7XT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C11 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C16 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O38 | C15 | doub | 1.21Å | 1.21Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| N13 | C12 | sing | 1.35Å | 1.35Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| N10 | C9 | sing | 1.35Å | 1.34Å | |
| C36 | C35 | sing | 1.53Å | 1.51Å | |
| C34 | C14 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.22Å | |
| C9 | O8 | sing | 1.35Å | 1.47Å | |
| C9 | O29 | doub | 1.21Å | 1.20Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| O8 | C7 | sing | 1.45Å | 1.43Å | |
| C35 | C23 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.46Å | |
| C17 | N16 | sing | 1.46Å | 1.46Å | |
| C17 | C27 | sing | 1.53Å | 1.51Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C27 | O28 | sing | 1.43Å | 1.44Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C20 | C24 | sing | 1.51Å | 1.50Å | |
| N23 | C24 | sing | 1.34Å | 1.33Å | |
| C24 | O26 | doub | 1.21Å | 1.24Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å | |
| C5 | H35 | sing | 1.08Å | 1.08Å | |
| C6 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C7 | H38 | sing | 1.09Å | 1.10Å | |
| N10 | H39 | sing | 0.97Å | 1.00Å | |
| N13 | H40 | sing | 0.97Å | 1.00Å | |
| N16 | H41 | sing | 0.97Å | 1.00Å | |
| O28 | H42 | sing | 0.97Å | 0.95Å | |
| C22 | H43 | sing | 1.09Å | 1.10Å | |
| N23 | H44 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C6 | C5 | 118.3° | 120.0° |
| C6 | C1 | C2 | 120.4° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C1 | C6 | H36 | 120.9° | 120.0° |
| C6 | C5 | C4 | 121.7° | 120.0° |
| C6 | C5 | H35 | 119.2° | 120.0° |
| C5 | C6 | H36 | 120.9° | 120.0° |
| C1 | C2 | C3 | 120.8° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C1 | C2 | H13 | 119.6° | 120.0° |
| C30 | C11 | C10 | 103.1° | 109.5° |
| C30 | C11 | N10 | 109.9° | 109.5° |
| C30 | C11 | C12 | 106.9° | 109.5° |
| C11 | C30 | H24 | 109.5° | 109.5° |
| C11 | C30 | H25 | 109.5° | 109.4° |
| C11 | C30 | H26 | 109.5° | 109.5° |
| C5 | C4 | C3 | 119.8° | 120.0° |
| C5 | C4 | C7 | 119.0° | 120.0° |
| C4 | C5 | H35 | 119.2° | 120.0° |
| C13 | C10 | C11 | 112.7° | 109.5° |
| C13 | C10 | C16 | 113.2° | 109.5° |
| C13 | C10 | H2 | 105.5° | 109.5° |
| C10 | C13 | H3 | 109.5° | 109.4° |
| C10 | C13 | H4 | 109.5° | 109.4° |
| C10 | C13 | H5 | 109.5° | 109.5° |
| C11 | C10 | C16 | 113.4° | 109.5° |
| C10 | C11 | N10 | 109.3° | 109.4° |
| C10 | C11 | C12 | 114.0° | 109.4° |
| C11 | C10 | H2 | 105.5° | 109.5° |
| C16 | C10 | H2 | 105.6° | 109.4° |
| C10 | C16 | H7 | 109.5° | 109.5° |
| C10 | C16 | H8 | 109.5° | 109.4° |
| C10 | C16 | H9 | 109.5° | 109.5° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C3 | C2 | H13 | 119.6° | 120.1° |
| C2 | C3 | H23 | 120.5° | 119.9° |
| O38 | C15 | C14 | 118.5° | 120.0° |
| O38 | C15 | N16 | 121.4° | 120.0° |
| N10 | C11 | C12 | 113.0° | 109.5° |
| C11 | N10 | C9 | 120.8° | 120.0° |
| C11 | N10 | H39 | 119.6° | 120.0° |
| C11 | C12 | N13 | 116.5° | 120.0° |
| C11 | C12 | O33 | 121.7° | 119.9° |
| C12 | N13 | C14 | 122.6° | 120.0° |
| N13 | C12 | O33 | 121.8° | 120.1° |
| C12 | N13 | H40 | 118.7° | 120.0° |
| N13 | C14 | C34 | 112.4° | 109.5° |
| N13 | C14 | C15 | 106.4° | 109.5° |
| N13 | C14 | H6 | 110.7° | 109.5° |
| C14 | N13 | H40 | 118.7° | 120.0° |
| C3 | C4 | C7 | 121.2° | 120.0° |
| C4 | C3 | H23 | 120.5° | 120.0° |
| C4 | C7 | O8 | 104.2° | 109.5° |
| C4 | C7 | H37 | 110.7° | 109.5° |
| C4 | C7 | H38 | 110.8° | 109.4° |
| N10 | C9 | O8 | 125.3° | 120.0° |
| N10 | C9 | O29 | 121.7° | 120.0° |
| C9 | N10 | H39 | 119.6° | 120.0° |
| C36 | C35 | C34 | 110.9° | 109.5° |
| C36 | C35 | C37 | 106.8° | 109.4° |
| C36 | C35 | C23 | 109.7° | 109.5° |
| C35 | C36 | H29 | 109.5° | 109.4° |
| C35 | C36 | H30 | 109.5° | 109.5° |
| C35 | C36 | H31 | 109.5° | 109.5° |
| C14 | C34 | C35 | 118.6° | 109.4° |
| C34 | C14 | C15 | 107.4° | 109.5° |
| C34 | C14 | H6 | 109.6° | 109.5° |
| C14 | C34 | H27 | 107.1° | 109.5° |
| C14 | C34 | H28 | 107.1° | 109.5° |
| C34 | C35 | C37 | 110.3° | 109.5° |
| C34 | C35 | C23 | 111.9° | 109.5° |
| C35 | C34 | H27 | 107.2° | 109.5° |
| C35 | C34 | H28 | 107.2° | 109.5° |
| C37 | C35 | C23 | 107.0° | 109.5° |
| C35 | C37 | H32 | 109.5° | 109.5° |
| C35 | C37 | H33 | 109.4° | 109.5° |
| C35 | C37 | H34 | 109.4° | 109.5° |
| O8 | C9 | O29 | 113.0° | 120.0° |
| C9 | O8 | C7 | 129.1° | 117.0° |
| C14 | C15 | N16 | 120.0° | 120.0° |
| C15 | C14 | H6 | 110.2° | 109.4° |
| C15 | N16 | C17 | 120.2° | 120.0° |
| C15 | N16 | H41 | 119.9° | 120.0° |
| O8 | C7 | H37 | 110.8° | 109.5° |
| O8 | C7 | H38 | 110.8° | 109.4° |
| C35 | C23 | H18 | 109.5° | 109.5° |
| C35 | C23 | H19 | 109.4° | 109.5° |
| C35 | C23 | H20 | 109.5° | 109.5° |
| C22 | C21 | C20 | 104.2° | 101.8° |
| C21 | C22 | N23 | 105.9° | 105.5° |
| C22 | C21 | H15 | 110.8° | 111.0° |
| C22 | C21 | H16 | 110.8° | 111.0° |
| C21 | C22 | H17 | 110.4° | 110.3° |
| C21 | C22 | H43 | 110.4° | 110.2° |
| C21 | C20 | C19 | 107.9° | 110.5° |
| C21 | C20 | C24 | 106.3° | 104.2° |
| C21 | C20 | H14 | 110.9° | 110.6° |
| C20 | C21 | H15 | 110.8° | 111.0° |
| C20 | C21 | H16 | 110.8° | 111.0° |
| C22 | N23 | C24 | 113.8° | 111.3° |
| N23 | C22 | H17 | 110.4° | 110.3° |
| N23 | C22 | H43 | 110.4° | 110.2° |
| C22 | N23 | H44 | 123.1° | 124.4° |
| N16 | C17 | C27 | 111.2° | 109.4° |
| N16 | C17 | C19 | 112.9° | 109.5° |
| N16 | C17 | H10 | 110.0° | 109.5° |
| C17 | N16 | H41 | 119.9° | 120.0° |
| C27 | C17 | C19 | 104.3° | 109.5° |
| C17 | C27 | O28 | 103.9° | 109.5° |
| C27 | C17 | H10 | 109.2° | 109.5° |
| C17 | C27 | H21 | 110.8° | 109.5° |
| C17 | C27 | H22 | 110.9° | 109.4° |
| C17 | C19 | C20 | 113.4° | 109.5° |
| C19 | C17 | H10 | 109.0° | 109.5° |
| C17 | C19 | H11 | 108.5° | 109.5° |
| C17 | C19 | H12 | 108.5° | 109.5° |
| O28 | C27 | H21 | 110.8° | 109.5° |
| O28 | C27 | H22 | 110.9° | 109.4° |
| C27 | O28 | H42 | 109.5° | 113.9° |
| C19 | C20 | C24 | 109.3° | 110.5° |
| C20 | C19 | H11 | 108.5° | 109.5° |
| C20 | C19 | H12 | 108.5° | 109.5° |
| C19 | C20 | H14 | 111.2° | 110.4° |
| C20 | C24 | N23 | 108.8° | 110.1° |
| C20 | C24 | O26 | 125.0° | 124.9° |
| C24 | C20 | H14 | 111.2° | 110.5° |
| N23 | C24 | O26 | 126.2° | 124.9° |
| C24 | N23 | H44 | 123.1° | 124.3° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.5° |
| H7 | C16 | H9 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.4° | 109.4° |
| H15 | C21 | H16 | 109.4° | 110.9° |
| H17 | C22 | H43 | 109.5° | 110.3° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.4° | 109.4° |
| H24 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H27 | C34 | H28 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H31 | 109.4° | 109.5° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H32 | C37 | H34 | 109.5° | 109.5° |
| H33 | C37 | H34 | 109.5° | 109.4° |
| H37 | C7 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C6 | C5 | H36 | 180.0° | 179.4° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.5° |
| C6 | C1 | C2 | C3 | 0.1° | 0.3° |
| C6 | C1 | C2 | H13 | 179.9° | 179.8° |
| C1 | C6 | C5 | H35 | 179.8° | 179.7° |
| C5 | C6 | C1 | C2 | 0.2° | 0.6° |
| C6 | C5 | C4 | H35 | 180.0° | 179.7° |
| C6 | C5 | C4 | C3 | 0.0° | 0.2° |
| C6 | C5 | C4 | C7 | 179.2° | 179.7° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H23 | 180.0° | 179.9° |
| C2 | C1 | C6 | H36 | 179.8° | 180.0° |
| C30 | C11 | C10 | C13 | 85.2° | 65.1° |
| C30 | C11 | C10 | N10 | 116.9° | 120.0° |
| C30 | C11 | C10 | C12 | 115.5° | 120.0° |
| C30 | C11 | C10 | C16 | 144.6° | 54.9° |
| C30 | C11 | N10 | C12 | 119.4° | 120.1° |
| C30 | C11 | C12 | N13 | 6.1° | 156.3° |
| C30 | C11 | N10 | C9 | 56.1° | 51.4° |
| C30 | C11 | C12 | O33 | 174.4° | 23.6° |
| C30 | C11 | C10 | H2 | 29.5° | 174.9° |
| C11 | C30 | H24 | H25 | 120.0° | 120.0° |
| C11 | C30 | H24 | H26 | 120.0° | 120.0° |
| C11 | C30 | H25 | H26 | 120.0° | 120.0° |
| C30 | C11 | N10 | H39 | 123.8° | 128.5° |
| C5 | C4 | C3 | C2 | 0.1° | 0.1° |
| C5 | C4 | C3 | C7 | 179.2° | 180.0° |
| C5 | C4 | C7 | O8 | 2.5° | 90.0° |
| C5 | C4 | C3 | H23 | 179.9° | 180.0° |
| C4 | C5 | C6 | H36 | 179.9° | 180.0° |
| C5 | C4 | C7 | H37 | 121.7° | 30.0° |
| C5 | C4 | C7 | H38 | 116.6° | 150.0° |
| C13 | C10 | C11 | C16 | 130.3° | 120.0° |
| C13 | C10 | C11 | H2 | 114.6° | 120.0° |
| C13 | C10 | C16 | H2 | 114.9° | 120.0° |
| C13 | C10 | C11 | N10 | 157.9° | 174.9° |
| C13 | C10 | C11 | C12 | 30.4° | 54.9° |
| C10 | C13 | H3 | H4 | 120.0° | 120.0° |
| C10 | C13 | H3 | H5 | 120.0° | 120.0° |
| C10 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C10 | C16 | H7 | 180.0° | 168.2° |
| C13 | C10 | C16 | H8 | 60.0° | 48.2° |
| C13 | C10 | C16 | H9 | 60.0° | 71.7° |
| C11 | C10 | C16 | H2 | 115.0° | 120.0° |
| C10 | C11 | N10 | C12 | 128.1° | 119.9° |
| C10 | C11 | C12 | N13 | 119.4° | 83.7° |
| C10 | C11 | N10 | C9 | 168.7° | 68.5° |
| C10 | C11 | C12 | O33 | 61.1° | 96.4° |
| C11 | C10 | C13 | H3 | 180.0° | 64.4° |
| C11 | C10 | C13 | H4 | 60.0° | 175.6° |
| C11 | C10 | C13 | H5 | 60.0° | 55.7° |
| C11 | C10 | C16 | H7 | 50.0° | 71.8° |
| C11 | C10 | C16 | H8 | 70.1° | 168.2° |
| C11 | C10 | C16 | H9 | 170.0° | 48.2° |
| C10 | C11 | C30 | H24 | 180.0° | 60.0° |
| C10 | C11 | C30 | H25 | 60.0° | 180.0° |
| C10 | C11 | C30 | H26 | 60.0° | 60.0° |
| C10 | C11 | N10 | H39 | 11.3° | 111.5° |
| C16 | C10 | C11 | N10 | 27.6° | 65.1° |
| C16 | C10 | C11 | C12 | 99.9° | 175.0° |
| C16 | C10 | C13 | H3 | 49.6° | 55.6° |
| C16 | C10 | C13 | H4 | 70.4° | 64.4° |
| C16 | C10 | C13 | H5 | 169.6° | 175.6° |
| C10 | C16 | H7 | H8 | 120.0° | 120.0° |
| C10 | C16 | H7 | H9 | 120.0° | 120.1° |
| C10 | C16 | H8 | H9 | 120.0° | 120.0° |
| C2 | C3 | C4 | H23 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 179.1° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| O38 | C15 | C14 | N13 | 36.9° | 10.0° |
| O38 | C15 | C14 | C34 | 83.7° | 110.1° |
| O38 | C15 | C14 | N16 | 178.8° | 180.0° |
| O38 | C15 | N16 | C17 | 10.1° | 0.0° |
| O38 | C15 | C14 | H6 | 156.9° | 129.9° |
| O38 | C15 | N16 | H41 | 169.8° | 179.9° |
| N10 | C11 | C12 | N13 | 115.0° | 36.3° |
| C11 | N10 | C9 | H39 | 180.0° | 179.9° |
| N10 | C11 | C12 | O33 | 64.5° | 143.7° |
| C11 | N10 | C9 | O8 | 153.6° | 173.6° |
| C11 | N10 | C9 | O29 | 23.5° | 6.3° |
| N10 | C11 | C10 | H2 | 87.5° | 54.9° |
| N10 | C11 | C30 | H24 | 63.6° | 180.0° |
| N10 | C11 | C30 | H25 | 56.4° | 60.0° |
| N10 | C11 | C30 | H26 | 176.4° | 60.0° |
| C11 | C12 | N13 | O33 | 179.5° | 180.0° |
| C11 | C12 | N13 | C14 | 169.9° | 175.5° |
| C12 | C11 | N10 | C9 | 63.2° | 171.5° |
| C12 | C11 | C10 | H2 | 145.0° | 65.1° |
| C12 | C11 | C30 | H24 | 59.5° | 60.0° |
| C12 | C11 | C30 | H25 | 179.5° | 60.0° |
| C12 | C11 | C30 | H26 | 60.5° | 180.0° |
| C12 | C11 | N10 | H39 | 116.8° | 8.4° |
| C11 | C12 | N13 | H40 | 10.1° | 4.6° |
| C12 | N13 | C14 | H40 | 180.0° | 180.0° |
| C12 | N13 | C14 | C34 | 154.8° | 72.0° |
| C12 | N13 | C14 | C15 | 87.9° | 167.9° |
| C12 | N13 | C14 | H6 | 31.8° | 48.0° |
| N13 | C14 | C34 | C15 | 116.7° | 120.0° |
| N13 | C14 | C34 | H6 | 123.6° | 120.0° |
| N13 | C14 | C34 | C35 | 85.1° | 64.4° |
| C14 | N13 | C12 | O33 | 9.6° | 4.6° |
| N13 | C14 | C15 | H6 | 120.1° | 120.0° |
| N13 | C14 | C15 | N16 | 144.3° | 170.1° |
| N13 | C14 | C34 | H27 | 36.2° | 175.6° |
| N13 | C14 | C34 | H28 | 153.6° | 55.5° |
| C3 | C4 | C7 | O8 | 176.7° | 90.0° |
| C4 | C3 | C2 | H13 | 180.0° | 179.9° |
| C3 | C4 | C5 | H35 | 180.0° | 180.0° |
| C3 | C4 | C7 | H37 | 57.5° | 150.1° |
| C3 | C4 | C7 | H38 | 64.2° | 30.0° |
| C4 | C7 | O8 | C9 | 120.8° | 180.0° |
| C4 | C7 | O8 | H37 | 119.2° | 120.0° |
| C4 | C7 | O8 | H38 | 119.2° | 120.0° |
| C7 | C4 | C3 | H23 | 0.9° | 0.1° |
| C7 | C4 | C5 | H35 | 0.8° | 0.0° |
| C4 | C7 | H37 | H38 | 122.4° | 120.0° |
| N10 | C9 | O8 | O29 | 177.3° | 179.9° |
| N10 | C9 | O8 | C7 | 45.9° | 180.0° |
| C36 | C35 | C34 | C14 | 67.3° | 50.3° |
| C36 | C35 | C34 | C37 | 118.1° | 120.0° |
| C36 | C35 | C34 | C23 | 122.9° | 120.0° |
| C36 | C35 | C37 | C23 | 117.5° | 120.0° |
| C36 | C35 | C23 | H18 | 180.0° | 169.0° |
| C36 | C35 | C23 | H19 | 60.0° | 71.0° |
| C36 | C35 | C23 | H20 | 60.0° | 49.0° |
| C36 | C35 | C34 | H27 | 54.0° | 170.3° |
| C36 | C35 | C34 | H28 | 171.4° | 69.7° |
| C35 | C36 | H29 | H30 | 120.0° | 120.0° |
| C35 | C36 | H29 | H31 | 120.0° | 120.0° |
| C35 | C36 | H30 | H31 | 120.0° | 120.0° |
| C36 | C35 | C37 | H32 | 180.0° | 60.0° |
| C36 | C35 | C37 | H33 | 60.0° | 60.0° |
| C36 | C35 | C37 | H34 | 60.0° | 180.0° |
| C14 | C34 | C35 | H27 | 121.3° | 120.0° |
| C14 | C34 | C35 | H28 | 121.3° | 120.0° |
| C14 | C34 | C35 | C37 | 174.6° | 170.2° |
| C34 | C14 | C15 | H6 | 119.3° | 120.0° |
| C34 | C14 | C15 | N16 | 95.1° | 69.9° |
| C14 | C34 | C35 | C23 | 55.5° | 69.7° |
| C14 | C34 | H27 | H28 | 115.8° | 120.0° |
| C34 | C14 | N13 | H40 | 25.1° | 108.0° |
| C34 | C35 | C37 | C23 | 122.0° | 120.0° |
| C35 | C34 | C14 | C15 | 158.1° | 55.6° |
| C35 | C34 | C14 | H6 | 38.5° | 175.6° |
| C34 | C35 | C23 | H18 | 56.5° | 49.0° |
| C34 | C35 | C23 | H19 | 63.5° | 169.0° |
| C34 | C35 | C23 | H20 | 176.5° | 71.0° |
| C35 | C34 | H27 | H28 | 115.9° | 120.0° |
| C34 | C35 | C36 | H29 | 180.0° | 76.6° |
| C34 | C35 | C36 | H30 | 60.0° | 163.5° |
| C34 | C35 | C36 | H31 | 60.0° | 43.4° |
| C34 | C35 | C37 | H32 | 59.4° | 60.0° |
| C34 | C35 | C37 | H33 | 179.4° | 180.0° |
| C34 | C35 | C37 | H34 | 60.6° | 60.0° |
| C37 | C35 | C23 | H18 | 64.5° | 71.0° |
| C37 | C35 | C23 | H19 | 175.5° | 49.0° |
| C37 | C35 | C23 | H20 | 55.5° | 169.0° |
| C37 | C35 | C34 | H27 | 64.2° | 69.7° |
| C37 | C35 | C34 | H28 | 53.3° | 50.3° |
| C37 | C35 | C36 | H29 | 59.7° | 163.5° |
| C37 | C35 | C36 | H30 | 179.7° | 43.5° |
| C37 | C35 | C36 | H31 | 60.2° | 76.5° |
| C35 | C37 | H32 | H33 | 120.0° | 120.1° |
| C35 | C37 | H32 | H34 | 120.0° | 120.0° |
| C35 | C37 | H33 | H34 | 120.0° | 120.0° |
| O33 | C12 | N13 | H40 | 170.4° | 175.4° |
| C9 | O8 | C7 | H37 | 1.7° | 60.0° |
| C9 | O8 | C7 | H38 | 120.0° | 60.1° |
| O8 | C9 | N10 | H39 | 26.4° | 6.5° |
| O29 | C9 | O8 | C7 | 136.8° | 0.1° |
| O29 | C9 | N10 | H39 | 156.5° | 173.6° |
| C14 | C15 | N16 | C17 | 171.1° | 180.0° |
| C15 | C14 | C34 | H27 | 80.6° | 64.4° |
| C15 | C14 | C34 | H28 | 36.9° | 175.6° |
| C15 | C14 | N13 | H40 | 92.1° | 12.0° |
| C14 | C15 | N16 | H41 | 9.0° | 0.0° |
| C15 | N16 | C17 | H41 | 180.0° | 180.0° |
| C15 | N16 | C17 | C27 | 131.6° | 85.0° |
| C15 | N16 | C17 | C19 | 111.6° | 155.0° |
| N16 | C15 | C14 | H6 | 24.2° | 50.1° |
| C15 | N16 | C17 | H10 | 10.4° | 35.0° |
| O8 | C7 | H37 | H38 | 122.4° | 120.0° |
| C35 | C23 | H18 | H19 | 120.0° | 120.0° |
| C35 | C23 | H18 | H20 | 120.0° | 120.0° |
| C35 | C23 | H19 | H20 | 120.0° | 120.0° |
| C23 | C35 | C34 | H27 | 176.8° | 50.3° |
| C23 | C35 | C34 | H28 | 65.7° | 170.3° |
| C23 | C35 | C36 | H29 | 55.9° | 43.5° |
| C23 | C35 | C36 | H30 | 64.1° | 76.5° |
| C23 | C35 | C36 | H31 | 175.9° | 163.5° |
| C23 | C35 | C37 | H32 | 62.6° | 180.0° |
| C23 | C35 | C37 | H33 | 57.5° | 59.9° |
| C23 | C35 | C37 | H34 | 177.5° | 60.0° |
| C22 | C21 | C20 | H15 | 119.2° | 118.1° |
| C22 | C21 | C20 | H16 | 119.2° | 118.1° |
| C21 | C22 | N23 | H17 | 119.4° | 119.1° |
| C21 | C22 | N23 | H43 | 119.5° | 118.9° |
| C22 | C21 | C20 | C19 | 126.7° | 93.9° |
| C22 | C21 | C20 | C24 | 9.7° | 24.8° |
| C21 | C22 | N23 | C24 | 1.6° | 17.1° |
| C22 | C21 | C20 | H14 | 111.3° | 143.6° |
| C22 | C21 | H15 | H16 | 122.5° | 123.8° |
| C21 | C22 | H17 | H43 | 121.7° | 121.9° |
| C21 | C22 | N23 | H44 | 178.4° | 163.0° |
| C20 | C21 | C22 | N23 | 5.3° | 25.4° |
| C21 | C20 | C19 | C17 | 79.7° | 178.8° |
| C21 | C20 | C19 | C24 | 115.1° | 114.8° |
| C21 | C20 | C19 | H14 | 121.8° | 122.7° |
| C21 | C20 | C24 | H14 | 120.8° | 118.9° |
| C21 | C20 | C24 | N23 | 11.1° | 16.2° |
| C21 | C20 | C24 | O26 | 167.7° | 163.8° |
| C21 | C20 | C19 | H11 | 159.7° | 61.2° |
| C21 | C20 | C19 | H12 | 40.9° | 58.8° |
| C20 | C21 | H15 | H16 | 122.4° | 123.8° |
| C20 | C21 | C22 | H17 | 124.8° | 93.6° |
| C20 | C21 | C22 | H43 | 114.1° | 144.4° |
| C22 | N23 | C24 | C20 | 8.1° | 0.4° |
| C22 | N23 | C24 | H44 | 180.0° | 180.0° |
| C22 | N23 | C24 | O26 | 170.8° | 179.5° |
| N23 | C22 | C21 | H15 | 124.5° | 143.6° |
| N23 | C22 | C21 | H16 | 113.8° | 92.7° |
| N23 | C22 | H17 | H43 | 121.7° | 122.0° |
| N16 | C17 | C27 | C19 | 122.0° | 120.0° |
| N16 | C17 | C27 | H10 | 121.6° | 120.0° |
| N16 | C17 | C19 | H10 | 122.6° | 120.0° |
| N16 | C17 | C27 | O28 | 170.5° | 65.0° |
| N16 | C17 | C19 | C20 | 52.5° | 65.0° |
| N16 | C17 | C19 | H11 | 68.1° | 55.0° |
| N16 | C17 | C19 | H12 | 173.1° | 175.0° |
| N16 | C17 | C27 | H21 | 51.4° | 55.0° |
| N16 | C17 | C27 | H22 | 70.4° | 175.1° |
| C27 | C17 | C19 | H10 | 116.6° | 120.0° |
| C17 | C27 | O28 | H21 | 119.1° | 120.0° |
| C17 | C27 | O28 | H22 | 119.1° | 119.9° |
| C27 | C17 | C19 | C20 | 173.4° | 175.0° |
| C27 | C17 | C19 | H11 | 52.8° | 65.0° |
| C27 | C17 | C19 | H12 | 66.1° | 55.0° |
| C17 | C27 | H21 | H22 | 122.6° | 120.0° |
| C27 | C17 | N16 | H41 | 48.4° | 95.0° |
| C17 | C27 | O28 | H42 | 180.0° | 180.0° |
| C19 | C17 | C27 | O28 | 48.5° | 55.0° |
| C17 | C19 | C20 | H11 | 120.6° | 120.0° |
| C17 | C19 | C20 | H12 | 120.6° | 120.0° |
| C17 | C19 | C20 | C24 | 165.2° | 66.5° |
| C17 | C19 | H11 | H12 | 118.2° | 120.0° |
| C17 | C19 | C20 | H14 | 42.1° | 56.1° |
| C19 | C17 | C27 | H21 | 70.6° | 175.0° |
| C19 | C17 | C27 | H22 | 167.6° | 65.0° |
| C19 | C17 | N16 | H41 | 68.4° | 25.0° |
| O28 | C27 | C17 | H10 | 67.9° | 175.0° |
| O28 | C27 | H21 | H22 | 122.6° | 120.0° |
| C19 | C20 | C24 | H14 | 123.1° | 122.4° |
| C19 | C20 | C24 | N23 | 127.3° | 102.5° |
| C19 | C20 | C24 | O26 | 51.6° | 77.5° |
| C20 | C19 | C17 | H10 | 70.1° | 55.0° |
| C20 | C19 | H11 | H12 | 118.2° | 120.0° |
| C19 | C20 | C21 | H15 | 114.1° | 24.2° |
| C19 | C20 | C21 | H16 | 7.6° | 148.0° |
| C20 | C24 | N23 | O26 | 178.8° | 180.0° |
| C24 | C20 | C19 | H11 | 44.6° | 53.6° |
| C24 | C20 | C19 | H12 | 74.2° | 173.5° |
| C24 | C20 | C21 | H15 | 128.9° | 142.9° |
| C24 | C20 | C21 | H16 | 109.5° | 93.3° |
| C20 | C24 | N23 | H44 | 171.9° | 179.6° |
| N23 | C24 | C20 | H14 | 109.6° | 135.1° |
| C24 | N23 | C22 | H17 | 117.8° | 102.0° |
| C24 | N23 | C22 | H43 | 121.1° | 136.0° |
| O26 | C24 | C20 | H14 | 71.5° | 44.9° |
| O26 | C24 | N23 | H44 | 9.2° | 0.4° |
| H1 | C1 | C2 | H13 | 0.1° | 0.1° |
| H1 | C1 | C6 | H36 | 0.2° | 0.3° |
| H2 | C10 | C13 | H3 | 65.4° | 175.6° |
| H2 | C10 | C13 | H4 | 174.6° | 55.6° |
| H2 | C10 | C13 | H5 | 54.6° | 64.4° |
| H2 | C10 | C16 | H7 | 65.1° | 48.2° |
| H2 | C10 | C16 | H8 | 174.9° | 71.8° |
| H2 | C10 | C16 | H9 | 54.9° | 168.3° |
| H3 | C13 | H4 | H5 | 120.0° | 120.1° |
| H6 | C14 | C34 | H27 | 159.8° | 55.5° |
| H6 | C14 | C34 | H28 | 82.8° | 64.5° |
| H6 | C14 | N13 | H40 | 148.1° | 132.0° |
| H7 | C16 | H8 | H9 | 120.0° | 120.0° |
| H10 | C17 | C19 | H11 | 169.3° | 175.0° |
| H10 | C17 | C19 | H12 | 50.5° | 65.0° |
| H10 | C17 | C27 | H21 | 173.0° | 65.0° |
| H10 | C17 | C27 | H22 | 51.2° | 55.1° |
| H10 | C17 | N16 | H41 | 169.6° | 145.0° |
| H11 | C19 | C20 | H14 | 78.5° | 176.1° |
| H12 | C19 | C20 | H14 | 162.7° | 64.0° |
| H13 | C2 | C3 | H23 | 0.0° | 0.0° |
| H14 | C20 | C21 | H15 | 7.9° | 98.3° |
| H14 | C20 | C21 | H16 | 129.5° | 25.4° |
| H15 | C21 | C22 | H17 | 116.1° | 24.5° |
| H15 | C21 | C22 | H43 | 5.1° | 97.5° |
| H16 | C21 | C22 | H17 | 5.6° | 148.2° |
| H16 | C21 | C22 | H43 | 126.7° | 26.3° |
| H17 | C22 | N23 | H44 | 62.2° | 78.0° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
| H21 | C27 | O28 | H42 | 60.9° | 60.0° |
| H22 | C27 | O28 | H42 | 60.9° | 60.0° |
| H24 | C30 | H25 | H26 | 120.0° | 120.0° |
| H29 | C36 | H30 | H31 | 120.0° | 120.0° |
| H32 | C37 | H33 | H34 | 120.0° | 119.9° |
| H35 | C5 | C6 | H36 | 0.2° | 0.3° |
| H43 | C22 | N23 | H44 | 58.9° | 44.0° |
