A1JFB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N7 | sing | 1.38Å | 1.37Å | |
| C2 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C15 | sing | 1.47Å | 1.51Å | |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C8 | sing | 1.48Å | 1.49Å | |
| C5 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.50Å | 1.41Å | |
| C8 | C13 | doub | 1.32Å | 1.39Å | |
| C9 | C10 | sing | 1.50Å | 1.40Å | |
| C10 | C11 | doub | 1.30Å | 1.40Å | |
| C11 | C12 | sing | 1.50Å | 1.40Å | |
| C11 | C14 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.50Å | 1.39Å | |
| C14 | C17 | sing | 1.54Å | 1.53Å | |
| C14 | C20 | sing | 1.54Å | 1.54Å | |
| C14 | C21 | sing | 1.53Å | 1.54Å | |
| C15 | O16 | doub | 1.22Å | 1.23Å | |
| C15 | N28 | sing | 1.35Å | 1.35Å | |
| C17 | N18 | sing | 1.49Å | 1.47Å | |
| N18 | C19 | sing | 1.49Å | 1.49Å | |
| N18 | C22 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.57Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C27 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | O25 | sing | 1.43Å | 1.45Å | |
| O25 | C26 | sing | 1.43Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| N28 | C33 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.56Å | |
| C29 | C34 | sing | 1.53Å | 1.58Å | |
| C30 | C31 | sing | 1.53Å | 1.57Å | |
| C30 | C36 | sing | 1.53Å | 1.57Å | |
| C30 | O37 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C32 | C33 | sing | 1.53Å | 1.58Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C33 | C35 | sing | 1.53Å | 1.56Å | |
| C35 | C36 | sing | 1.53Å | 1.57Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.08Å | 1.08Å | |
| N7 | H24 | sing | 0.97Å | 1.00Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.08Å | 1.08Å | |
| N28 | H30 | sing | 0.97Å | 1.00Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C35 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C36 | H40 | sing | 1.09Å | 1.10Å | |
| O37 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N6 | 119.0° | 120.7° |
| C2 | C1 | N7 | 124.9° | 119.6° |
| C1 | C2 | C3 | 119.6° | 118.9° |
| C1 | C2 | C15 | 120.0° | 120.6° |
| N6 | C1 | N7 | 116.0° | 119.7° |
| C1 | N6 | C5 | 121.8° | 122.0° |
| C1 | N7 | H24 | 109.5° | 120.0° |
| C1 | N7 | H25 | 109.5° | 120.0° |
| C3 | C2 | C15 | 120.2° | 120.5° |
| C2 | C3 | C4 | 119.2° | 118.2° |
| C2 | C3 | H1 | 120.4° | 120.9° |
| C2 | C15 | O16 | 117.6° | 120.0° |
| C2 | C15 | N28 | 117.6° | 120.0° |
| C3 | C4 | C5 | 117.8° | 119.2° |
| C3 | C4 | C8 | 124.6° | 120.4° |
| C4 | C3 | H1 | 120.4° | 120.9° |
| C5 | C4 | C8 | 117.5° | 120.4° |
| C4 | C5 | N6 | 122.3° | 121.0° |
| C4 | C5 | H23 | 118.8° | 119.5° |
| C4 | C8 | C9 | 120.7° | 118.7° |
| C4 | C8 | C13 | 120.1° | 118.7° |
| N6 | C5 | H23 | 118.9° | 119.5° |
| C9 | C8 | C13 | 119.2° | 122.6° |
| C8 | C9 | C10 | 120.6° | 111.3° |
| C8 | C9 | H26 | 106.6° | 109.2° |
| C8 | C9 | H27 | 106.6° | 109.2° |
| C8 | C13 | C12 | 120.3° | 122.6° |
| C8 | C13 | H4 | 119.9° | 118.6° |
| C9 | C10 | C11 | 119.7° | 123.0° |
| C10 | C9 | H26 | 106.6° | 108.9° |
| C10 | C9 | H27 | 106.6° | 109.3° |
| C9 | C10 | H28 | 120.1° | 118.5° |
| C10 | C11 | C12 | 119.2° | 123.0° |
| C10 | C11 | C14 | 120.9° | 118.5° |
| C11 | C10 | H28 | 120.1° | 118.4° |
| C12 | C11 | C14 | 119.8° | 118.5° |
| C11 | C12 | C13 | 121.0° | 111.2° |
| C11 | C12 | H2 | 106.5° | 109.1° |
| C11 | C12 | H3 | 106.5° | 109.1° |
| C11 | C14 | C17 | 115.1° | 117.6° |
| C11 | C14 | C20 | 123.8° | 121.8° |
| C11 | C14 | C21 | 121.6° | 119.5° |
| C13 | C12 | H2 | 106.5° | 109.1° |
| C13 | C12 | H3 | 106.5° | 109.1° |
| C12 | C13 | H4 | 119.8° | 118.7° |
| C17 | C14 | C20 | 104.5° | 105.1° |
| C17 | C14 | C21 | 119.0° | 118.2° |
| C14 | C17 | N18 | 109.3° | 104.6° |
| C14 | C17 | H5 | 109.5° | 110.4° |
| C14 | C17 | H6 | 109.5° | 110.4° |
| C20 | C14 | C21 | 60.5° | 61.5° |
| C14 | C20 | C19 | 106.8° | 105.0° |
| C14 | C20 | C21 | 59.7° | 58.9° |
| C14 | C20 | H9 | 120.3° | 121.9° |
| C14 | C21 | C20 | 59.8° | 59.6° |
| C14 | C21 | H10 | 120.1° | 117.4° |
| C14 | C21 | H11 | 120.1° | 117.5° |
| O16 | C15 | N28 | 124.7° | 120.0° |
| C15 | N28 | C33 | 124.8° | 120.0° |
| C15 | N28 | H30 | 117.6° | 120.0° |
| C17 | N18 | C19 | 106.9° | 103.8° |
| C17 | N18 | C22 | 116.6° | 111.0° |
| N18 | C17 | H5 | 109.5° | 110.4° |
| N18 | C17 | H6 | 109.5° | 110.4° |
| C19 | N18 | C22 | 121.2° | 110.6° |
| N18 | C19 | C20 | 105.9° | 104.2° |
| N18 | C19 | H7 | 110.3° | 111.7° |
| N18 | C19 | H8 | 110.4° | 109.7° |
| N18 | C22 | C23 | 111.8° | 109.6° |
| N18 | C22 | C27 | 112.7° | 109.5° |
| N18 | C22 | H12 | 106.4° | 109.6° |
| C19 | C20 | C21 | 114.4° | 117.5° |
| C20 | C19 | H7 | 110.4° | 110.4° |
| C20 | C19 | H8 | 110.3° | 110.4° |
| C19 | C20 | H9 | 120.2° | 117.6° |
| C21 | C20 | H9 | 120.1° | 121.2° |
| C20 | C21 | H10 | 120.0° | 117.1° |
| C20 | C21 | H11 | 120.0° | 118.3° |
| C23 | C22 | C27 | 113.9° | 109.1° |
| C22 | C23 | C24 | 111.0° | 109.2° |
| C23 | C22 | H12 | 105.7° | 109.5° |
| C22 | C23 | H13 | 109.1° | 109.5° |
| C22 | C23 | H14 | 109.1° | 109.5° |
| C22 | C27 | C26 | 113.3° | 109.2° |
| C27 | C22 | H12 | 105.6° | 109.6° |
| C22 | C27 | H19 | 108.5° | 109.5° |
| C22 | C27 | H20 | 108.5° | 109.6° |
| C23 | C24 | O25 | 109.9° | 109.4° |
| C24 | C23 | H13 | 109.1° | 109.5° |
| C24 | C23 | H14 | 109.1° | 109.5° |
| C23 | C24 | H15 | 109.4° | 109.5° |
| C23 | C24 | H16 | 109.3° | 109.5° |
| C24 | O25 | C26 | 114.8° | 114.1° |
| O25 | C24 | H15 | 109.4° | 109.5° |
| O25 | C24 | H16 | 109.4° | 109.5° |
| O25 | C26 | C27 | 110.3° | 109.5° |
| O25 | C26 | H17 | 109.2° | 109.5° |
| O25 | C26 | H18 | 109.3° | 109.5° |
| C27 | C26 | H17 | 109.3° | 109.5° |
| C27 | C26 | H18 | 109.3° | 109.4° |
| C26 | C27 | H19 | 108.5° | 109.4° |
| C26 | C27 | H20 | 108.5° | 109.6° |
| N28 | C33 | C32 | 110.6° | 109.5° |
| N28 | C33 | C34 | 110.1° | 109.4° |
| N28 | C33 | C35 | 113.1° | 109.4° |
| C33 | N28 | H30 | 117.6° | 119.9° |
| C30 | C29 | C34 | 110.0° | 109.5° |
| C29 | C30 | C31 | 109.1° | 109.4° |
| C29 | C30 | C36 | 107.2° | 109.5° |
| C29 | C30 | O37 | 110.1° | 109.5° |
| C30 | C29 | H21 | 109.3° | 109.4° |
| C30 | C29 | H22 | 109.3° | 109.5° |
| C29 | C34 | C33 | 111.3° | 109.5° |
| C34 | C29 | H21 | 109.3° | 109.5° |
| C34 | C29 | H22 | 109.3° | 109.5° |
| C29 | C34 | H35 | 109.0° | 109.5° |
| C29 | C34 | H36 | 109.0° | 109.5° |
| C31 | C30 | C36 | 109.4° | 109.5° |
| C31 | C30 | O37 | 110.9° | 109.5° |
| C30 | C31 | C32 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H32 | 109.4° | 109.5° |
| C36 | C30 | O37 | 110.1° | 109.5° |
| C30 | C36 | C35 | 110.9° | 109.5° |
| C30 | C36 | H39 | 109.1° | 109.5° |
| C30 | C36 | H40 | 109.1° | 109.5° |
| C30 | O37 | H41 | 109.5° | 114.0° |
| C31 | C32 | C33 | 111.9° | 109.4° |
| C32 | C31 | H31 | 109.5° | 109.4° |
| C32 | C31 | H32 | 109.5° | 109.5° |
| C31 | C32 | H33 | 108.9° | 109.5° |
| C31 | C32 | H34 | 108.8° | 109.5° |
| C32 | C33 | C34 | 105.1° | 109.5° |
| C32 | C33 | C35 | 105.9° | 109.5° |
| C33 | C32 | H33 | 108.9° | 109.5° |
| C33 | C32 | H34 | 108.9° | 109.4° |
| C34 | C33 | C35 | 111.7° | 109.5° |
| C33 | C34 | H35 | 109.0° | 109.5° |
| C33 | C34 | H36 | 109.0° | 109.5° |
| C33 | C35 | C36 | 110.4° | 109.4° |
| C33 | C35 | H37 | 109.2° | 109.5° |
| C33 | C35 | H38 | 109.2° | 109.4° |
| C36 | C35 | H37 | 109.3° | 109.5° |
| C36 | C35 | H38 | 109.3° | 109.5° |
| C35 | C36 | H39 | 109.1° | 109.5° |
| C35 | C36 | H40 | 109.1° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.0° |
| H5 | C17 | H6 | 109.5° | 110.5° |
| H7 | C19 | H8 | 109.4° | 110.3° |
| H10 | C21 | H11 | 109.4° | 115.5° |
| H13 | C23 | H14 | 109.5° | 109.6° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.6° |
| H21 | C29 | H22 | 109.5° | 109.5° |
| H24 | N7 | H25 | 109.5° | 120.0° |
| H26 | C9 | H27 | 109.5° | 109.0° |
| H31 | C31 | H32 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
| H37 | C35 | H38 | 109.4° | 109.5° |
| H39 | C36 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N6 | N7 | 176.8° | 179.7° |
| C1 | C2 | C3 | C15 | 174.6° | 180.0° |
| C1 | C2 | C3 | C4 | 4.0° | 0.0° |
| C2 | C1 | N6 | C5 | 5.2° | 0.0° |
| C1 | C2 | C15 | O16 | 23.0° | 5.9° |
| C1 | C2 | C15 | N28 | 154.0° | 174.0° |
| C1 | C2 | C3 | H1 | 176.0° | 180.0° |
| C2 | C1 | N7 | H24 | 176.5° | 5.6° |
| C2 | C1 | N7 | H25 | 63.4° | 174.4° |
| N6 | C1 | C2 | C3 | 0.4° | 0.0° |
| N6 | C1 | C2 | C15 | 174.2° | 180.0° |
| C1 | N6 | C5 | C4 | 5.6° | 0.0° |
| C1 | N6 | C5 | H23 | 174.4° | 180.0° |
| N6 | C1 | N7 | H24 | 0.0° | 174.1° |
| N6 | C1 | N7 | H25 | 120.0° | 5.9° |
| N7 | C1 | C2 | C3 | 176.9° | 179.7° |
| N7 | C1 | C2 | C15 | 2.2° | 0.3° |
| N7 | C1 | N6 | C5 | 178.1° | 179.7° |
| C1 | N7 | H24 | H25 | 120.0° | 180.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 3.7° | 0.0° |
| C2 | C3 | C4 | C8 | 178.9° | 180.0° |
| C3 | C2 | C15 | O16 | 162.4° | 174.1° |
| C3 | C2 | C15 | N28 | 20.6° | 6.0° |
| C15 | C2 | C3 | C4 | 178.6° | 180.0° |
| C2 | C15 | O16 | N28 | 176.7° | 179.9° |
| C2 | C15 | N28 | C33 | 178.3° | 180.0° |
| C15 | C2 | C3 | H1 | 1.4° | 0.0° |
| C2 | C15 | N28 | H30 | 1.8° | 0.0° |
| C3 | C4 | C5 | C8 | 175.6° | 180.0° |
| C3 | C4 | C5 | N6 | 0.9° | 0.1° |
| C3 | C4 | C8 | C9 | 166.4° | 115.0° |
| C3 | C4 | C8 | C13 | 14.7° | 65.0° |
| C3 | C4 | C5 | H23 | 179.1° | 180.0° |
| C4 | C5 | N6 | H23 | 180.0° | 179.9° |
| C5 | C4 | C8 | C9 | 18.3° | 65.0° |
| C5 | C4 | C8 | C13 | 160.6° | 115.0° |
| C5 | C4 | C3 | H1 | 176.3° | 180.0° |
| C8 | C4 | C5 | N6 | 174.6° | 180.0° |
| C4 | C8 | C9 | C13 | 178.9° | 179.9° |
| C4 | C8 | C9 | C10 | 177.8° | 160.7° |
| C4 | C8 | C13 | C12 | 176.4° | 180.0° |
| C8 | C4 | C3 | H1 | 1.1° | 0.0° |
| C4 | C8 | C13 | H4 | 3.6° | 0.1° |
| C8 | C4 | C5 | H23 | 5.4° | 0.1° |
| C4 | C8 | C9 | H26 | 60.6° | 79.0° |
| C4 | C8 | C9 | H27 | 56.3° | 40.1° |
| C8 | C9 | C10 | H26 | 121.6° | 120.4° |
| C8 | C9 | C10 | H27 | 121.5° | 120.6° |
| C8 | C9 | C10 | C11 | 0.0° | 19.1° |
| C9 | C8 | C13 | C12 | 2.5° | 0.0° |
| C9 | C8 | C13 | H4 | 177.5° | 180.0° |
| C8 | C9 | H26 | H27 | 115.0° | 119.2° |
| C8 | C9 | C10 | H28 | 180.0° | 160.4° |
| C13 | C8 | C9 | C10 | 1.1° | 19.3° |
| C8 | C13 | C12 | C11 | 2.9° | 19.5° |
| C8 | C13 | C12 | H4 | 180.0° | 180.0° |
| C8 | C13 | C12 | H2 | 124.5° | 101.0° |
| C8 | C13 | C12 | H3 | 118.7° | 139.9° |
| C13 | C8 | C9 | H26 | 120.5° | 101.0° |
| C13 | C8 | C9 | H27 | 122.6° | 140.0° |
| C9 | C10 | C11 | H28 | 180.0° | 179.5° |
| C9 | C10 | C11 | C12 | 0.3° | 0.6° |
| C9 | C10 | C11 | C14 | 176.3° | 179.7° |
| C10 | C9 | H26 | H27 | 115.0° | 119.1° |
| C10 | C11 | C12 | C14 | 176.0° | 179.7° |
| C10 | C11 | C12 | C13 | 1.8° | 19.9° |
| C10 | C11 | C14 | C17 | 81.8° | 135.0° |
| C10 | C11 | C14 | C20 | 48.4° | 3.0° |
| C10 | C11 | C14 | C21 | 122.0° | 69.9° |
| C10 | C11 | C12 | H2 | 123.4° | 100.6° |
| C10 | C11 | C12 | H3 | 119.8° | 140.3° |
| C11 | C10 | C9 | H26 | 121.6° | 101.3° |
| C11 | C10 | C9 | H27 | 121.5° | 139.7° |
| C11 | C12 | C13 | H2 | 121.6° | 120.5° |
| C11 | C12 | C13 | H3 | 121.6° | 120.5° |
| C12 | C11 | C14 | C17 | 94.2° | 45.3° |
| C12 | C11 | C14 | C20 | 135.6° | 177.3° |
| C12 | C11 | C14 | C21 | 62.1° | 109.9° |
| C11 | C12 | H2 | H3 | 114.8° | 119.1° |
| C11 | C12 | C13 | H4 | 177.1° | 160.5° |
| C12 | C11 | C10 | H28 | 179.7° | 180.0° |
| C14 | C11 | C12 | C13 | 177.8° | 160.4° |
| C11 | C14 | C17 | C20 | 139.0° | 139.1° |
| C11 | C14 | C17 | C21 | 156.9° | 155.5° |
| C11 | C14 | C20 | C21 | 110.2° | 108.8° |
| C11 | C14 | C17 | N18 | 129.4° | 115.3° |
| C11 | C14 | C20 | C19 | 140.9° | 137.9° |
| C14 | C11 | C12 | H2 | 60.6° | 79.1° |
| C14 | C11 | C12 | H3 | 56.2° | 40.0° |
| C11 | C14 | C17 | H5 | 9.4° | 3.5° |
| C11 | C14 | C17 | H6 | 110.7° | 125.9° |
| C11 | C14 | C20 | H9 | 1.0° | 0.9° |
| C11 | C14 | C21 | H10 | 136.9° | 140.7° |
| C11 | C14 | C21 | H11 | 4.3° | 4.1° |
| C14 | C11 | C10 | H28 | 3.7° | 0.3° |
| C13 | C12 | H2 | H3 | 114.8° | 119.1° |
| C17 | C14 | C20 | C21 | 115.4° | 114.2° |
| C14 | C17 | N18 | H5 | 120.0° | 118.8° |
| C14 | C17 | N18 | H6 | 120.0° | 118.7° |
| C14 | C17 | N18 | C19 | 22.7° | 40.2° |
| C14 | C17 | N18 | C22 | 161.9° | 159.0° |
| C17 | C14 | C20 | C19 | 6.5° | 0.9° |
| C14 | C17 | H5 | H6 | 120.1° | 122.4° |
| C17 | C14 | C20 | H9 | 135.3° | 136.1° |
| C17 | C14 | C21 | H10 | 18.5° | 14.4° |
| C17 | C14 | C21 | H11 | 159.7° | 159.1° |
| C20 | C14 | C17 | N18 | 9.6° | 23.8° |
| C14 | C20 | C19 | N18 | 20.1° | 25.1° |
| C14 | C20 | C19 | C21 | 63.8° | 62.4° |
| C14 | C20 | C19 | H9 | 141.9° | 139.2° |
| C14 | C20 | C21 | H9 | 109.7° | 110.8° |
| C20 | C14 | C17 | H5 | 129.6° | 142.6° |
| C20 | C14 | C17 | H6 | 110.3° | 94.9° |
| C14 | C20 | C19 | H7 | 139.6° | 94.9° |
| C14 | C20 | C19 | H8 | 99.3° | 142.8° |
| C20 | C14 | C21 | H10 | 109.4° | 106.9° |
| C20 | C14 | C21 | H11 | 109.4° | 108.3° |
| C21 | C14 | C17 | N18 | 73.7° | 89.2° |
| C21 | C14 | C17 | H5 | 166.3° | 152.0° |
| C21 | C14 | C17 | H6 | 46.2° | 29.6° |
| C14 | C21 | H10 | H11 | 144.9° | 145.5° |
| O16 | C15 | N28 | C33 | 1.5° | 0.1° |
| O16 | C15 | N28 | H30 | 178.5° | 180.0° |
| C15 | N28 | C33 | H30 | 180.0° | 180.0° |
| C15 | N28 | C33 | C32 | 176.6° | 180.0° |
| C15 | N28 | C33 | C34 | 60.9° | 60.0° |
| C15 | N28 | C33 | C35 | 64.8° | 59.9° |
| C17 | N18 | C19 | C22 | 137.0° | 119.1° |
| C17 | N18 | C19 | C20 | 26.2° | 40.7° |
| C17 | N18 | C22 | C23 | 177.5° | 180.0° |
| C17 | N18 | C22 | C27 | 47.6° | 60.4° |
| N18 | C17 | H5 | H6 | 120.1° | 122.4° |
| C17 | N18 | C19 | H7 | 145.7° | 78.5° |
| C17 | N18 | C19 | H8 | 93.2° | 158.8° |
| C17 | N18 | C22 | H12 | 67.6° | 59.8° |
| N18 | C19 | C20 | H7 | 119.4° | 120.1° |
| N18 | C19 | C20 | H8 | 119.4° | 117.7° |
| N18 | C19 | C20 | C21 | 83.9° | 87.5° |
| C19 | N18 | C22 | C23 | 49.4° | 65.4° |
| C19 | N18 | C22 | C27 | 179.2° | 175.1° |
| C19 | N18 | C17 | H5 | 142.7° | 159.0° |
| C19 | N18 | C17 | H6 | 97.3° | 78.6° |
| N18 | C19 | H7 | H8 | 121.6° | 122.3° |
| N18 | C19 | C20 | H9 | 121.8° | 114.1° |
| C19 | N18 | C22 | H12 | 65.5° | 54.8° |
| C22 | N18 | C19 | C20 | 163.2° | 159.8° |
| N18 | C22 | C23 | C27 | 129.2° | 119.9° |
| N18 | C22 | C23 | H12 | 115.3° | 120.2° |
| N18 | C22 | C27 | H12 | 115.7° | 120.2° |
| N18 | C22 | C23 | C24 | 172.8° | 176.8° |
| N18 | C22 | C27 | C26 | 169.3° | 176.8° |
| C22 | N18 | C17 | H5 | 78.1° | 82.2° |
| C22 | N18 | C17 | H6 | 42.0° | 40.3° |
| C22 | N18 | C19 | H7 | 77.3° | 40.6° |
| C22 | N18 | C19 | H8 | 43.8° | 82.1° |
| N18 | C22 | C23 | H13 | 66.9° | 63.3° |
| N18 | C22 | C23 | H14 | 52.6° | 56.9° |
| N18 | C22 | C27 | H19 | 48.7° | 57.0° |
| N18 | C22 | C27 | H20 | 70.2° | 63.2° |
| C19 | C20 | C21 | H9 | 154.4° | 157.6° |
| C20 | C19 | H7 | H8 | 121.6° | 122.3° |
| C19 | C20 | C21 | H10 | 13.5° | 15.8° |
| C19 | C20 | C21 | H11 | 154.7° | 161.4° |
| C21 | C20 | C19 | H7 | 156.7° | 32.6° |
| C21 | C20 | C19 | H8 | 35.6° | 154.8° |
| C20 | C21 | H10 | H11 | 144.8° | 146.5° |
| C23 | C22 | C27 | H12 | 115.5° | 119.9° |
| C22 | C23 | C24 | H13 | 120.2° | 119.9° |
| C22 | C23 | C24 | H14 | 120.2° | 119.9° |
| C22 | C23 | C24 | O25 | 53.8° | 57.6° |
| C23 | C22 | C27 | C26 | 40.4° | 56.9° |
| C22 | C23 | H13 | H14 | 119.3° | 120.2° |
| C22 | C23 | C24 | H15 | 66.3° | 62.4° |
| C22 | C23 | C24 | H16 | 173.9° | 177.6° |
| C23 | C22 | C27 | H19 | 80.1° | 62.9° |
| C23 | C22 | C27 | H20 | 161.0° | 176.9° |
| C27 | C22 | C23 | C24 | 43.6° | 57.0° |
| C22 | C27 | C26 | O25 | 46.4° | 57.5° |
| C22 | C27 | C26 | H19 | 120.6° | 119.8° |
| C22 | C27 | C26 | H20 | 120.5° | 120.0° |
| C27 | C22 | C23 | H13 | 163.8° | 176.9° |
| C27 | C22 | C23 | H14 | 76.6° | 62.9° |
| C22 | C27 | C26 | H17 | 73.7° | 177.6° |
| C22 | C27 | C26 | H18 | 166.5° | 62.4° |
| C22 | C27 | H19 | H20 | 118.2° | 120.2° |
| C23 | C24 | O25 | H15 | 120.1° | 120.0° |
| C23 | C24 | O25 | H16 | 120.0° | 119.9° |
| C23 | C24 | O25 | C26 | 64.9° | 61.1° |
| C24 | C23 | C22 | H12 | 71.9° | 62.9° |
| C24 | C23 | H13 | H14 | 119.4° | 120.1° |
| C23 | C24 | H15 | H16 | 119.8° | 120.0° |
| C24 | O25 | C26 | C27 | 60.5° | 61.1° |
| O25 | C24 | C23 | H13 | 174.0° | 177.5° |
| O25 | C24 | C23 | H14 | 66.4° | 62.3° |
| O25 | C24 | H15 | H16 | 119.8° | 120.0° |
| C24 | O25 | C26 | H17 | 59.6° | 178.9° |
| C24 | O25 | C26 | H18 | 179.3° | 58.9° |
| O25 | C26 | C27 | H17 | 120.1° | 120.0° |
| O25 | C26 | C27 | H18 | 120.1° | 120.0° |
| C26 | O25 | C24 | H15 | 55.1° | 58.9° |
| C26 | O25 | C24 | H16 | 175.0° | 178.9° |
| O25 | C26 | H17 | H18 | 119.6° | 120.0° |
| O25 | C26 | C27 | H19 | 74.2° | 62.3° |
| O25 | C26 | C27 | H20 | 166.9° | 177.5° |
| C26 | C27 | C22 | H12 | 75.1° | 63.0° |
| C27 | C26 | H17 | H18 | 119.6° | 120.0° |
| C26 | C27 | H19 | H20 | 118.3° | 120.2° |
| N28 | C33 | C34 | C29 | 179.0° | 180.0° |
| N28 | C33 | C32 | C31 | 179.7° | 180.0° |
| N28 | C33 | C32 | C34 | 118.8° | 120.0° |
| N28 | C33 | C32 | C35 | 122.8° | 120.0° |
| N28 | C33 | C34 | C35 | 126.4° | 119.9° |
| N28 | C33 | C35 | C36 | 174.7° | 180.0° |
| N28 | C33 | C32 | H33 | 59.3° | 60.0° |
| N28 | C33 | C32 | H34 | 60.0° | 60.0° |
| N28 | C33 | C34 | H35 | 60.8° | 60.0° |
| N28 | C33 | C34 | H36 | 58.7° | 60.0° |
| N28 | C33 | C35 | H37 | 54.5° | 60.0° |
| N28 | C33 | C35 | H38 | 65.2° | 60.0° |
| C30 | C29 | C34 | H21 | 120.1° | 119.9° |
| C30 | C29 | C34 | H22 | 120.1° | 120.1° |
| C29 | C30 | C31 | C36 | 116.9° | 120.0° |
| C29 | C30 | C31 | O37 | 121.4° | 120.0° |
| C29 | C30 | C36 | O37 | 119.7° | 120.0° |
| C29 | C30 | C31 | C32 | 57.6° | 60.0° |
| C30 | C29 | C34 | C33 | 1.7° | 0.0° |
| C29 | C30 | C36 | C35 | 65.1° | 60.0° |
| C30 | C29 | H21 | H22 | 119.7° | 120.1° |
| C29 | C30 | C31 | H31 | 62.5° | 60.0° |
| C29 | C30 | C31 | H32 | 177.6° | 180.0° |
| C30 | C29 | C34 | H35 | 122.0° | 120.0° |
| C30 | C29 | C34 | H36 | 118.6° | 120.0° |
| C29 | C30 | C36 | H39 | 174.6° | 180.0° |
| C29 | C30 | C36 | H40 | 55.1° | 60.0° |
| C29 | C30 | O37 | H41 | 180.0° | 180.0° |
| C34 | C29 | C30 | C31 | 58.4° | 60.0° |
| C34 | C29 | C30 | C36 | 59.9° | 60.0° |
| C34 | C29 | C30 | O37 | 179.6° | 180.0° |
| C29 | C34 | C33 | C32 | 59.9° | 60.0° |
| C29 | C34 | C33 | H35 | 120.3° | 120.0° |
| C29 | C34 | C33 | H36 | 120.3° | 120.0° |
| C29 | C34 | C33 | C35 | 54.6° | 60.0° |
| C34 | C29 | H21 | H22 | 119.8° | 120.0° |
| C29 | C34 | H35 | H36 | 119.1° | 120.0° |
| C31 | C30 | C36 | O37 | 122.1° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H32 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 3.2° | 0.0° |
| C31 | C30 | C36 | C35 | 53.0° | 60.0° |
| C31 | C30 | C29 | H21 | 178.5° | 180.0° |
| C31 | C30 | C29 | H22 | 61.7° | 60.0° |
| C30 | C31 | H31 | H32 | 120.0° | 120.0° |
| C30 | C31 | C32 | H33 | 117.2° | 120.0° |
| C30 | C31 | C32 | H34 | 123.5° | 120.0° |
| C31 | C30 | C36 | H39 | 67.2° | 60.0° |
| C31 | C30 | C36 | H40 | 173.3° | 180.0° |
| C31 | C30 | O37 | H41 | 59.1° | 60.0° |
| C36 | C30 | C31 | C32 | 59.4° | 60.0° |
| C30 | C36 | C35 | C33 | 9.2° | 0.0° |
| C30 | C36 | C35 | H39 | 120.2° | 120.0° |
| C30 | C36 | C35 | H40 | 120.2° | 120.0° |
| C36 | C30 | C29 | H21 | 60.2° | 60.0° |
| C36 | C30 | C29 | H22 | 180.0° | 180.0° |
| C36 | C30 | C31 | H31 | 179.4° | 180.0° |
| C36 | C30 | C31 | H32 | 60.6° | 60.0° |
| C30 | C36 | C35 | H37 | 129.3° | 119.9° |
| C30 | C36 | C35 | H38 | 111.0° | 120.0° |
| C30 | C36 | H39 | H40 | 119.3° | 120.0° |
| C36 | C30 | O37 | H41 | 62.1° | 60.0° |
| O37 | C30 | C31 | C32 | 179.0° | 180.0° |
| O37 | C30 | C36 | C35 | 175.2° | 180.0° |
| O37 | C30 | C29 | H21 | 59.6° | 60.0° |
| O37 | C30 | C29 | H22 | 60.3° | 60.0° |
| O37 | C30 | C31 | H31 | 59.0° | 60.0° |
| O37 | C30 | C31 | H32 | 61.0° | 60.0° |
| O37 | C30 | C36 | H39 | 54.9° | 60.0° |
| O37 | C30 | C36 | H40 | 64.6° | 60.0° |
| C31 | C32 | C33 | H33 | 120.4° | 120.1° |
| C31 | C32 | C33 | H34 | 120.4° | 119.9° |
| C31 | C32 | C33 | C34 | 60.9° | 60.0° |
| C31 | C32 | C33 | C35 | 57.5° | 60.0° |
| C32 | C31 | H31 | H32 | 120.0° | 120.0° |
| C31 | C32 | H33 | H34 | 118.8° | 120.0° |
| C32 | C33 | C34 | C35 | 114.4° | 120.0° |
| C32 | C33 | C35 | C36 | 64.1° | 60.0° |
| C32 | C33 | N28 | H30 | 3.4° | 0.0° |
| C33 | C32 | C31 | H31 | 123.2° | 120.1° |
| C33 | C32 | C31 | H32 | 116.9° | 120.0° |
| C33 | C32 | H33 | H34 | 118.9° | 120.0° |
| C32 | C33 | C34 | H35 | 179.9° | 180.0° |
| C32 | C33 | C34 | H36 | 60.4° | 60.0° |
| C32 | C33 | C35 | H37 | 175.7° | 180.0° |
| C32 | C33 | C35 | H38 | 56.1° | 60.0° |
| C34 | C33 | C35 | C36 | 49.8° | 60.1° |
| C33 | C34 | C29 | H21 | 118.4° | 120.0° |
| C33 | C34 | C29 | H22 | 121.8° | 120.0° |
| C34 | C33 | N28 | H30 | 119.1° | 120.0° |
| C34 | C33 | C32 | H33 | 59.5° | 60.0° |
| C34 | C33 | C32 | H34 | 178.8° | 180.0° |
| C33 | C34 | H35 | H36 | 119.2° | 120.0° |
| C34 | C33 | C35 | H37 | 70.3° | 59.9° |
| C34 | C33 | C35 | H38 | 170.0° | 180.0° |
| C33 | C35 | C36 | H37 | 120.2° | 120.0° |
| C33 | C35 | C36 | H38 | 120.1° | 119.9° |
| C35 | C33 | N28 | H30 | 115.2° | 120.0° |
| C35 | C33 | C32 | H33 | 177.9° | 180.0° |
| C35 | C33 | C32 | H34 | 62.9° | 60.0° |
| C35 | C33 | C34 | H35 | 65.7° | 60.0° |
| C35 | C33 | C34 | H36 | 174.9° | 180.0° |
| C33 | C35 | H37 | H38 | 119.5° | 120.0° |
| C33 | C35 | C36 | H39 | 129.4° | 120.0° |
| C33 | C35 | C36 | H40 | 111.0° | 120.0° |
| C36 | C35 | H37 | H38 | 119.6° | 120.1° |
| C35 | C36 | H39 | H40 | 119.4° | 120.0° |
| H2 | C12 | C13 | H4 | 55.5° | 79.0° |
| H3 | C12 | C13 | H4 | 61.3° | 40.0° |
| H7 | C19 | C20 | H9 | 2.3° | 125.9° |
| H8 | C19 | C20 | H9 | 118.8° | 3.6° |
| H9 | C20 | C21 | H10 | 140.9° | 141.8° |
| H9 | C20 | C21 | H11 | 0.3° | 3.8° |
| H12 | C22 | C23 | H13 | 48.4° | 57.0° |
| H12 | C22 | C23 | H14 | 167.9° | 177.2° |
| H12 | C22 | C27 | H19 | 164.4° | 177.2° |
| H12 | C22 | C27 | H20 | 45.5° | 57.0° |
| H13 | C23 | C24 | H15 | 53.9° | 57.5° |
| H13 | C23 | C24 | H16 | 65.9° | 62.5° |
| H14 | C23 | C24 | H15 | 173.5° | 177.7° |
| H14 | C23 | C24 | H16 | 53.6° | 57.6° |
| H17 | C26 | C27 | H19 | 165.7° | 57.7° |
| H17 | C26 | C27 | H20 | 46.8° | 62.4° |
| H18 | C26 | C27 | H19 | 46.0° | 177.7° |
| H18 | C26 | C27 | H20 | 72.9° | 57.5° |
| H21 | C29 | C34 | H35 | 1.9° | 0.0° |
| H21 | C29 | C34 | H36 | 121.4° | 120.0° |
| H22 | C29 | C34 | H35 | 117.9° | 120.0° |
| H22 | C29 | C34 | H36 | 1.5° | 0.0° |
| H26 | C9 | C10 | H28 | 58.4° | 79.2° |
| H27 | C9 | C10 | H28 | 58.5° | 39.8° |
| H31 | C31 | C32 | H33 | 2.8° | 0.0° |
| H31 | C31 | C32 | H34 | 116.4° | 120.0° |
| H32 | C31 | C32 | H33 | 122.8° | 119.9° |
| H32 | C31 | C32 | H34 | 3.5° | 0.1° |
| H37 | C35 | C36 | H39 | 110.4° | 120.0° |
| H37 | C35 | C36 | H40 | 9.1° | 0.0° |
| H38 | C35 | C36 | H39 | 9.3° | 0.1° |
| H38 | C35 | C36 | H40 | 128.8° | 120.1° |
