60E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | N31 | doub | 1.31Å | 1.30Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.41Å | Aromatic |
| N31 | N32 | sing | 1.40Å | 1.40Å | Aromatic |
| O36 | S34 | doub | 1.42Å | 1.43Å | |
| N26 | C25 | doub | 1.32Å | 1.33Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | C27 | sing | 1.48Å | 1.49Å | |
| C29 | C33 | doub | 1.37Å | 1.37Å | Aromatic |
| N32 | S34 | sing | 1.66Å | 1.68Å | |
| N32 | C33 | sing | 1.35Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | N28 | doub | 1.33Å | 1.34Å | Aromatic |
| S34 | C37 | sing | 1.81Å | 1.83Å | |
| S34 | O35 | doub | 1.42Å | 1.43Å | |
| C24 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | C39 | sing | 1.53Å | 1.53Å | |
| N28 | C23 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | N22 | sing | 1.39Å | 1.39Å | |
| N22 | C8 | sing | 1.39Å | 1.41Å | |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | N5 | sing | 1.47Å | 1.48Å | |
| N9 | C10 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| N5 | N13 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.46Å | 1.47Å | Aromatic |
| N13 | C12 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | N14 | sing | 1.40Å | 1.40Å | |
| N14 | C17 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | O21 | sing | 1.43Å | 1.44Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| O21 | H23 | sing | 0.97Å | 0.95Å | |
| N22 | H24 | sing | 0.97Å | 1.00Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C39 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N31 | C30 | C29 | 108.0° | 108.0° |
| C30 | N31 | N32 | 109.1° | 108.6° |
| N31 | C30 | H27 | 126.0° | 126.0° |
| C30 | C29 | C27 | 127.1° | 126.2° |
| C30 | C29 | C33 | 107.2° | 107.5° |
| C29 | C30 | H27 | 126.0° | 126.0° |
| N31 | N32 | S34 | 126.6° | 125.9° |
| N31 | N32 | C33 | 107.3° | 108.3° |
| O36 | S34 | N32 | 103.5° | 104.3° |
| O36 | S34 | C37 | 110.9° | 110.5° |
| O36 | S34 | O35 | 121.0° | 121.0° |
| C25 | N26 | C27 | 121.3° | 120.9° |
| N26 | C25 | C24 | 119.8° | 119.3° |
| N26 | C25 | H26 | 120.1° | 120.4° |
| N26 | C27 | C29 | 119.8° | 119.2° |
| N26 | C27 | N28 | 120.6° | 121.6° |
| C27 | C29 | C33 | 125.6° | 126.3° |
| C29 | C27 | N28 | 119.6° | 119.2° |
| C29 | C33 | N32 | 108.3° | 107.6° |
| C29 | C33 | H28 | 125.8° | 126.2° |
| S34 | N32 | C33 | 126.0° | 125.9° |
| N32 | S34 | C37 | 104.6° | 104.4° |
| N32 | S34 | O35 | 105.3° | 104.3° |
| N32 | C33 | H28 | 125.8° | 126.2° |
| C25 | C24 | C23 | 118.0° | 118.5° |
| C25 | C24 | H25 | 121.0° | 120.8° |
| C24 | C25 | H26 | 120.1° | 120.3° |
| C27 | N28 | C23 | 121.3° | 120.6° |
| C37 | S34 | O35 | 109.9° | 110.6° |
| S34 | C37 | C38 | 118.6° | 117.5° |
| S34 | C37 | C39 | 117.9° | 117.5° |
| S34 | C37 | H29 | 113.5° | 115.6° |
| C24 | C23 | N28 | 119.1° | 119.0° |
| C24 | C23 | N22 | 118.6° | 120.5° |
| C23 | C24 | H25 | 121.0° | 120.7° |
| C37 | C38 | C39 | 60.2° | 60.0° |
| C38 | C37 | C39 | 59.7° | 60.0° |
| C38 | C37 | H29 | 118.5° | 117.5° |
| C37 | C38 | H30 | 119.9° | 117.5° |
| C37 | C38 | H31 | 120.0° | 117.5° |
| C38 | C39 | C37 | 60.2° | 60.0° |
| C39 | C38 | H30 | 119.9° | 117.5° |
| C39 | C38 | H31 | 120.0° | 117.5° |
| C38 | C39 | H32 | 120.0° | 117.5° |
| C38 | C39 | H33 | 120.0° | 117.5° |
| C39 | C37 | H29 | 118.5° | 117.5° |
| C37 | C39 | H32 | 120.0° | 117.5° |
| C37 | C39 | H33 | 120.0° | 117.5° |
| N28 | C23 | N22 | 122.4° | 120.5° |
| C23 | N22 | C8 | 128.4° | 120.0° |
| C23 | N22 | H24 | 115.8° | 120.0° |
| N22 | C8 | C7 | 123.0° | 119.3° |
| N22 | C8 | N9 | 116.8° | 119.4° |
| C8 | N22 | H24 | 115.8° | 120.0° |
| C7 | C8 | N9 | 120.1° | 121.3° |
| C8 | C7 | C6 | 119.7° | 118.8° |
| C8 | C7 | H4 | 120.1° | 120.6° |
| C8 | N9 | C10 | 123.0° | 122.3° |
| C7 | C6 | N5 | 135.2° | 134.8° |
| C7 | C6 | C11 | 117.9° | 118.3° |
| C6 | C7 | H4 | 120.1° | 120.6° |
| C1 | C2 | C3 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C4 | C3 | C2 | 107.8° | 109.5° |
| C4 | C3 | N5 | 109.7° | 109.4° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.5° |
| C2 | C3 | N5 | 111.0° | 109.5° |
| C2 | C3 | H6 | 109.2° | 109.5° |
| C3 | C2 | H10 | 109.5° | 109.5° |
| C3 | C2 | H11 | 109.5° | 109.4° |
| C3 | N5 | C6 | 126.7° | 125.4° |
| C3 | N5 | N13 | 125.0° | 125.4° |
| N5 | C3 | H6 | 109.9° | 109.5° |
| N9 | C10 | C11 | 120.4° | 120.2° |
| N9 | C10 | H5 | 119.8° | 119.9° |
| N5 | C6 | C11 | 106.9° | 106.9° |
| C6 | N5 | N13 | 108.3° | 109.2° |
| C6 | C11 | C10 | 118.9° | 119.1° |
| C6 | C11 | C12 | 106.5° | 106.2° |
| N5 | N13 | C12 | 111.8° | 110.1° |
| C10 | C11 | C12 | 134.6° | 134.7° |
| C11 | C10 | H5 | 119.8° | 119.9° |
| C11 | C12 | N13 | 106.4° | 107.6° |
| C11 | C12 | N14 | 126.7° | 126.3° |
| N13 | C12 | N14 | 124.7° | 126.1° |
| C12 | N14 | C17 | 123.1° | 111.1° |
| C12 | N14 | C15 | 119.0° | 111.0° |
| C17 | N14 | C15 | 85.5° | 87.9° |
| N14 | C17 | C16 | 81.4° | 88.0° |
| N14 | C17 | H15 | 115.9° | 113.5° |
| N14 | C17 | H16 | 116.0° | 113.4° |
| N14 | C15 | C16 | 81.6° | 87.9° |
| N14 | C15 | H12 | 115.9° | 113.5° |
| N14 | C15 | H13 | 115.9° | 113.5° |
| C17 | C16 | C15 | 80.2° | 83.6° |
| C17 | C16 | C18 | 118.1° | 114.2° |
| C17 | C16 | H14 | 112.4° | 114.4° |
| C16 | C17 | H15 | 115.9° | 113.5° |
| C16 | C17 | H16 | 116.0° | 113.5° |
| C15 | C16 | C18 | 117.4° | 114.1° |
| C16 | C15 | H12 | 115.9° | 113.5° |
| C16 | C15 | H13 | 115.9° | 113.5° |
| C15 | C16 | H14 | 112.5° | 114.1° |
| C16 | C18 | O21 | 110.6° | 109.5° |
| C16 | C18 | C20 | 109.0° | 109.4° |
| C16 | C18 | C19 | 109.5° | 109.5° |
| C18 | C16 | H14 | 112.6° | 113.3° |
| O21 | C18 | C20 | 110.6° | 109.5° |
| O21 | C18 | C19 | 109.5° | 109.5° |
| C18 | O21 | H23 | 109.5° | 114.0° |
| C20 | C18 | C19 | 107.4° | 109.4° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H21 | 109.5° | 109.5° |
| C18 | C20 | H22 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.4° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H1 | C4 | H3 | 109.4° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.4° | 109.4° |
| H12 | C15 | H13 | 109.5° | 112.7° |
| H15 | C17 | H16 | 109.5° | 112.7° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H30 | C38 | H31 | 109.5° | 115.6° |
| H32 | C39 | H33 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N31 | C30 | C29 | H27 | 180.0° | 179.9° |
| N31 | C30 | C29 | C27 | 177.5° | 180.0° |
| N31 | C30 | C29 | C33 | 1.4° | 0.3° |
| C30 | N31 | N32 | S34 | 178.5° | 180.0° |
| C30 | N31 | N32 | C33 | 0.2° | 0.2° |
| C29 | C30 | N31 | N32 | 0.8° | 0.1° |
| C30 | C29 | C27 | N26 | 18.9° | 179.7° |
| C30 | C29 | C27 | C33 | 175.5° | 179.7° |
| C30 | C29 | C33 | N32 | 1.5° | 0.4° |
| C30 | C29 | C27 | N28 | 163.1° | 0.5° |
| C30 | C29 | C33 | H28 | 178.5° | 179.8° |
| N31 | N32 | S34 | O36 | 18.9° | 26.0° |
| N31 | N32 | C33 | C29 | 1.0° | 0.3° |
| N31 | N32 | S34 | C33 | 178.0° | 179.8° |
| N31 | N32 | S34 | C37 | 97.3° | 90.1° |
| N31 | N32 | S34 | O35 | 146.8° | 153.9° |
| N32 | N31 | C30 | H27 | 179.2° | 180.0° |
| N31 | N32 | C33 | H28 | 179.0° | 179.8° |
| O36 | S34 | N32 | C37 | 116.2° | 116.1° |
| O36 | S34 | N32 | O35 | 127.9° | 127.8° |
| O36 | S34 | N32 | C33 | 163.1° | 154.2° |
| O36 | S34 | C37 | O35 | 136.4° | 136.8° |
| O36 | S34 | C37 | C38 | 28.6° | 137.0° |
| O36 | S34 | C37 | C39 | 97.3° | 68.4° |
| O36 | S34 | C37 | H29 | 117.6° | 77.3° |
| C25 | N26 | C27 | C29 | 179.1° | 180.0° |
| N26 | C25 | C24 | H26 | 180.0° | 180.0° |
| C25 | N26 | C27 | N28 | 1.1° | 0.2° |
| N26 | C25 | C24 | C23 | 1.3° | 0.0° |
| N26 | C25 | C24 | H25 | 178.6° | 180.0° |
| N26 | C27 | C29 | N28 | 178.0° | 179.8° |
| N26 | C27 | C29 | C33 | 156.6° | 0.0° |
| C27 | N26 | C25 | C24 | 2.1° | 0.0° |
| N26 | C27 | N28 | C23 | 0.8° | 0.5° |
| C27 | N26 | C25 | H26 | 177.8° | 180.0° |
| C27 | C29 | C33 | N32 | 177.7° | 179.9° |
| C29 | C27 | N28 | C23 | 177.2° | 179.7° |
| C27 | C29 | C30 | H27 | 2.5° | 0.0° |
| C27 | C29 | C33 | H28 | 2.3° | 0.0° |
| C29 | C33 | N32 | S34 | 179.4° | 179.8° |
| C29 | C33 | N32 | H28 | 180.0° | 179.9° |
| C33 | C29 | C27 | N28 | 21.4° | 179.8° |
| C33 | C29 | C30 | H27 | 178.6° | 179.8° |
| N32 | S34 | C37 | O35 | 112.6° | 111.6° |
| N32 | S34 | C37 | C38 | 139.5° | 111.4° |
| N32 | S34 | C37 | C39 | 151.7° | 179.9° |
| S34 | N32 | C33 | H28 | 0.6° | 0.0° |
| N32 | S34 | C37 | H29 | 6.6° | 34.3° |
| C33 | N32 | S34 | C37 | 80.7° | 89.7° |
| C33 | N32 | S34 | O35 | 35.1° | 26.4° |
| C25 | C24 | C23 | H25 | 180.0° | 180.0° |
| C25 | C24 | C23 | N28 | 0.4° | 0.2° |
| C25 | C24 | C23 | N22 | 180.0° | 180.0° |
| C27 | N28 | C23 | C24 | 1.5° | 0.5° |
| C27 | N28 | C23 | N22 | 178.9° | 179.7° |
| S34 | C37 | C38 | C39 | 107.3° | 107.5° |
| S34 | C37 | C38 | H29 | 144.5° | 145.0° |
| S34 | C37 | C39 | H29 | 143.3° | 145.1° |
| S34 | C37 | C38 | H30 | 143.2° | 145.0° |
| S34 | C37 | C38 | H31 | 2.2° | 0.0° |
| S34 | C37 | C39 | H32 | 141.9° | 0.1° |
| S34 | C37 | C39 | H33 | 0.9° | 145.0° |
| O35 | S34 | C37 | C38 | 107.9° | 0.2° |
| O35 | S34 | C37 | C39 | 39.1° | 68.3° |
| O35 | S34 | C37 | H29 | 105.9° | 145.9° |
| C24 | C23 | N28 | N22 | 179.6° | 179.8° |
| C24 | C23 | N22 | C8 | 148.8° | 174.8° |
| C24 | C23 | N22 | H24 | 31.2° | 5.2° |
| C23 | C24 | C25 | H26 | 178.6° | 180.0° |
| C37 | C38 | C39 | H30 | 109.5° | 107.5° |
| C37 | C38 | C39 | H31 | 109.5° | 107.4° |
| C38 | C37 | C39 | H29 | 108.2° | 107.4° |
| C37 | C38 | H30 | H31 | 144.6° | 145.6° |
| C37 | C38 | C39 | H32 | 109.5° | 107.5° |
| C37 | C38 | C39 | H33 | 109.5° | 107.5° |
| C39 | C38 | H30 | H31 | 144.7° | 145.8° |
| C38 | C39 | H32 | H33 | 144.6° | 145.7° |
| C37 | C39 | H32 | H33 | 144.7° | 145.6° |
| N28 | C23 | N22 | C8 | 31.7° | 5.0° |
| N28 | C23 | N22 | H24 | 148.3° | 175.0° |
| N28 | C23 | C24 | H25 | 179.6° | 179.8° |
| C23 | N22 | C8 | H24 | 180.0° | 179.9° |
| C23 | N22 | C8 | C7 | 24.2° | 174.7° |
| C23 | N22 | C8 | N9 | 157.8° | 5.4° |
| N22 | C23 | C24 | H25 | 0.0° | 0.0° |
| N22 | C8 | C7 | N9 | 177.9° | 179.9° |
| N22 | C8 | C7 | C6 | 176.9° | 180.0° |
| N22 | C8 | N9 | C10 | 176.7° | 179.5° |
| N22 | C8 | C7 | H4 | 3.0° | 0.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C7 | C8 | N9 | C10 | 1.3° | 0.6° |
| C8 | C7 | C6 | N5 | 179.2° | 180.0° |
| C8 | C7 | C6 | C11 | 0.4° | 0.3° |
| C7 | C8 | N22 | H24 | 155.8° | 5.2° |
| N9 | C8 | C7 | C6 | 1.0° | 0.1° |
| C8 | N9 | C10 | C11 | 1.0° | 0.6° |
| N9 | C8 | C7 | H4 | 179.1° | 180.0° |
| C8 | N9 | C10 | H5 | 179.0° | 179.6° |
| N9 | C8 | N22 | H24 | 22.2° | 174.7° |
| C7 | C6 | N5 | C3 | 0.7° | 0.2° |
| C7 | C6 | N5 | C11 | 179.7° | 179.8° |
| C7 | C6 | N5 | N13 | 178.8° | 179.7° |
| C7 | C6 | C11 | C10 | 0.1° | 0.2° |
| C7 | C6 | C11 | C12 | 178.8° | 179.8° |
| C1 | C2 | C3 | C4 | 154.4° | 65.0° |
| C1 | C2 | C3 | H10 | 120.0° | 120.1° |
| C1 | C2 | C3 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | N5 | 85.3° | 175.0° |
| C1 | C2 | C3 | H6 | 35.9° | 55.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | H10 | H11 | 120.1° | 120.0° |
| C4 | C3 | C2 | N5 | 120.3° | 120.0° |
| C4 | C3 | C2 | H6 | 118.5° | 120.0° |
| C4 | C3 | N5 | H6 | 120.0° | 120.0° |
| C4 | C3 | N5 | C6 | 127.7° | 120.1° |
| C4 | C3 | N5 | N13 | 50.1° | 60.0° |
| C3 | C4 | H1 | H2 | 120.0° | 120.0° |
| C3 | C4 | H1 | H3 | 120.0° | 120.0° |
| C3 | C4 | H2 | H3 | 120.0° | 120.0° |
| C4 | C3 | C2 | H10 | 85.6° | 55.0° |
| C4 | C3 | C2 | H11 | 34.4° | 175.0° |
| C2 | C3 | N5 | H6 | 120.8° | 120.0° |
| C2 | C3 | N5 | C6 | 113.2° | 120.0° |
| C2 | C3 | N5 | N13 | 69.0° | 59.9° |
| C2 | C3 | C4 | H1 | 180.0° | 60.0° |
| C2 | C3 | C4 | H2 | 60.0° | 60.0° |
| C2 | C3 | C4 | H3 | 60.0° | 180.0° |
| C3 | C2 | C1 | H7 | 180.0° | 180.0° |
| C3 | C2 | C1 | H8 | 60.0° | 60.0° |
| C3 | C2 | C1 | H9 | 60.0° | 60.0° |
| C3 | C2 | H10 | H11 | 120.0° | 119.9° |
| C3 | N5 | C6 | N13 | 178.1° | 179.9° |
| C3 | N5 | C6 | C11 | 178.9° | 180.0° |
| C3 | N5 | N13 | C12 | 178.6° | 180.0° |
| N5 | C3 | C4 | H1 | 58.9° | 60.0° |
| N5 | C3 | C4 | H2 | 61.1° | 180.0° |
| N5 | C3 | C4 | H3 | 178.9° | 60.0° |
| N5 | C3 | C2 | H10 | 34.7° | 64.9° |
| N5 | C3 | C2 | H11 | 154.7° | 55.0° |
| N9 | C10 | C11 | C6 | 0.4° | 0.2° |
| N9 | C10 | C11 | H5 | 180.0° | 179.8° |
| N9 | C10 | C11 | C12 | 178.1° | 179.7° |
| N5 | C6 | C11 | C10 | 179.6° | 180.0° |
| N5 | C6 | C11 | C12 | 1.5° | 0.0° |
| C6 | N5 | N13 | C12 | 3.2° | 0.1° |
| N5 | C6 | C7 | H4 | 0.7° | 0.1° |
| C6 | N5 | C3 | H6 | 7.7° | 0.1° |
| C11 | C6 | N5 | N13 | 0.8° | 0.1° |
| C6 | C11 | C10 | C12 | 178.5° | 179.9° |
| C6 | C11 | C12 | N13 | 3.4° | 0.1° |
| C6 | C11 | C12 | N14 | 167.0° | 180.0° |
| C11 | C6 | C7 | H4 | 179.6° | 179.7° |
| C6 | C11 | C10 | H5 | 179.6° | 179.9° |
| N5 | N13 | C12 | C11 | 4.1° | 0.1° |
| N5 | N13 | C12 | N14 | 168.1° | 180.0° |
| N13 | N5 | C3 | H6 | 170.1° | 180.0° |
| C10 | C11 | C12 | N13 | 177.9° | 180.0° |
| C10 | C11 | C12 | N14 | 14.3° | 0.1° |
| C11 | C12 | N13 | N14 | 164.0° | 179.9° |
| C11 | C12 | N14 | C17 | 53.9° | 179.9° |
| C11 | C12 | N14 | C15 | 158.6° | 84.0° |
| C12 | C11 | C10 | H5 | 1.9° | 0.1° |
| N13 | C12 | N14 | C17 | 145.3° | 0.0° |
| N13 | C12 | N14 | C15 | 40.6° | 96.0° |
| C12 | N14 | C17 | C15 | 121.9° | 111.7° |
| C12 | N14 | C17 | C16 | 163.3° | 138.7° |
| C12 | N14 | C15 | C16 | 167.2° | 138.7° |
| C12 | N14 | C15 | H12 | 52.4° | 24.0° |
| C12 | N14 | C15 | H13 | 78.0° | 106.5° |
| C12 | N14 | C17 | H15 | 81.9° | 106.5° |
| C12 | N14 | C17 | H16 | 48.6° | 23.9° |
| N14 | C17 | C16 | H15 | 114.7° | 114.8° |
| N14 | C17 | C16 | H16 | 114.8° | 114.7° |
| C17 | N14 | C15 | C16 | 41.6° | 27.0° |
| N14 | C17 | C16 | C18 | 155.5° | 139.6° |
| C17 | N14 | C15 | H12 | 73.2° | 87.8° |
| C17 | N14 | C15 | H13 | 156.4° | 141.7° |
| N14 | C17 | C16 | H14 | 70.9° | 87.6° |
| N14 | C17 | H15 | H16 | 133.5° | 130.7° |
| N14 | C15 | C16 | H12 | 114.8° | 114.8° |
| N14 | C15 | C16 | H13 | 114.8° | 114.8° |
| N14 | C15 | C16 | C18 | 156.1° | 139.7° |
| N14 | C15 | H12 | H13 | 133.4° | 130.9° |
| N14 | C15 | C16 | H14 | 70.8° | 87.9° |
| C15 | N14 | C17 | H15 | 156.2° | 141.8° |
| C15 | N14 | C17 | H16 | 73.3° | 87.8° |
| C17 | C16 | C15 | C18 | 116.6° | 113.7° |
| C17 | C16 | C15 | H14 | 110.3° | 113.9° |
| C17 | C16 | C18 | H14 | 133.6° | 133.3° |
| C17 | C16 | C18 | O21 | 37.3° | 33.8° |
| C17 | C16 | C18 | C20 | 84.6° | 86.2° |
| C17 | C16 | C18 | C19 | 158.1° | 153.9° |
| C17 | C16 | C15 | H12 | 75.3° | 88.8° |
| C17 | C16 | C15 | H13 | 154.3° | 140.8° |
| C16 | C17 | H15 | H16 | 133.5° | 130.8° |
| C15 | C16 | C18 | H14 | 133.0° | 132.9° |
| C15 | C16 | C18 | O21 | 56.1° | 60.0° |
| C15 | C16 | C18 | C20 | 178.0° | 180.0° |
| C15 | C16 | C18 | C19 | 64.7° | 60.0° |
| C16 | C15 | H12 | H13 | 133.4° | 130.8° |
| C15 | C16 | C17 | H15 | 154.3° | 140.8° |
| C15 | C16 | C17 | H16 | 75.2° | 88.7° |
| C16 | C18 | O21 | C20 | 120.9° | 120.0° |
| C16 | C18 | O21 | C19 | 120.9° | 120.1° |
| C16 | C18 | C20 | C19 | 118.6° | 120.0° |
| C18 | C16 | C15 | H12 | 41.4° | 24.9° |
| C18 | C16 | C15 | H13 | 89.1° | 105.5° |
| C18 | C16 | C17 | H15 | 89.8° | 105.6° |
| C18 | C16 | C17 | H16 | 40.7° | 24.9° |
| C16 | C18 | C19 | H17 | 180.0° | 59.9° |
| C16 | C18 | C19 | H18 | 60.0° | 180.0° |
| C16 | C18 | C19 | H19 | 60.0° | 60.0° |
| C16 | C18 | C20 | H20 | 180.0° | 60.0° |
| C16 | C18 | C20 | H21 | 60.0° | 180.0° |
| C16 | C18 | C20 | H22 | 60.0° | 60.0° |
| C16 | C18 | O21 | H23 | 180.0° | 60.0° |
| O21 | C18 | C20 | C19 | 119.5° | 120.0° |
| O21 | C18 | C16 | H14 | 170.9° | 167.1° |
| O21 | C18 | C19 | H17 | 58.5° | 180.0° |
| O21 | C18 | C19 | H18 | 61.5° | 60.0° |
| O21 | C18 | C19 | H19 | 178.5° | 60.1° |
| O21 | C18 | C20 | H20 | 58.1° | 60.0° |
| O21 | C18 | C20 | H21 | 178.1° | 60.0° |
| O21 | C18 | C20 | H22 | 61.9° | 180.0° |
| C20 | C18 | C16 | H14 | 49.0° | 47.1° |
| C20 | C18 | C19 | H17 | 61.7° | 60.1° |
| C20 | C18 | C19 | H18 | 178.3° | 60.0° |
| C20 | C18 | C19 | H19 | 58.3° | 180.0° |
| C18 | C20 | H20 | H21 | 120.0° | 120.0° |
| C18 | C20 | H20 | H22 | 120.0° | 120.0° |
| C18 | C20 | H21 | H22 | 120.0° | 120.0° |
| C20 | C18 | O21 | H23 | 59.1° | 60.0° |
| C19 | C18 | C16 | H14 | 68.3° | 72.9° |
| C18 | C19 | H17 | H18 | 120.0° | 120.1° |
| C18 | C19 | H17 | H19 | 120.0° | 119.9° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C19 | C18 | C20 | H20 | 61.4° | 179.9° |
| C19 | C18 | C20 | H21 | 58.6° | 60.0° |
| C19 | C18 | C20 | H22 | 178.6° | 60.0° |
| C19 | C18 | O21 | H23 | 59.1° | 179.9° |
| H1 | C4 | H2 | H3 | 120.0° | 120.0° |
| H1 | C4 | C3 | H6 | 61.5° | 180.0° |
| H2 | C4 | C3 | H6 | 178.5° | 60.0° |
| H3 | C4 | C3 | H6 | 58.5° | 60.0° |
| H6 | C3 | C2 | H10 | 155.9° | 175.1° |
| H6 | C3 | C2 | H11 | 84.1° | 65.0° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H10 | 60.0° | 60.0° |
| H7 | C1 | C2 | H11 | 60.0° | 60.0° |
| H8 | C1 | C2 | H10 | 60.0° | 179.9° |
| H8 | C1 | C2 | H11 | 180.0° | 59.9° |
| H9 | C1 | C2 | H10 | 180.0° | 60.0° |
| H9 | C1 | C2 | H11 | 60.0° | 180.0° |
| H12 | C15 | C16 | H14 | 174.4° | 157.4° |
| H13 | C15 | C16 | H14 | 44.0° | 27.0° |
| H14 | C16 | C17 | H15 | 43.9° | 27.2° |
| H14 | C16 | C17 | H16 | 174.4° | 157.6° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H25 | C24 | C25 | H26 | 1.4° | 0.0° |
| H29 | C37 | C38 | H30 | 1.4° | 0.0° |
| H29 | C37 | C38 | H31 | 142.3° | 145.0° |
| H29 | C37 | C39 | H32 | 1.3° | 145.0° |
| H29 | C37 | C39 | H33 | 142.3° | 0.1° |
| H30 | C38 | C39 | H32 | 0.1° | 145.1° |
| H30 | C38 | C39 | H33 | 141.0° | 0.0° |
| H31 | C38 | C39 | H32 | 140.9° | 0.0° |
| H31 | C38 | C39 | H33 | 0.0° | 145.1° |
