
| C6 | C18 | H6 | H7 | 118.8° | 120.0° |
| C18 | C6 | C5 | H32 | 59.6° | 60.0° |
| C18 | C6 | H33 | H34 | 118.8° | 120.0° |
| C6 | C18 | C20 | H35 | 169.8° | 60.0° |
| C6 | C18 | C20 | H36 | 71.2° | 179.9° |
| C23 | C5 | C6 | C10 | 125.1° | 120.0° |
| C23 | C5 | C6 | H32 | 117.6° | 120.0° |
| C23 | C5 | C10 | H32 | 120.2° | 120.0° |
| C23 | C5 | C10 | O11 | 63.6° | 65.0° |
| C23 | C5 | C10 | H30 | 176.3° | 55.0° |
| C23 | C5 | C10 | H31 | 56.5° | 175.0° |
| C23 | C5 | C6 | H33 | 178.4° | 180.0° |
| C23 | C5 | C6 | H34 | 62.4° | 60.1° |
| C5 | C23 | C21 | H37 | 171.7° | 180.0° |
| C5 | C23 | C21 | H38 | 69.5° | 60.0° |
| C5 | C23 | H39 | H40 | 118.6° | 120.0° |
| C6 | C5 | C10 | H32 | 117.2° | 120.0° |
| C6 | C5 | C10 | O11 | 173.8° | 175.0° |
| C5 | C6 | C18 | H6 | 65.0° | 180.0° |
| C5 | C6 | C18 | H7 | 175.8° | 60.0° |
| C6 | C5 | C10 | H30 | 53.7° | 65.0° |
| C6 | C5 | C10 | H31 | 66.1° | 55.0° |
| C5 | C6 | H33 | H34 | 118.9° | 120.0° |
| C6 | C5 | C23 | H39 | 64.8° | 180.0° |
| C6 | C5 | C23 | H40 | 176.1° | 60.0° |
| C5 | C10 | O11 | H30 | 120.1° | 120.1° |
| C5 | C10 | O11 | H31 | 120.1° | 120.0° |
| C5 | C10 | O11 | C30 | 167.0° | 180.0° |
| C5 | C10 | H30 | H31 | 119.7° | 120.0° |
| C10 | C5 | C6 | H33 | 56.5° | 60.0° |
| C10 | C5 | C6 | H34 | 62.7° | 60.0° |
| C10 | C5 | C23 | H39 | 57.3° | 60.0° |
| C10 | C5 | C23 | H40 | 61.8° | 60.0° |
| C7 | C31 | C30 | O11 | 4.1° | 0.0° |
| C7 | C31 | C30 | C32 | 178.9° | 179.9° |
| C7 | C31 | C30 | C29 | 175.4° | 180.0° |
| C7 | C31 | C32 | O8 | 1.9° | 0.0° |
| C7 | C31 | C32 | C33 | 178.7° | 179.9° |
| C31 | C7 | H27 | H28 | 120.0° | 120.0° |
| C31 | C7 | H27 | H29 | 120.0° | 120.0° |
| C31 | C7 | H28 | H29 | 120.0° | 120.0° |
| C10 | O11 | C30 | C31 | 95.2° | 90.0° |
| C10 | O11 | C30 | C29 | 76.1° | 90.0° |
| O11 | C10 | H30 | H31 | 119.7° | 120.0° |
| O11 | C10 | C5 | H32 | 56.7° | 55.0° |
| O11 | C30 | C31 | C29 | 171.3° | 180.0° |
| O11 | C30 | C31 | C32 | 177.0° | 180.0° |
| O11 | C30 | C29 | C22 | 11.6° | 0.0° |
| O11 | C30 | C29 | C34 | 179.4° | 179.8° |
| C30 | O11 | C10 | H30 | 72.9° | 60.0° |
| C30 | O11 | C10 | H31 | 46.9° | 60.0° |
| C30 | C31 | C32 | O8 | 176.9° | 180.0° |
| C30 | C31 | C32 | C33 | 2.4° | 0.0° |
| C31 | C30 | C29 | C22 | 177.3° | 180.0° |
| C31 | C30 | C29 | C34 | 8.3° | 0.2° |
| C30 | C31 | C7 | H27 | 89.4° | 90.0° |
| C30 | C31 | C7 | H28 | 150.6° | 150.0° |
| C30 | C31 | C7 | H29 | 30.6° | 29.9° |
| C32 | C31 | C30 | C29 | 5.8° | 0.0° |
| C31 | C32 | O8 | C33 | 179.4° | 180.0° |
| C31 | C32 | C33 | C34 | 1.9° | 0.3° |
| C31 | C32 | C33 | H24 | 178.1° | 180.0° |
| C31 | C32 | O8 | H26 | 180.0° | 89.9° |
| C32 | C31 | C7 | H27 | 89.4° | 90.0° |
| C32 | C31 | C7 | H28 | 30.6° | 30.0° |
| C32 | C31 | C7 | H29 | 150.6° | 150.0° |
| C30 | C29 | C22 | C34 | 169.2° | 179.8° |
| C30 | C29 | C22 | N21 | 72.2° | 90.2° |
| C30 | C29 | C22 | O23 | 116.9° | 89.7° |
| C30 | C29 | C34 | C33 | 7.7° | 0.5° |
| C30 | C29 | C34 | O35 | 178.5° | 179.7° |
| O8 | C32 | C33 | C34 | 177.5° | 179.8° |
| O8 | C32 | C33 | H24 | 2.5° | 0.0° |
| C32 | C33 | C34 | C29 | 4.6° | 0.5° |
| C32 | C33 | C34 | H24 | 180.0° | 179.8° |
| C32 | C33 | C34 | O35 | 178.4° | 179.7° |
| C33 | C32 | O8 | H26 | 0.6° | 90.1° |
| C14 | C17 | N21 | H4 | 118.8° | 119.6° |
| C14 | C17 | N21 | H5 | 118.8° | 119.5° |
| C17 | C14 | C15 | C13 | 179.9° | 179.3° |
| C17 | C14 | C15 | C16 | 179.9° | 179.9° |
| C14 | C17 | N21 | C22 | 163.1° | 179.9° |
| C14 | C17 | N21 | C19 | 17.1° | 0.0° |
| C17 | C14 | C13 | C19 | 1.1° | 0.0° |
| C17 | C14 | C13 | C12 | 179.4° | 180.0° |
| C17 | C14 | C15 | H2 | 0.1° | 0.7° |
| C14 | C17 | H4 | H5 | 123.5° | 120.8° |
| N21 | C17 | C14 | C15 | 169.3° | 179.4° |
| N21 | C17 | C14 | C13 | 10.8° | 0.0° |
| C17 | N21 | C22 | C29 | 2.2° | 0.1° |
| C17 | N21 | C22 | C19 | 179.8° | 179.9° |
| C17 | N21 | C22 | O23 | 173.2° | 180.0° |
| C17 | N21 | C19 | C13 | 16.5° | 0.0° |
| N21 | C17 | H4 | H5 | 123.5° | 120.9° |
| C17 | N21 | C19 | H8 | 102.3° | 119.5° |
| C17 | N21 | C19 | H9 | 135.2° | 119.5° |
| C14 | C15 | C16 | H2 | 180.0° | 179.2° |
| C14 | C15 | C16 | C11 | 0.5° | 0.6° |
| C15 | C14 | C13 | C19 | 178.9° | 179.4° |
| C15 | C14 | C13 | C12 | 0.6° | 0.6° |
| C14 | C15 | C16 | H3 | 179.5° | 179.5° |
| C15 | C14 | C17 | H4 | 72.0° | 61.1° |
| C15 | C14 | C17 | H5 | 50.5° | 59.8° |
| C16 | C15 | C14 | C13 | 0.0° | 0.8° |
| C15 | C16 | C11 | H3 | 180.0° | 180.0° |
| C15 | C16 | C11 | C12 | 1.5° | 0.0° |
| C15 | C16 | C11 | H1 | 178.5° | 179.7° |
| C14 | C13 | C19 | N21 | 9.0° | 0.0° |
| C14 | C13 | C19 | C12 | 179.5° | 180.0° |
| C14 | C13 | C12 | C11 | 1.5° | 0.0° |
| C14 | C13 | C12 | N6 | 178.0° | 180.0° |
| C13 | C14 | C15 | H2 | 179.9° | 180.0° |
| C13 | C14 | C17 | H4 | 108.0° | 119.6° |
| C13 | C14 | C17 | H5 | 129.6° | 119.5° |
| C14 | C13 | C19 | H8 | 109.8° | 119.6° |
| C14 | C13 | C19 | H9 | 127.7° | 119.6° |
| C29 | C22 | N21 | O23 | 171.0° | 179.9° |
| C29 | C22 | N21 | C19 | 178.0° | 180.0° |
| C22 | C29 | C34 | C33 | 177.7° | 179.8° |
| C22 | C29 | C34 | O35 | 8.6° | 0.0° |
| C34 | C29 | C22 | N21 | 97.0° | 90.0° |
| C34 | C29 | C22 | O23 | 73.9° | 90.1° |
| C29 | C34 | C33 | O35 | 173.8° | 179.8° |
| C29 | C34 | C33 | H24 | 175.4° | 179.7° |
| C29 | C34 | O35 | H25 | 180.0° | 90.0° |
| C22 | N21 | C19 | C13 | 163.8° | 179.9° |
| C22 | N21 | C17 | H4 | 78.1° | 60.4° |
| C22 | N21 | C17 | H5 | 44.3° | 60.6° |
| C22 | N21 | C19 | H8 | 77.5° | 60.5° |
| C22 | N21 | C19 | H9 | 45.0° | 60.4° |
| C19 | N21 | C22 | O23 | 7.1° | 0.1° |
| N21 | C19 | C13 | H8 | 118.8° | 119.6° |
| N21 | C19 | C13 | H9 | 118.8° | 119.6° |
| N21 | C19 | C13 | C12 | 170.5° | 180.0° |
| C19 | N21 | C17 | H4 | 101.7° | 119.6° |
| C19 | N21 | C17 | H5 | 135.8° | 119.5° |
| N21 | C19 | H8 | H9 | 123.6° | 121.0° |
| C16 | C11 | C12 | C13 | 2.0° | 0.2° |
| C16 | C11 | C12 | H1 | 180.0° | 179.7° |
| C16 | C11 | C12 | N6 | 178.7° | 179.7° |
| C11 | C16 | C15 | H2 | 179.5° | 179.7° |
| C19 | C13 | C12 | C11 | 177.9° | 180.0° |
| C19 | C13 | C12 | N6 | 1.4° | 0.0° |
| C13 | C19 | H8 | H9 | 123.5° | 120.8° |
| C13 | C12 | C11 | N6 | 176.7° | 179.9° |
| C13 | C12 | N6 | C4 | 144.7° | 145.4° |
| C13 | C12 | C11 | H1 | 178.0° | 179.9° |
| C12 | C13 | C19 | H8 | 70.8° | 60.4° |
| C12 | C13 | C19 | H9 | 51.7° | 60.4° |
| C13 | C12 | N6 | H16 | 35.3° | 34.6° |
| C11 | C12 | N6 | C4 | 31.8° | 34.7° |
| C12 | C11 | C16 | H3 | 178.5° | 180.0° |
| C11 | C12 | N6 | H16 | 148.2° | 145.3° |
| C12 | N6 | C4 | H16 | 180.0° | 180.0° |
| C12 | N6 | C4 | O5 | 10.9° | 4.5° |
| C12 | N6 | C4 | C3 | 166.4° | 175.5° |
| N6 | C12 | C11 | H1 | 1.3° | 0.0° |
| C33 | C34 | O35 | H25 | 6.1° | 89.8° |
| O35 | C34 | C33 | H24 | 1.6° | 0.1° |
| N6 | C4 | O5 | C3 | 177.2° | 180.0° |
| N6 | C4 | C3 | C1 | 94.3° | 180.0° |
| N6 | C4 | C3 | H14 | 145.0° | 60.0° |
| N6 | C4 | C3 | H15 | 26.3° | 60.0° |
| O5 | C4 | C3 | C1 | 83.1° | 0.0° |
| O5 | C4 | C3 | H14 | 37.6° | 120.1° |
| O5 | C4 | C3 | H15 | 156.3° | 120.0° |
| O5 | C4 | N6 | H16 | 169.1° | 175.6° |
| C4 | C3 | C1 | H14 | 120.6° | 120.1° |
| C4 | C3 | C1 | H15 | 120.6° | 120.0° |
| C4 | C3 | C1 | C2 | 50.1° | 180.0° |
| C4 | C3 | C1 | H10 | 170.9° | 60.0° |
| C4 | C3 | C1 | H11 | 70.7° | 60.0° |
| C4 | C3 | H14 | H15 | 118.1° | 120.0° |
| C3 | C4 | N6 | H16 | 13.6° | 4.5° |
| C3 | C1 | C2 | H10 | 120.8° | 120.0° |
| C3 | C1 | C2 | H11 | 120.8° | 120.0° |
| C3 | C1 | C2 | N7 | 28.0° | 180.0° |
| C3 | C1 | H10 | H11 | 117.6° | 120.0° |
| C3 | C1 | C2 | H12 | 149.1° | 60.1° |
| C3 | C1 | C2 | H13 | 93.0° | 60.0° |
| C1 | C3 | H14 | H15 | 118.1° | 119.9° |
| C1 | C2 | N7 | H12 | 121.1° | 119.9° |
| C1 | C2 | N7 | H13 | 121.1° | 120.0° |
| C1 | C2 | N7 | C8 | 73.3° | 170.0° |
| C1 | C2 | N7 | C9 | 164.7° | 66.1° |
| C2 | C1 | H10 | H11 | 117.5° | 120.0° |
| C1 | C2 | H12 | H13 | 116.6° | 120.0° |
| C2 | C1 | C3 | H14 | 70.5° | 59.9° |
| C2 | C1 | C3 | H15 | 170.7° | 60.0° |
| C2 | N7 | C8 | C9 | 122.7° | 123.9° |
| N7 | C2 | C1 | H10 | 92.8° | 60.0° |
| N7 | C2 | C1 | H11 | 148.8° | 60.0° |
| N7 | C2 | H12 | H13 | 116.6° | 120.0° |
| C2 | N7 | C8 | H18 | 180.0° | 60.0° |
| C2 | N7 | C8 | H19 | 60.0° | 180.0° |
| C2 | N7 | C8 | H20 | 60.0° | 60.0° |
| C2 | N7 | C9 | H21 | 180.0° | 60.1° |
| C2 | N7 | C9 | H22 | 60.0° | 180.0° |
| C2 | N7 | C9 | H23 | 60.0° | 60.0° |
| C8 | N7 | C2 | H12 | 47.8° | 50.0° |
| C8 | N7 | C2 | H13 | 165.7° | 70.0° |
| N7 | C8 | H18 | H19 | 120.0° | 119.9° |
| N7 | C8 | H18 | H20 | 120.0° | 120.0° |
| N7 | C8 | H19 | H20 | 120.0° | 120.0° |
| C8 | N7 | C9 | H21 | 56.9° | 176.0° |
| C8 | N7 | C9 | H22 | 63.1° | 56.1° |
| C8 | N7 | C9 | H23 | 176.9° | 63.9° |
| C9 | N7 | C2 | H12 | 74.2° | 174.0° |
| C9 | N7 | C2 | H13 | 43.6° | 53.9° |
| C9 | N7 | C8 | H18 | 57.3° | 63.9° |
| C9 | N7 | C8 | H19 | 177.3° | 56.1° |
| C9 | N7 | C8 | H20 | 62.7° | 176.1° |
| N7 | C9 | H21 | H22 | 120.0° | 119.9° |
| N7 | C9 | H21 | H23 | 120.0° | 120.0° |
| N7 | C9 | H22 | H23 | 120.0° | 120.0° |
| H1 | C11 | C16 | H3 | 1.5° | 0.3° |
| H2 | C15 | C16 | H3 | 0.5° | 0.3° |
| H6 | C18 | C6 | H33 | 55.4° | 60.0° |
| H6 | C18 | C6 | H34 | 174.7° | 59.9° |
| H6 | C18 | C20 | H35 | 49.4° | 60.0° |
| H6 | C18 | C20 | H36 | 168.4° | 60.0° |
| H7 | C18 | C6 | H33 | 63.8° | 60.0° |
| H7 | C18 | C6 | H34 | 55.4° | 180.0° |
| H7 | C18 | C20 | H35 | 69.8° | 180.0° |
| H7 | C18 | C20 | H36 | 49.2° | 60.0° |
| H10 | C1 | C2 | H12 | 28.3° | 59.9° |
| H10 | C1 | C2 | H13 | 146.2° | 180.0° |
| H10 | C1 | C3 | H14 | 50.3° | 179.9° |
| H10 | C1 | C3 | H15 | 68.5° | 60.0° |
| H11 | C1 | C2 | H12 | 90.1° | 180.0° |
| H11 | C1 | C2 | H13 | 27.7° | 60.0° |
| H11 | C1 | C3 | H14 | 168.7° | 60.1° |
| H11 | C1 | C3 | H15 | 49.9° | NaN° |
| H18 | C8 | H19 | H20 | 120.0° | 120.1° |
| H21 | C9 | H22 | H23 | 120.0° | 120.1° |
| H27 | C7 | H28 | H29 | 120.0° | 120.0° |
| H30 | C10 | C5 | H32 | 63.4° | 175.0° |
| H31 | C10 | C5 | H32 | 176.8° | 65.0° |
| H32 | C5 | C6 | H33 | 60.8° | 60.0° |
| H32 | C5 | C6 | H34 | 180.0° | 180.0° |
| H32 | C5 | C23 | H39 | 177.6° | 60.0° |
| H32 | C5 | C23 | H40 | 58.5° | 180.0° |
| H35 | C20 | C21 | H37 | 71.6° | 60.0° |
| H35 | C20 | C21 | H38 | 47.3° | 180.0° |
| H36 | C20 | C21 | H37 | 47.5° | 60.0° |
| H36 | C20 | C21 | H38 | 166.4° | 60.0° |
| H37 | C21 | C23 | H39 | 51.3° | 60.0° |
| H37 | C21 | C23 | H40 | 67.9° | 60.1° |
| H38 | C21 | C23 | H39 | 170.1° | 60.0° |
| H38 | C21 | C23 | H40 | 51.0° | 180.0° |
