9U4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C3 | doub | 1.22Å | 1.23Å | |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| C3 | N5 | sing | 1.35Å | 1.35Å | |
| C6 | N5 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| N5 | C38 | sing | 1.47Å | 1.48Å | |
| C38 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N12 | sing | 1.34Å | 1.34Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C10 | N19 | sing | 1.40Å | 1.40Å | |
| C10 | N11 | doub | 1.32Å | 1.32Å | Aromatic |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| N12 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| N19 | C24 | sing | 1.40Å | 1.41Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C23 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C28 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C35 | sing | 1.51Å | 1.51Å | |
| F37 | C35 | sing | 1.40Å | 1.40Å | |
| F36 | C35 | sing | 1.40Å | 1.40Å | |
| C27 | C29 | sing | 1.48Å | 1.49Å | |
| C29 | C30 | sing | 1.41Å | 1.40Å | Aromatic |
| C29 | C33 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | N31 | doub | 1.31Å | 1.31Å | Aromatic |
| C33 | N32 | sing | 1.35Å | 1.35Å | Aromatic |
| N31 | N32 | sing | 1.40Å | 1.40Å | Aromatic |
| N32 | C34 | sing | 1.46Å | 1.47Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H25 | sing | 1.08Å | 1.08Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C3 | N2 | 122.5° | 120.0° |
| O4 | C3 | N5 | 119.6° | 120.0° |
| C1 | N2 | C3 | 121.0° | 120.0° |
| C1 | N2 | H8 | 119.5° | 120.0° |
| N2 | C1 | H9 | 109.5° | 109.4° |
| N2 | C1 | H10 | 109.5° | 109.5° |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C3 | N5 | 117.9° | 120.0° |
| C3 | N2 | H8 | 119.5° | 120.0° |
| C3 | N5 | C6 | 119.4° | 120.8° |
| C3 | N5 | C38 | 121.5° | 120.9° |
| N5 | C6 | C7 | 109.2° | 109.2° |
| C6 | N5 | C38 | 119.1° | 118.3° |
| N5 | C6 | H3 | 109.5° | 109.5° |
| N5 | C6 | H4 | 109.6° | 109.5° |
| C6 | C7 | C8 | 109.3° | 108.8° |
| C7 | C6 | H3 | 109.6° | 109.5° |
| C7 | C6 | H4 | 109.6° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.7° |
| C6 | C7 | H6 | 109.5° | 109.6° |
| N5 | C38 | C9 | 105.7° | 107.3° |
| N5 | C38 | H32 | 110.4° | 109.9° |
| N5 | C38 | H33 | 110.4° | 109.9° |
| C38 | C9 | C8 | 122.7° | 123.9° |
| C38 | C9 | C10 | 130.5° | 128.0° |
| C9 | C38 | H32 | 110.4° | 109.9° |
| C9 | C38 | H33 | 110.4° | 109.9° |
| C7 | C8 | C9 | 126.1° | 124.4° |
| C7 | C8 | N12 | 125.4° | 127.8° |
| C8 | C7 | H5 | 109.5° | 109.5° |
| C8 | C7 | H6 | 109.5° | 109.5° |
| C8 | C9 | C10 | 106.8° | 108.1° |
| C9 | C8 | N12 | 108.5° | 107.8° |
| C9 | C10 | N19 | 127.1° | 126.0° |
| C9 | C10 | N11 | 108.4° | 107.9° |
| C8 | N12 | C13 | 126.2° | 125.9° |
| C8 | N12 | N11 | 107.8° | 108.0° |
| N19 | C20 | C21 | 108.7° | 107.8° |
| C20 | N19 | C10 | 120.0° | 120.6° |
| C20 | N19 | C24 | 121.7° | 118.9° |
| N19 | C20 | H18 | 109.7° | 109.8° |
| N19 | C20 | H19 | 109.7° | 109.7° |
| C20 | C21 | C22 | 113.5° | 108.9° |
| C21 | C20 | H18 | 109.7° | 109.8° |
| C21 | C20 | H19 | 109.7° | 109.8° |
| C20 | C21 | H20 | 108.5° | 109.6° |
| C20 | C21 | H21 | 108.5° | 109.6° |
| N19 | C10 | N11 | 124.4° | 126.1° |
| C10 | N19 | C24 | 118.2° | 120.6° |
| C10 | N11 | N12 | 108.4° | 108.2° |
| C13 | N12 | N11 | 125.9° | 126.0° |
| N12 | C13 | C18 | 109.3° | 109.5° |
| N12 | C13 | C14 | 108.9° | 109.5° |
| N12 | C13 | H7 | 110.3° | 109.6° |
| N19 | C24 | C23 | 121.0° | 120.8° |
| N19 | C24 | C25 | 120.1° | 119.0° |
| C21 | C22 | C23 | 112.5° | 110.5° |
| C22 | C21 | H20 | 108.4° | 109.6° |
| C22 | C21 | H21 | 108.4° | 109.6° |
| C21 | C22 | H22 | 108.7° | 109.3° |
| C21 | C22 | H23 | 108.7° | 109.3° |
| C18 | C13 | C14 | 109.7° | 109.0° |
| C13 | C18 | C17 | 110.0° | 109.1° |
| C18 | C13 | H7 | 109.4° | 109.6° |
| C13 | C18 | H16 | 109.4° | 109.6° |
| C13 | C18 | H17 | 109.3° | 109.5° |
| C13 | C14 | C15 | 108.9° | 109.1° |
| C13 | C14 | H1 | 109.6° | 109.6° |
| C13 | C14 | H2 | 109.6° | 109.6° |
| C14 | C13 | H7 | 109.3° | 109.6° |
| C22 | C23 | C24 | 120.8° | 121.5° |
| C22 | C23 | C28 | 119.3° | 118.8° |
| C23 | C22 | H22 | 108.7° | 109.2° |
| C23 | C22 | H23 | 108.7° | 109.3° |
| C23 | C24 | C25 | 118.9° | 120.2° |
| C24 | C23 | C28 | 119.9° | 119.7° |
| C24 | C25 | C26 | 121.9° | 120.2° |
| C24 | C25 | H24 | 119.1° | 119.9° |
| C18 | C17 | O16 | 109.9° | 109.4° |
| C18 | C17 | H14 | 109.4° | 109.5° |
| C18 | C17 | H15 | 109.4° | 109.5° |
| C17 | C18 | H16 | 109.3° | 109.5° |
| C17 | C18 | H17 | 109.4° | 109.6° |
| C14 | C15 | O16 | 106.9° | 109.4° |
| C15 | C14 | H1 | 109.6° | 109.5° |
| C15 | C14 | H2 | 109.6° | 109.5° |
| C14 | C15 | H12 | 110.1° | 109.5° |
| C14 | C15 | H13 | 110.1° | 109.5° |
| C23 | C28 | C27 | 121.6° | 120.2° |
| C23 | C28 | H25 | 119.2° | 119.9° |
| C25 | C26 | C27 | 119.2° | 119.7° |
| C25 | C26 | C35 | 118.5° | 120.1° |
| C26 | C25 | H24 | 119.1° | 119.9° |
| C15 | O16 | C17 | 114.5° | 114.1° |
| O16 | C15 | H12 | 110.1° | 109.4° |
| O16 | C15 | H13 | 110.1° | 109.5° |
| O16 | C17 | H14 | 109.4° | 109.5° |
| O16 | C17 | H15 | 109.4° | 109.4° |
| C28 | C27 | C26 | 118.5° | 120.0° |
| C28 | C27 | C29 | 117.8° | 120.0° |
| C27 | C28 | H25 | 119.2° | 119.9° |
| C27 | C26 | C35 | 122.3° | 120.2° |
| C26 | C27 | C29 | 123.7° | 120.0° |
| C26 | C35 | F37 | 109.5° | 109.5° |
| C26 | C35 | F36 | 111.2° | 109.5° |
| C26 | C35 | H31 | 108.3° | 109.5° |
| F37 | C35 | F36 | 108.2° | 109.5° |
| F37 | C35 | H31 | 109.8° | 109.4° |
| F36 | C35 | H31 | 109.8° | 109.5° |
| C27 | C29 | C30 | 129.7° | 126.2° |
| C27 | C29 | C33 | 123.9° | 126.3° |
| C30 | C29 | C33 | 106.4° | 107.5° |
| C29 | C30 | N31 | 109.4° | 108.1° |
| C29 | C30 | H26 | 125.3° | 125.9° |
| C29 | C33 | N32 | 108.4° | 107.6° |
| C29 | C33 | H27 | 125.8° | 126.2° |
| C30 | N31 | N32 | 107.8° | 108.5° |
| N31 | C30 | H26 | 125.3° | 126.0° |
| C33 | N32 | N31 | 107.9° | 108.2° |
| C33 | N32 | C34 | 125.7° | 125.9° |
| N32 | C33 | H27 | 125.8° | 126.2° |
| N31 | N32 | C34 | 126.3° | 125.9° |
| N32 | C34 | H28 | 109.5° | 109.5° |
| N32 | C34 | H29 | 109.5° | 109.5° |
| N32 | C34 | H30 | 109.4° | 109.5° |
| H1 | C14 | H2 | 109.4° | 109.5° |
| H3 | C6 | H4 | 109.4° | 109.6° |
| H5 | C7 | H6 | 109.5° | 109.7° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H9 | C1 | H11 | 109.4° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H18 | C20 | H19 | 109.4° | 109.8° |
| H20 | C21 | H21 | 109.5° | 109.6° |
| H22 | C22 | H23 | 109.5° | 109.2° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H28 | C34 | H30 | 109.5° | 109.4° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H32 | C38 | H33 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C3 | N2 | C1 | 0.1° | 5.0° |
| O4 | C3 | N2 | N5 | 179.9° | 179.9° |
| O4 | C3 | N5 | C6 | 0.7° | 5.1° |
| O4 | C3 | N5 | C38 | 178.0° | 175.0° |
| O4 | C3 | N2 | H8 | 179.9° | 174.9° |
| C1 | N2 | C3 | H8 | 180.0° | 179.9° |
| C1 | N2 | C3 | N5 | 180.0° | 174.9° |
| N2 | C1 | H9 | H10 | 120.0° | 120.0° |
| N2 | C1 | H9 | H11 | 120.0° | 120.0° |
| N2 | C1 | H10 | H11 | 120.0° | 120.0° |
| N2 | C3 | N5 | C6 | 179.5° | 175.0° |
| N2 | C3 | N5 | C38 | 1.9° | 4.9° |
| C3 | N2 | C1 | H9 | 180.0° | 60.1° |
| C3 | N2 | C1 | H10 | 60.0° | 180.0° |
| C3 | N2 | C1 | H11 | 60.0° | 59.9° |
| C3 | N5 | C6 | C38 | 178.7° | 179.9° |
| C3 | N5 | C6 | C7 | 113.6° | 115.5° |
| C3 | N5 | C38 | C9 | 129.3° | 135.7° |
| C3 | N5 | C6 | H3 | 6.4° | 4.5° |
| C3 | N5 | C6 | H4 | 126.5° | 124.6° |
| N5 | C3 | N2 | H8 | 0.0° | 5.2° |
| C3 | N5 | C38 | H32 | 111.3° | 104.8° |
| C3 | N5 | C38 | H33 | 9.9° | 16.2° |
| N5 | C6 | C7 | H3 | 119.9° | 119.9° |
| N5 | C6 | C7 | H4 | 120.0° | 119.9° |
| C6 | N5 | C38 | C9 | 49.3° | 44.2° |
| N5 | C6 | C7 | C8 | 40.4° | 45.4° |
| N5 | C6 | H3 | H4 | 120.1° | 120.2° |
| N5 | C6 | C7 | H5 | 79.5° | 165.2° |
| N5 | C6 | C7 | H6 | 160.4° | 74.4° |
| C6 | N5 | C38 | H32 | 70.0° | 75.3° |
| C6 | N5 | C38 | H33 | 168.7° | 163.7° |
| C7 | C6 | N5 | C38 | 65.1° | 64.5° |
| C6 | C7 | C8 | H5 | 120.0° | 119.9° |
| C6 | C7 | C8 | H6 | 119.9° | 119.8° |
| C6 | C7 | C8 | C9 | 13.2° | 18.0° |
| C6 | C7 | C8 | N12 | 166.7° | 162.0° |
| C7 | C6 | H3 | H4 | 120.1° | 120.1° |
| C6 | C7 | H5 | H6 | 120.1° | 120.4° |
| N5 | C38 | C9 | H32 | 119.4° | 119.5° |
| N5 | C38 | C9 | H33 | 119.4° | 119.5° |
| N5 | C38 | C9 | C8 | 15.6° | 11.3° |
| N5 | C38 | C9 | C10 | 165.3° | 169.0° |
| C38 | N5 | C6 | H3 | 174.9° | 175.6° |
| C38 | N5 | C6 | H4 | 54.8° | 55.4° |
| N5 | C38 | H32 | H33 | 121.8° | 121.1° |
| C38 | C9 | C8 | C7 | 0.5° | 0.5° |
| C38 | C9 | C8 | C10 | 179.3° | 179.8° |
| C38 | C9 | C8 | N12 | 179.4° | 179.5° |
| C38 | C9 | C10 | N19 | 2.1° | 0.5° |
| C38 | C9 | C10 | N11 | 179.3° | 179.6° |
| C9 | C38 | H32 | H33 | 121.8° | 121.0° |
| C7 | C8 | C9 | N12 | 179.9° | 180.0° |
| C7 | C8 | C9 | C10 | 179.7° | 179.7° |
| C7 | C8 | N12 | C13 | 0.9° | 0.2° |
| C7 | C8 | N12 | N11 | 179.7° | 179.7° |
| C8 | C7 | C6 | H3 | 160.4° | 165.3° |
| C8 | C7 | C6 | H4 | 79.6° | 74.5° |
| C8 | C7 | H5 | H6 | 120.1° | 120.2° |
| C8 | C9 | C10 | N19 | 178.7° | 179.8° |
| C8 | C9 | C10 | N11 | 0.1° | 0.2° |
| C9 | C8 | N12 | C13 | 179.2° | 179.8° |
| C9 | C8 | N12 | N11 | 0.2° | 0.3° |
| C9 | C8 | C7 | H5 | 106.8° | 137.8° |
| C9 | C8 | C7 | H6 | 133.1° | 101.9° |
| C8 | C9 | C38 | H32 | 103.8° | 108.2° |
| C8 | C9 | C38 | H33 | 135.0° | 130.8° |
| C10 | C9 | C8 | N12 | 0.2° | 0.3° |
| C9 | C10 | N19 | C20 | 56.1° | 85.4° |
| C9 | C10 | N19 | N11 | 178.4° | 179.9° |
| C9 | C10 | N11 | N12 | 0.0° | 0.0° |
| C9 | C10 | N19 | C24 | 120.0° | 94.6° |
| C10 | C9 | C38 | H32 | 75.3° | 71.5° |
| C10 | C9 | C38 | H33 | 45.9° | 49.5° |
| C8 | N12 | N11 | C10 | 0.1° | 0.1° |
| C8 | N12 | C13 | N11 | 179.2° | 179.9° |
| C8 | N12 | C13 | C18 | 142.1° | 120.0° |
| C8 | N12 | C13 | C14 | 98.1° | 120.5° |
| N12 | C8 | C7 | H5 | 73.3° | 42.2° |
| N12 | C8 | C7 | H6 | 46.8° | 78.1° |
| C8 | N12 | C13 | H7 | 21.8° | 0.3° |
| N19 | C20 | C21 | H18 | 119.9° | 119.6° |
| N19 | C20 | C21 | H19 | 119.9° | 119.5° |
| C20 | N19 | C10 | C24 | 176.1° | 180.0° |
| C20 | N19 | C10 | N11 | 125.5° | 94.7° |
| N19 | C20 | C21 | C22 | 53.3° | 63.3° |
| C20 | N19 | C24 | C23 | 13.1° | 13.5° |
| C20 | N19 | C24 | C25 | 167.2° | 166.7° |
| N19 | C20 | H18 | H19 | 120.4° | 120.8° |
| N19 | C20 | C21 | H20 | 67.3° | 56.6° |
| N19 | C20 | C21 | H21 | 173.9° | 176.9° |
| C21 | C20 | N19 | C10 | 145.2° | 135.3° |
| C21 | C20 | N19 | C24 | 38.8° | 44.7° |
| C20 | C21 | C22 | H20 | 120.6° | 119.8° |
| C20 | C21 | C22 | H21 | 120.6° | 119.8° |
| C20 | C21 | C22 | C23 | 43.2° | 51.4° |
| C21 | C20 | H18 | H19 | 120.4° | 120.9° |
| C20 | C21 | H20 | H21 | 118.2° | 120.3° |
| C20 | C21 | C22 | H22 | 163.6° | 171.6° |
| C20 | C21 | C22 | H23 | 77.3° | 68.9° |
| N19 | C10 | N11 | N12 | 178.7° | 179.9° |
| C10 | N19 | C24 | C23 | 170.8° | 166.5° |
| C10 | N19 | C24 | C25 | 8.9° | 13.3° |
| C10 | N19 | C20 | H18 | 25.3° | 105.2° |
| C10 | N19 | C20 | H19 | 94.9° | 15.7° |
| C10 | N11 | N12 | C13 | 179.3° | 179.9° |
| N11 | C10 | N19 | C24 | 58.4° | 85.3° |
| N12 | C13 | C18 | C14 | 119.4° | 119.8° |
| N12 | C13 | C18 | H7 | 120.8° | 120.3° |
| N12 | C13 | C14 | H7 | 120.5° | 120.2° |
| N12 | C13 | C18 | C17 | 172.9° | 176.8° |
| N12 | C13 | C14 | C15 | 177.2° | 176.9° |
| N12 | C13 | C14 | H1 | 57.3° | 56.9° |
| N12 | C13 | C14 | H2 | 62.9° | 63.2° |
| N12 | C13 | C18 | H16 | 67.0° | 63.3° |
| N12 | C13 | C18 | H17 | 52.8° | 56.9° |
| N11 | N12 | C13 | C18 | 38.7° | 60.0° |
| N11 | N12 | C13 | C14 | 81.1° | 59.6° |
| N11 | N12 | C13 | H7 | 158.9° | 179.8° |
| N19 | C24 | C23 | C22 | 0.5° | 0.5° |
| N19 | C24 | C23 | C25 | 179.7° | 179.8° |
| N19 | C24 | C23 | C28 | 179.9° | 179.6° |
| N19 | C24 | C25 | C26 | 179.7° | 179.6° |
| C24 | N19 | C20 | H18 | 158.7° | 74.8° |
| C24 | N19 | C20 | H19 | 81.1° | 164.3° |
| N19 | C24 | C25 | H24 | 0.3° | 0.3° |
| C21 | C22 | C23 | H22 | 120.5° | 120.3° |
| C21 | C22 | C23 | H23 | 120.5° | 120.3° |
| C21 | C22 | C23 | C24 | 16.3° | 20.6° |
| C21 | C22 | C23 | C28 | 164.1° | 159.4° |
| C22 | C21 | C20 | H18 | 173.2° | 56.3° |
| C22 | C21 | C20 | H19 | 66.6° | 177.2° |
| C22 | C21 | H20 | H21 | 118.2° | 120.3° |
| C21 | C22 | H22 | H23 | 118.6° | 119.5° |
| C18 | C13 | C14 | H7 | 119.9° | 120.0° |
| C13 | C18 | C17 | H16 | 120.1° | 119.9° |
| C13 | C18 | C17 | H17 | 120.1° | 119.9° |
| C18 | C13 | C14 | C15 | 57.6° | 57.0° |
| C13 | C18 | C17 | O16 | 53.6° | 57.6° |
| C18 | C13 | C14 | H1 | 62.3° | 62.9° |
| C18 | C13 | C14 | H2 | 177.6° | 176.9° |
| C13 | C18 | C17 | H14 | 66.5° | 62.3° |
| C13 | C18 | C17 | H15 | 173.6° | 177.6° |
| C13 | C18 | H16 | H17 | 119.8° | 120.2° |
| C14 | C13 | C18 | C17 | 53.5° | 57.0° |
| C13 | C14 | C15 | H1 | 119.9° | 119.9° |
| C13 | C14 | C15 | H2 | 119.9° | 119.9° |
| C13 | C14 | C15 | O16 | 60.8° | 57.6° |
| C13 | C14 | H1 | H2 | 120.3° | 120.2° |
| C13 | C14 | C15 | H12 | 179.6° | 177.6° |
| C13 | C14 | C15 | H13 | 58.8° | 62.3° |
| C14 | C13 | C18 | H16 | 173.6° | 176.9° |
| C14 | C13 | C18 | H17 | 66.6° | 62.9° |
| C22 | C23 | C24 | C28 | 179.6° | 180.0° |
| C22 | C23 | C24 | C25 | 179.8° | 179.7° |
| C22 | C23 | C28 | C27 | 179.2° | 179.8° |
| C23 | C22 | C21 | H20 | 77.4° | 68.5° |
| C23 | C22 | C21 | H21 | 163.8° | 171.2° |
| C23 | C22 | H22 | H23 | 118.6° | 119.5° |
| C22 | C23 | C28 | H25 | 0.7° | 0.2° |
| C23 | C24 | C25 | C26 | 0.6° | 0.2° |
| C24 | C23 | C28 | C27 | 0.4° | 0.1° |
| C24 | C23 | C22 | H22 | 136.7° | 140.9° |
| C24 | C23 | C22 | H23 | 104.2° | 99.7° |
| C23 | C24 | C25 | H24 | 179.4° | 179.9° |
| C24 | C23 | C28 | H25 | 179.7° | 179.9° |
| C25 | C24 | C23 | C28 | 0.2° | 0.2° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| C24 | C25 | C26 | C35 | 179.2° | 180.0° |
| C18 | C17 | O16 | C15 | 61.5° | 61.2° |
| C18 | C17 | O16 | H14 | 120.1° | 120.0° |
| C18 | C17 | O16 | H15 | 120.1° | 120.0° |
| C17 | C18 | C13 | H7 | 66.3° | 62.9° |
| C18 | C17 | H14 | H15 | 119.8° | 120.1° |
| C17 | C18 | H16 | H17 | 119.8° | 120.2° |
| C14 | C15 | O16 | H12 | 119.6° | 120.0° |
| C14 | C15 | O16 | H13 | 119.6° | 120.0° |
| C14 | C15 | O16 | C17 | 64.7° | 61.2° |
| C15 | C14 | H1 | H2 | 120.3° | 120.1° |
| C15 | C14 | C13 | H7 | 62.2° | 62.9° |
| C14 | C15 | H12 | H13 | 121.2° | 120.1° |
| C23 | C28 | C27 | H25 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.5° | 0.0° |
| C23 | C28 | C27 | C29 | 179.4° | 180.0° |
| C28 | C23 | C22 | H22 | 43.7° | 39.2° |
| C28 | C23 | C22 | H23 | 75.4° | 80.3° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C25 | C26 | C27 | C35 | 179.6° | 180.0° |
| C25 | C26 | C35 | F37 | 96.9° | 130.4° |
| C25 | C26 | C35 | F36 | 22.5° | 109.6° |
| C25 | C26 | C27 | C29 | 178.9° | 180.0° |
| C25 | C26 | C35 | H31 | 143.3° | 10.4° |
| O16 | C15 | C14 | H1 | 59.1° | 62.3° |
| O16 | C15 | C14 | H2 | 179.3° | 177.6° |
| O16 | C15 | H12 | H13 | 121.2° | 120.0° |
| C15 | O16 | C17 | H14 | 58.6° | 58.8° |
| C15 | O16 | C17 | H15 | 178.5° | 178.9° |
| C17 | O16 | C15 | H12 | 175.7° | 178.9° |
| C17 | O16 | C15 | H13 | 54.9° | 58.8° |
| O16 | C17 | H14 | H15 | 119.8° | 120.0° |
| O16 | C17 | C18 | H16 | 173.7° | 177.6° |
| O16 | C17 | C18 | H17 | 66.5° | 62.3° |
| C28 | C27 | C26 | C29 | 178.7° | 179.9° |
| C28 | C27 | C26 | C35 | 179.7° | 179.9° |
| C28 | C27 | C29 | C30 | 126.2° | 123.5° |
| C28 | C27 | C29 | C33 | 51.7° | 56.1° |
| C27 | C26 | C35 | F37 | 82.6° | 49.6° |
| C27 | C26 | C35 | F36 | 157.9° | 70.4° |
| C26 | C27 | C29 | C30 | 55.1° | 56.6° |
| C26 | C27 | C29 | C33 | 127.1° | 123.8° |
| C27 | C26 | C25 | H24 | 179.6° | 180.0° |
| C26 | C27 | C28 | H25 | 179.5° | 180.0° |
| C27 | C26 | C35 | H31 | 37.1° | 169.6° |
| C26 | C35 | F37 | F36 | 121.3° | 120.0° |
| C26 | C35 | F37 | H31 | 118.8° | 120.1° |
| C26 | C35 | F36 | H31 | 119.9° | 120.1° |
| C35 | C26 | C27 | C29 | 1.5° | 0.0° |
| C35 | C26 | C25 | H24 | 0.8° | 0.0° |
| F37 | C35 | F36 | H31 | 119.9° | 119.9° |
| C27 | C29 | C30 | C33 | 178.1° | 179.7° |
| C27 | C29 | C30 | N31 | 180.0° | 180.0° |
| C27 | C29 | C33 | N32 | 179.2° | 180.0° |
| C29 | C27 | C28 | H25 | 0.7° | 0.0° |
| C27 | C29 | C30 | H26 | 0.0° | 0.2° |
| C27 | C29 | C33 | H27 | 0.8° | 0.1° |
| C29 | C30 | N31 | H26 | 180.0° | 179.9° |
| C30 | C29 | C33 | N32 | 0.9° | 0.3° |
| C29 | C30 | N31 | N32 | 2.0° | 0.2° |
| C30 | C29 | C33 | H27 | 179.0° | 179.7° |
| C33 | C29 | C30 | N31 | 1.8° | 0.3° |
| C29 | C33 | N32 | H27 | 180.0° | 179.9° |
| C29 | C33 | N32 | N31 | 0.2° | 0.2° |
| C29 | C33 | N32 | C34 | 179.1° | 180.0° |
| C33 | C29 | C30 | H26 | 178.1° | 179.8° |
| C30 | N31 | N32 | C33 | 1.4° | 0.0° |
| C30 | N31 | N32 | C34 | 179.7° | 179.8° |
| C33 | N32 | N31 | C34 | 178.9° | 179.8° |
| C33 | N32 | C34 | H28 | 178.8° | 90.1° |
| C33 | N32 | C34 | H29 | 58.7° | 150.0° |
| C33 | N32 | C34 | H30 | 61.2° | 29.9° |
| N32 | N31 | C30 | H26 | 178.0° | 179.9° |
| N31 | N32 | C33 | H27 | 179.8° | 179.9° |
| N31 | N32 | C34 | H28 | 0.0° | 90.2° |
| N31 | N32 | C34 | H29 | 120.0° | 29.8° |
| N31 | N32 | C34 | H30 | 120.0° | 149.9° |
| C34 | N32 | C33 | H27 | 0.9° | 0.0° |
| N32 | C34 | H28 | H29 | 120.0° | 120.0° |
| N32 | C34 | H28 | H30 | 120.0° | 120.0° |
| N32 | C34 | H29 | H30 | 120.0° | 120.0° |
| H1 | C14 | C13 | H7 | 177.8° | 177.2° |
| H1 | C14 | C15 | H12 | 60.5° | 57.6° |
| H1 | C14 | C15 | H13 | 178.7° | 177.7° |
| H2 | C14 | C13 | H7 | 57.7° | 57.0° |
| H2 | C14 | C15 | H12 | 59.7° | 62.5° |
| H2 | C14 | C15 | H13 | 61.1° | 57.6° |
| H3 | C6 | C7 | H5 | 40.4° | 74.9° |
| H3 | C6 | C7 | H6 | 79.7° | 45.5° |
| H4 | C6 | C7 | H5 | 160.5° | 45.2° |
| H4 | C6 | C7 | H6 | 40.4° | 165.7° |
| H7 | C13 | C18 | H16 | 53.8° | 57.0° |
| H7 | C13 | C18 | H17 | 173.6° | 177.1° |
| H8 | N2 | C1 | H9 | 0.0° | 120.0° |
| H8 | N2 | C1 | H10 | 120.0° | 0.1° |
| H8 | N2 | C1 | H11 | 120.0° | 119.9° |
| H9 | C1 | H10 | H11 | 120.0° | 120.0° |
| H14 | C17 | C18 | H16 | 53.6° | 57.6° |
| H14 | C17 | C18 | H17 | 173.4° | 177.7° |
| H15 | C17 | C18 | H16 | 66.3° | 62.5° |
| H15 | C17 | C18 | H17 | 53.5° | 57.6° |
| H18 | C20 | C21 | H20 | 52.6° | 176.2° |
| H18 | C20 | C21 | H21 | 66.2° | 63.5° |
| H19 | C20 | C21 | H20 | 172.9° | 62.9° |
| H19 | C20 | C21 | H21 | 54.0° | 57.4° |
| H20 | C21 | C22 | H22 | 43.1° | 51.8° |
| H20 | C21 | C22 | H23 | 162.1° | 171.2° |
| H21 | C21 | C22 | H22 | 75.8° | 68.6° |
| H21 | C21 | C22 | H23 | 43.3° | 50.9° |
| H28 | C34 | H29 | H30 | 120.0° | 120.0° |
