800
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | N16 | sing | 1.46Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| N16 | C15 | sing | 1.35Å | 1.35Å | |
| O26 | C24 | doub | 1.21Å | 1.22Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C24 | C20 | sing | 1.51Å | 1.50Å | |
| C24 | N23 | sing | 1.34Å | 1.34Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C15 | C14 | sing | 1.51Å | 1.50Å | |
| C15 | O38 | doub | 1.21Å | 1.22Å | |
| C34 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | N13 | sing | 1.46Å | 1.46Å | |
| N23 | C22 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| O33 | C12 | doub | 1.21Å | 1.24Å | |
| N13 | C12 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C30 | sing | 1.53Å | 1.54Å | |
| C11 | N10 | sing | 1.46Å | 1.44Å | |
| C16 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C3 | sing | 1.38Å | 1.34Å | Aromatic |
| N2 | C1 | sing | 1.38Å | 1.35Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C10 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.41Å | 1.47Å | Aromatic |
| N10 | C9 | sing | 1.35Å | 1.32Å | |
| C13 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| O29 | C9 | doub | 1.22Å | 1.22Å | |
| C9 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | C5 | doub | 1.36Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.44Å | Aromatic |
| C4 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.37Å | 1.42Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C34 | H20 | sing | 1.09Å | 1.10Å | |
| C34 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | 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 | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C7 | H31 | sing | 1.08Å | 1.08Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| N13 | H35 | sing | 0.97Å | 1.00Å | |
| N16 | H36 | sing | 0.97Å | 1.00Å | |
| N2 | H37 | sing | 0.97Å | 1.00Å | |
| N23 | H38 | sing | 0.97Å | 1.00Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C17 | 109.0° | 109.5° |
| O1 | C8 | H32 | 109.6° | 109.5° |
| O1 | C8 | H33 | 109.6° | 109.4° |
| C8 | O1 | H39 | 109.5° | 114.0° |
| C8 | C17 | C19 | 109.2° | 109.5° |
| C8 | C17 | N16 | 111.1° | 109.5° |
| C8 | C17 | H8 | 107.5° | 109.5° |
| C17 | C8 | H32 | 109.6° | 109.5° |
| C17 | C8 | H33 | 109.6° | 109.5° |
| C19 | C17 | N16 | 113.1° | 109.4° |
| C17 | C19 | C20 | 113.3° | 109.5° |
| C19 | C17 | H8 | 107.4° | 109.5° |
| C17 | C19 | H9 | 108.5° | 109.5° |
| C17 | C19 | H10 | 108.5° | 109.5° |
| C17 | N16 | C15 | 124.2° | 120.0° |
| N16 | C17 | H8 | 108.3° | 109.5° |
| C17 | N16 | H36 | 117.8° | 120.0° |
| C19 | C20 | C24 | 113.0° | 110.5° |
| C19 | C20 | C21 | 111.9° | 110.5° |
| C20 | C19 | H9 | 108.5° | 109.5° |
| C20 | C19 | H10 | 108.5° | 109.4° |
| C19 | C20 | H11 | 109.4° | 110.5° |
| N16 | C15 | C14 | 117.8° | 120.0° |
| N16 | C15 | O38 | 124.2° | 120.0° |
| C15 | N16 | H36 | 117.9° | 120.0° |
| O26 | C24 | C20 | 122.9° | 124.9° |
| O26 | C24 | N23 | 125.7° | 124.9° |
| C36 | C35 | C37 | 109.0° | 109.5° |
| C36 | C35 | C34 | 111.3° | 109.5° |
| C36 | C35 | H22 | 107.8° | 109.5° |
| C35 | C36 | H23 | 109.5° | 109.5° |
| C35 | C36 | H24 | 109.5° | 109.5° |
| C35 | C36 | H25 | 109.5° | 109.5° |
| C37 | C35 | C34 | 112.6° | 109.5° |
| C37 | C35 | H22 | 108.0° | 109.4° |
| C35 | C37 | H26 | 109.5° | 109.5° |
| C35 | C37 | H27 | 109.4° | 109.5° |
| C35 | C37 | H28 | 109.5° | 109.5° |
| C35 | C34 | C14 | 113.3° | 109.5° |
| C35 | C34 | H20 | 108.5° | 109.5° |
| C35 | C34 | H21 | 108.5° | 109.5° |
| C34 | C35 | H22 | 107.9° | 109.4° |
| C20 | C24 | N23 | 111.4° | 110.2° |
| C24 | C20 | C21 | 103.0° | 104.2° |
| C24 | C20 | H11 | 109.9° | 110.6° |
| C24 | N23 | C22 | 112.4° | 111.3° |
| C24 | N23 | H38 | 123.9° | 124.4° |
| C20 | C21 | C22 | 106.0° | 101.8° |
| C21 | C20 | H11 | 109.5° | 110.4° |
| C20 | C21 | H12 | 110.4° | 110.9° |
| C20 | C21 | H13 | 110.3° | 111.0° |
| C14 | C15 | O38 | 118.0° | 120.1° |
| C15 | C14 | C34 | 107.7° | 109.5° |
| C15 | C14 | N13 | 112.2° | 109.5° |
| C15 | C14 | H6 | 108.9° | 109.5° |
| C34 | C14 | N13 | 109.8° | 109.5° |
| C34 | C14 | H6 | 108.6° | 109.5° |
| C14 | C34 | H20 | 108.5° | 109.5° |
| C14 | C34 | H21 | 108.5° | 109.5° |
| C14 | N13 | C12 | 122.0° | 120.0° |
| N13 | C14 | H6 | 109.5° | 109.4° |
| C14 | N13 | H35 | 119.0° | 120.1° |
| N23 | C22 | C21 | 105.1° | 105.5° |
| N23 | C22 | H14 | 110.6° | 110.3° |
| N23 | C22 | H15 | 110.5° | 110.3° |
| C22 | N23 | H38 | 123.8° | 124.4° |
| C22 | C21 | H12 | 110.3° | 111.0° |
| C22 | C21 | H13 | 110.4° | 111.0° |
| C21 | C22 | H14 | 110.6° | 110.2° |
| C21 | C22 | H15 | 110.6° | 110.2° |
| O33 | C12 | N13 | 122.2° | 120.0° |
| O33 | C12 | C11 | 122.7° | 120.0° |
| N13 | C12 | C11 | 115.1° | 120.0° |
| C12 | N13 | H35 | 119.0° | 120.0° |
| C12 | C11 | C30 | 115.2° | 109.5° |
| C12 | C11 | N10 | 109.3° | 109.5° |
| C12 | C11 | H4 | 107.2° | 109.5° |
| C30 | C11 | N10 | 109.6° | 109.5° |
| C11 | C30 | C32 | 113.1° | 109.5° |
| C11 | C30 | C10 | 111.5° | 109.5° |
| C30 | C11 | H4 | 107.0° | 109.4° |
| C11 | C30 | H16 | 107.3° | 109.4° |
| C11 | N10 | C9 | 117.8° | 120.0° |
| N10 | C11 | H4 | 108.2° | 109.5° |
| C11 | N10 | H34 | 121.1° | 120.0° |
| C3 | C16 | C13 | 117.7° | 119.8° |
| C16 | C3 | N2 | 134.7° | 133.2° |
| C16 | C3 | C4 | 120.0° | 119.4° |
| C3 | C16 | H7 | 121.1° | 120.1° |
| C16 | C13 | C7 | 125.7° | 120.7° |
| C16 | C13 | H5 | 117.1° | 119.7° |
| C13 | C16 | H7 | 121.1° | 120.1° |
| C3 | N2 | C1 | 111.4° | 108.8° |
| N2 | C3 | C4 | 105.4° | 107.4° |
| C3 | N2 | H37 | 124.3° | 125.5° |
| N2 | C1 | C9 | 120.2° | 125.4° |
| N2 | C1 | C5 | 111.5° | 109.2° |
| C1 | N2 | H37 | 124.3° | 125.7° |
| C32 | C30 | C10 | 109.9° | 109.5° |
| C32 | C30 | H16 | 107.3° | 109.5° |
| C30 | C32 | H17 | 109.5° | 109.5° |
| C30 | C32 | H18 | 109.5° | 109.5° |
| C30 | C32 | H19 | 109.5° | 109.5° |
| C30 | C10 | H1 | 109.5° | 109.4° |
| C30 | C10 | H2 | 109.5° | 109.5° |
| C30 | C10 | H3 | 109.4° | 109.5° |
| C10 | C30 | H16 | 107.4° | 109.5° |
| C3 | C4 | C5 | 108.8° | 107.0° |
| C3 | C4 | C6 | 118.9° | 119.7° |
| N10 | C9 | O29 | 120.4° | 120.0° |
| N10 | C9 | C1 | 120.3° | 120.0° |
| C9 | N10 | H34 | 121.1° | 119.9° |
| C13 | C7 | C6 | 116.5° | 120.6° |
| C7 | C13 | H5 | 117.2° | 119.6° |
| C13 | C7 | H31 | 121.7° | 119.7° |
| O29 | C9 | C1 | 119.3° | 120.0° |
| C9 | C1 | C5 | 128.3° | 125.5° |
| C1 | C5 | C4 | 103.0° | 107.7° |
| C1 | C5 | H29 | 128.5° | 126.1° |
| C5 | C4 | C6 | 132.3° | 133.4° |
| C4 | C5 | H29 | 128.5° | 126.1° |
| C4 | C6 | C7 | 121.1° | 119.8° |
| C4 | C6 | H30 | 119.5° | 120.1° |
| C7 | C6 | H30 | 119.4° | 120.0° |
| C6 | C7 | H31 | 121.7° | 119.7° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.4° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H9 | C19 | H10 | 109.4° | 109.5° |
| H12 | C21 | H13 | 109.5° | 110.9° |
| H14 | C22 | H15 | 109.4° | 110.2° |
| H17 | C32 | H18 | 109.5° | 109.4° |
| H17 | C32 | H19 | 109.4° | 109.4° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H20 | C34 | H21 | 109.5° | 109.4° |
| H23 | C36 | H24 | 109.4° | 109.5° |
| H23 | C36 | H25 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.5° | 109.4° |
| H26 | C37 | H27 | 109.5° | 109.5° |
| H26 | C37 | H28 | 109.5° | 109.5° |
| H27 | C37 | H28 | 109.5° | 109.5° |
| H32 | C8 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C17 | H32 | 119.9° | 120.0° |
| O1 | C8 | C17 | H33 | 119.9° | 120.0° |
| O1 | C8 | C17 | C19 | 58.8° | 55.0° |
| O1 | C8 | C17 | N16 | 175.8° | 65.0° |
| O1 | C8 | C17 | H8 | 57.4° | 175.0° |
| O1 | C8 | H32 | H33 | 120.2° | 120.0° |
| C8 | C17 | C19 | N16 | 124.3° | 120.0° |
| C8 | C17 | C19 | H8 | 116.3° | 120.0° |
| C8 | C17 | N16 | H8 | 117.9° | 120.0° |
| C8 | C17 | C19 | C20 | 174.3° | 176.4° |
| C8 | C17 | N16 | C15 | 132.4° | 81.7° |
| C8 | C17 | C19 | H9 | 65.1° | 63.6° |
| C8 | C17 | C19 | H10 | 53.7° | 56.5° |
| C17 | C8 | H32 | H33 | 120.2° | 120.0° |
| C8 | C17 | N16 | H36 | 47.6° | 98.3° |
| C17 | C8 | O1 | H39 | 180.0° | 180.0° |
| C19 | C17 | N16 | H8 | 118.9° | 120.0° |
| C17 | C19 | C20 | H9 | 120.6° | 120.0° |
| C17 | C19 | C20 | H10 | 120.6° | 120.0° |
| C19 | C17 | N16 | C15 | 104.4° | 158.3° |
| C17 | C19 | C20 | C24 | 173.0° | 179.9° |
| C17 | C19 | C20 | C21 | 71.3° | 65.1° |
| C17 | C19 | H9 | H10 | 118.2° | 120.0° |
| C17 | C19 | C20 | H11 | 50.2° | 57.4° |
| C19 | C17 | C8 | H32 | 178.7° | 175.0° |
| C19 | C17 | C8 | H33 | 61.1° | 65.0° |
| C19 | C17 | N16 | H36 | 75.6° | 21.6° |
| N16 | C17 | C19 | C20 | 61.4° | 63.6° |
| C17 | N16 | C15 | H36 | 180.0° | 180.0° |
| C17 | N16 | C15 | C14 | 170.5° | 175.1° |
| C17 | N16 | C15 | O38 | 10.1° | 4.8° |
| N16 | C17 | C19 | H9 | 59.2° | 56.4° |
| N16 | C17 | C19 | H10 | 178.0° | 176.5° |
| N16 | C17 | C8 | H32 | 55.9° | 55.0° |
| N16 | C17 | C8 | H33 | 64.3° | 175.1° |
| C19 | C20 | C24 | O26 | 44.8° | 45.1° |
| C19 | C20 | C24 | C21 | 121.0° | 118.7° |
| C19 | C20 | C24 | H11 | 122.5° | 122.6° |
| C19 | C20 | C24 | N23 | 134.7° | 134.9° |
| C19 | C20 | C21 | H11 | 121.5° | 122.5° |
| C19 | C20 | C21 | C22 | 136.3° | 143.5° |
| C20 | C19 | C17 | H8 | 58.0° | 56.4° |
| C20 | C19 | H9 | H10 | 118.2° | 120.0° |
| C19 | C20 | C21 | H12 | 16.9° | 25.4° |
| C19 | C20 | C21 | H13 | 104.2° | 98.4° |
| N16 | C15 | C14 | O38 | 179.4° | 180.0° |
| N16 | C15 | C14 | C34 | 103.2° | 77.4° |
| N16 | C15 | C14 | N13 | 135.8° | 162.6° |
| N16 | C15 | C14 | H6 | 14.4° | 42.6° |
| C15 | N16 | C17 | H8 | 14.5° | 38.4° |
| O26 | C24 | C20 | N23 | 179.5° | 180.0° |
| O26 | C24 | C20 | C21 | 165.8° | 163.8° |
| O26 | C24 | N23 | C22 | 172.4° | 179.6° |
| O26 | C24 | C20 | H11 | 77.7° | 77.6° |
| O26 | C24 | N23 | H38 | 7.6° | 0.4° |
| C36 | C35 | C37 | C34 | 124.1° | 120.0° |
| C36 | C35 | C37 | H22 | 116.9° | 120.0° |
| C36 | C35 | C34 | H22 | 118.1° | 120.0° |
| C36 | C35 | C34 | C14 | 171.8° | 66.3° |
| C36 | C35 | C34 | H20 | 67.6° | 53.7° |
| C36 | C35 | C34 | H21 | 51.3° | 173.6° |
| C35 | C36 | H23 | H24 | 120.0° | 120.0° |
| C35 | C36 | H23 | H25 | 120.0° | 120.0° |
| C35 | C36 | H24 | H25 | 120.0° | 120.0° |
| C36 | C35 | C37 | H26 | 180.0° | 60.0° |
| C36 | C35 | C37 | H27 | 60.0° | 180.0° |
| C36 | C35 | C37 | H28 | 60.0° | 60.0° |
| C37 | C35 | C34 | H22 | 119.1° | 119.9° |
| C37 | C35 | C34 | C14 | 49.0° | 173.6° |
| C37 | C35 | C34 | H20 | 169.6° | 66.3° |
| C37 | C35 | C34 | H21 | 71.5° | 53.6° |
| C37 | C35 | C36 | H23 | 180.0° | 56.7° |
| C37 | C35 | C36 | H24 | 60.0° | 63.3° |
| C37 | C35 | C36 | H25 | 60.0° | 176.7° |
| C35 | C37 | H26 | H27 | 120.0° | 120.0° |
| C35 | C37 | H26 | H28 | 120.0° | 120.0° |
| C35 | C37 | H27 | H28 | 120.0° | 120.0° |
| C35 | C34 | C14 | C15 | 136.0° | 64.0° |
| C35 | C34 | C14 | H20 | 120.6° | 120.0° |
| C35 | C34 | C14 | H21 | 120.6° | 120.0° |
| C35 | C34 | C14 | N13 | 101.5° | 176.0° |
| C35 | C34 | C14 | H6 | 18.2° | 56.0° |
| C35 | C34 | H20 | H21 | 118.3° | 120.0° |
| C34 | C35 | C36 | H23 | 55.2° | 63.3° |
| C34 | C35 | C36 | H24 | 175.2° | 176.7° |
| C34 | C35 | C36 | H25 | 64.9° | 56.7° |
| C34 | C35 | C37 | H26 | 55.9° | 60.0° |
| C34 | C35 | C37 | H27 | 64.1° | 60.0° |
| C34 | C35 | C37 | H28 | 175.9° | 180.0° |
| C24 | C20 | C21 | H11 | 116.8° | 118.7° |
| C20 | C24 | N23 | C22 | 7.1° | 0.4° |
| C24 | C20 | C21 | C22 | 14.6° | 24.7° |
| C24 | C20 | C19 | H9 | 52.4° | 60.1° |
| C24 | C20 | C19 | H10 | 66.4° | 59.9° |
| C24 | C20 | C21 | H12 | 104.8° | 93.4° |
| C24 | C20 | C21 | H13 | 134.1° | 142.9° |
| C20 | C24 | N23 | H38 | 172.9° | 179.6° |
| N23 | C24 | C20 | C21 | 13.7° | 16.2° |
| C24 | N23 | C22 | H38 | 180.0° | 180.0° |
| C24 | N23 | C22 | C21 | 2.9° | 17.0° |
| N23 | C24 | C20 | H11 | 102.8° | 102.4° |
| C24 | N23 | C22 | H14 | 116.4° | 136.0° |
| C24 | N23 | C22 | H15 | 122.2° | 102.0° |
| C20 | C21 | C22 | N23 | 11.2° | 25.4° |
| C20 | C21 | C22 | H12 | 119.5° | 118.1° |
| C20 | C21 | C22 | H13 | 119.4° | 118.1° |
| C21 | C20 | C19 | H9 | 168.1° | 174.9° |
| C21 | C20 | C19 | H10 | 49.3° | 54.9° |
| C20 | C21 | H12 | H13 | 121.6° | 123.8° |
| C20 | C21 | C22 | H14 | 108.1° | 144.4° |
| C20 | C21 | C22 | H15 | 130.5° | 93.7° |
| C15 | C14 | C34 | N13 | 122.4° | 120.0° |
| C15 | C14 | C34 | H6 | 117.8° | 120.1° |
| C15 | C14 | N13 | H6 | 121.0° | 120.0° |
| C15 | C14 | N13 | C12 | 53.4° | 158.4° |
| C15 | C14 | C34 | H20 | 15.4° | 175.9° |
| C15 | C14 | C34 | H21 | 103.4° | 56.0° |
| C15 | C14 | N13 | H35 | 126.6° | 21.5° |
| C14 | C15 | N16 | H36 | 9.5° | 4.9° |
| O38 | C15 | C14 | C34 | 76.1° | 102.6° |
| O38 | C15 | C14 | N13 | 44.8° | 17.4° |
| O38 | C15 | C14 | H6 | 166.2° | 137.4° |
| O38 | C15 | N16 | H36 | 169.9° | 175.2° |
| C34 | C14 | N13 | H6 | 119.2° | 120.0° |
| C34 | C14 | N13 | C12 | 173.2° | 81.6° |
| C14 | C34 | H20 | H21 | 118.2° | 120.0° |
| C14 | C34 | C35 | H22 | 70.1° | 53.7° |
| C34 | C14 | N13 | H35 | 6.9° | 98.5° |
| C14 | N13 | C12 | O33 | 33.3° | 5.0° |
| C14 | N13 | C12 | H35 | 180.0° | 180.0° |
| C14 | N13 | C12 | C11 | 146.8° | 174.9° |
| N13 | C14 | C34 | H20 | 137.9° | 56.0° |
| N13 | C14 | C34 | H21 | 19.0° | 64.0° |
| N23 | C22 | C21 | H14 | 119.3° | 119.0° |
| N23 | C22 | C21 | H15 | 119.3° | 119.1° |
| N23 | C22 | C21 | H12 | 108.3° | 92.7° |
| N23 | C22 | C21 | H13 | 130.6° | 143.5° |
| N23 | C22 | H14 | H15 | 122.0° | 122.1° |
| C22 | C21 | C20 | H11 | 102.2° | 94.0° |
| C22 | C21 | H12 | H13 | 121.6° | 123.8° |
| C21 | C22 | H14 | H15 | 122.0° | 121.9° |
| C21 | C22 | N23 | H38 | 177.1° | 163.0° |
| O33 | C12 | N13 | C11 | 179.9° | 180.0° |
| O33 | C12 | C11 | C30 | 42.2° | 104.4° |
| O33 | C12 | C11 | N10 | 81.7° | 15.6° |
| O33 | C12 | C11 | H4 | 161.2° | 135.7° |
| O33 | C12 | N13 | H35 | 146.7° | 174.9° |
| N13 | C12 | C11 | C30 | 137.9° | 75.6° |
| N13 | C12 | C11 | N10 | 98.3° | 164.3° |
| N13 | C12 | C11 | H4 | 18.9° | 44.3° |
| C12 | N13 | C14 | H6 | 67.7° | 38.4° |
| C12 | C11 | C30 | N10 | 123.7° | 120.0° |
| C12 | C11 | C30 | H4 | 119.1° | 120.0° |
| C12 | C11 | N10 | H4 | 116.5° | 120.0° |
| C12 | C11 | C30 | C32 | 95.4° | 60.0° |
| C12 | C11 | C30 | C10 | 140.2° | 180.0° |
| C12 | C11 | N10 | C9 | 76.5° | 155.0° |
| C12 | C11 | C30 | H16 | 22.8° | 60.0° |
| C12 | C11 | N10 | H34 | 103.5° | 25.1° |
| C11 | C12 | N13 | H35 | 33.2° | 5.1° |
| C30 | C11 | N10 | H4 | 116.4° | 120.0° |
| C11 | C30 | C32 | C10 | 125.3° | 120.0° |
| C11 | C30 | C32 | H16 | 118.1° | 120.0° |
| C11 | C30 | C10 | H16 | 117.3° | 120.0° |
| C30 | C11 | N10 | C9 | 156.3° | 85.0° |
| C11 | C30 | C10 | H1 | 180.0° | 60.0° |
| C11 | C30 | C10 | H2 | 60.0° | 180.0° |
| C11 | C30 | C10 | H3 | 60.0° | 60.0° |
| C11 | C30 | C32 | H17 | 180.0° | 56.6° |
| C11 | C30 | C32 | H18 | 60.0° | 176.6° |
| C11 | C30 | C32 | H19 | 60.0° | 63.4° |
| C30 | C11 | N10 | H34 | 23.6° | 95.0° |
| N10 | C11 | C30 | C32 | 140.9° | 180.0° |
| N10 | C11 | C30 | C10 | 16.4° | 60.0° |
| C11 | N10 | C9 | H34 | 180.0° | 179.9° |
| C11 | N10 | C9 | O29 | 22.7° | 0.0° |
| C11 | N10 | C9 | C1 | 155.2° | 180.0° |
| N10 | C11 | C30 | H16 | 100.9° | 60.0° |
| C3 | C16 | C13 | H7 | 180.0° | 179.9° |
| C16 | C3 | N2 | C4 | 179.6° | 179.5° |
| C16 | C3 | N2 | C1 | 179.8° | 179.8° |
| C3 | C16 | C13 | C7 | 1.1° | 0.1° |
| C16 | C3 | C4 | C5 | 179.9° | 180.0° |
| C16 | C3 | C4 | C6 | 0.6° | 0.0° |
| C3 | C16 | C13 | H5 | 178.9° | 179.9° |
| C16 | C3 | N2 | H37 | 0.2° | 0.4° |
| C13 | C16 | C3 | N2 | 179.8° | 179.5° |
| C13 | C16 | C3 | C4 | 0.6° | 0.0° |
| C16 | C13 | C7 | H5 | 180.0° | 179.8° |
| C16 | C13 | C7 | C6 | 1.4° | 0.1° |
| C16 | C13 | C7 | H31 | 178.6° | 180.0° |
| C3 | N2 | C1 | H37 | 180.0° | 179.8° |
| C3 | N2 | C1 | C9 | 180.0° | 179.7° |
| C3 | N2 | C1 | C5 | 0.1° | 0.1° |
| N2 | C3 | C4 | C5 | 0.2° | 0.4° |
| N2 | C3 | C4 | C6 | 179.7° | 179.6° |
| N2 | C3 | C16 | H7 | 0.2° | 0.5° |
| C1 | N2 | C3 | C4 | 0.2° | 0.2° |
| N2 | C1 | C9 | N10 | 130.2° | 0.4° |
| N2 | C1 | C9 | O29 | 47.7° | 179.7° |
| N2 | C1 | C9 | C5 | 180.0° | 179.6° |
| N2 | C1 | C5 | C4 | 0.1° | 0.3° |
| N2 | C1 | C5 | H29 | 179.9° | 179.8° |
| C32 | C30 | C10 | H16 | 116.5° | 120.0° |
| C32 | C30 | C10 | H1 | 53.8° | 180.0° |
| C32 | C30 | C10 | H2 | 66.2° | 60.0° |
| C32 | C30 | C10 | H3 | 173.8° | 60.1° |
| C32 | C30 | C11 | H4 | 23.8° | 60.0° |
| C30 | C32 | H17 | H18 | 120.0° | 120.0° |
| C30 | C32 | H17 | H19 | 120.0° | 120.0° |
| C30 | C32 | H18 | H19 | 120.0° | 120.1° |
| C30 | C10 | H1 | H2 | 120.0° | 120.0° |
| C30 | C10 | H1 | H3 | 120.0° | 120.0° |
| C30 | C10 | H2 | H3 | 119.9° | 120.0° |
| C10 | C30 | C11 | H4 | 100.7° | 60.0° |
| C10 | C30 | C32 | H17 | 54.7° | 63.4° |
| C10 | C30 | C32 | H18 | 174.7° | 56.6° |
| C10 | C30 | C32 | H19 | 65.3° | 176.6° |
| C3 | C4 | C5 | C1 | 0.2° | 0.4° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C3 | C4 | C6 | C7 | 1.0° | 0.0° |
| C4 | C3 | C16 | H7 | 179.4° | 180.0° |
| C3 | C4 | C5 | H29 | 179.8° | 179.6° |
| C3 | C4 | C6 | H30 | 179.0° | 180.0° |
| C4 | C3 | N2 | H37 | 179.8° | 180.0° |
| N10 | C9 | O29 | C1 | 177.9° | 180.0° |
| N10 | C9 | C1 | C5 | 49.8° | 180.0° |
| C9 | N10 | C11 | H4 | 40.0° | 35.0° |
| C13 | C7 | C6 | C4 | 1.3° | 0.0° |
| C13 | C7 | C6 | H31 | 180.0° | 180.0° |
| C7 | C13 | C16 | H7 | 178.9° | 180.0° |
| C13 | C7 | C6 | H30 | 178.7° | 180.0° |
| O29 | C9 | C1 | C5 | 132.3° | 0.1° |
| O29 | C9 | N10 | H34 | 157.3° | 179.9° |
| C9 | C1 | C5 | C4 | 179.9° | 180.0° |
| C9 | C1 | C5 | H29 | 0.1° | 0.1° |
| C1 | C9 | N10 | H34 | 24.8° | 0.1° |
| C9 | C1 | N2 | H37 | 0.0° | 0.1° |
| C1 | C5 | C4 | H29 | 180.0° | 179.9° |
| C1 | C5 | C4 | C6 | 179.6° | 179.5° |
| C5 | C1 | N2 | H37 | 180.0° | 179.7° |
| C5 | C4 | C6 | C7 | 179.7° | 180.0° |
| C5 | C4 | C6 | H30 | 0.3° | 0.0° |
| C4 | C6 | C7 | H30 | 180.0° | 180.0° |
| C6 | C4 | C5 | H29 | 0.4° | 0.4° |
| C4 | C6 | C7 | H31 | 178.7° | 180.0° |
| C6 | C7 | C13 | H5 | 178.6° | 179.9° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C30 | H16 | 62.7° | 60.0° |
| H2 | C10 | C30 | H16 | 177.3° | 60.0° |
| H3 | C10 | C30 | H16 | 57.3° | 179.9° |
| H4 | C11 | C30 | H16 | 141.9° | 180.0° |
| H4 | C11 | N10 | H34 | 140.0° | 145.1° |
| H5 | C13 | C16 | H7 | 1.1° | 0.1° |
| H5 | C13 | C7 | H31 | 1.4° | 0.1° |
| H6 | C14 | C34 | H20 | 102.4° | 64.0° |
| H6 | C14 | C34 | H21 | 138.7° | 176.0° |
| H6 | C14 | N13 | H35 | 112.3° | 141.5° |
| H8 | C17 | C19 | H9 | 178.6° | 176.4° |
| H8 | C17 | C19 | H10 | 62.6° | 63.5° |
| H8 | C17 | C8 | H32 | 62.5° | 65.0° |
| H8 | C17 | C8 | H33 | 177.4° | 55.0° |
| H8 | C17 | N16 | H36 | 165.5° | 141.6° |
| H9 | C19 | C20 | H11 | 70.3° | 62.6° |
| H10 | C19 | C20 | H11 | 170.8° | 177.4° |
| H11 | C20 | C21 | H12 | 138.4° | 147.9° |
| H11 | C20 | C21 | H13 | 17.3° | 24.1° |
| H12 | C21 | C22 | H14 | 132.4° | 26.3° |
| H12 | C21 | C22 | H15 | 11.1° | 148.2° |
| H13 | C21 | C22 | H14 | 11.3° | 97.5° |
| H13 | C21 | C22 | H15 | 110.1° | 24.4° |
| H14 | C22 | N23 | H38 | 63.6° | 44.0° |
| H15 | C22 | N23 | H38 | 57.8° | 78.0° |
| H16 | C30 | C32 | H17 | 61.9° | 176.6° |
| H16 | C30 | C32 | H18 | 58.1° | 63.4° |
| H16 | C30 | C32 | H19 | 178.2° | 56.6° |
| H17 | C32 | H18 | H19 | 120.0° | 119.9° |
| H20 | C34 | C35 | H22 | 50.5° | 173.7° |
| H21 | C34 | C35 | H22 | 169.4° | 66.3° |
| H22 | C35 | C36 | H23 | 63.0° | 176.7° |
| H22 | C35 | C36 | H24 | 57.0° | 56.7° |
| H22 | C35 | C36 | H25 | 177.0° | 63.3° |
| H22 | C35 | C37 | H26 | 63.1° | 180.0° |
| H22 | C35 | C37 | H27 | 176.9° | 60.0° |
| H22 | C35 | C37 | H28 | 56.9° | 60.1° |
| H23 | C36 | H24 | H25 | 120.0° | 120.0° |
| H26 | C37 | H27 | H28 | 120.0° | 120.0° |
| H30 | C6 | C7 | H31 | 1.3° | 0.0° |
| H32 | C8 | O1 | H39 | 60.1° | 60.0° |
| H33 | C8 | O1 | H39 | 60.0° | 60.1° |
