CZ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C31 | N32 | sing | 1.47Å | 1.49Å | |
| C32 | N32 | sing | 1.47Å | 1.48Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| N32 | C33 | sing | 1.47Å | 1.49Å | |
| C36 | N22 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C29 | C34 | sing | 1.53Å | 1.52Å | |
| C29 | C4 | sing | 1.51Å | 1.50Å | |
| N22 | N23 | sing | 1.40Å | 1.42Å | Aromatic |
| N22 | C21 | sing | 1.36Å | 1.34Å | Aromatic |
| N23 | C24 | doub | 1.31Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | O8 | sing | 1.36Å | 1.37Å | |
| C6 | C1 | doub | 1.39Å | 1.48Å | Aromatic |
| O8 | C9 | sing | 1.43Å | 1.45Å | |
| C24 | C20 | sing | 1.40Å | 1.48Å | Aromatic |
| C24 | S25 | sing | 1.76Å | 1.66Å | |
| O38 | S25 | doub | 1.42Å | 1.44Å | |
| C20 | N19 | sing | 1.41Å | 1.36Å | |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N12 | sing | 1.40Å | 1.34Å | |
| S25 | O37 | doub | 1.42Å | 1.46Å | |
| S25 | C26 | sing | 1.81Å | 1.69Å | |
| N12 | C13 | sing | 1.39Å | 1.35Å | |
| N18 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| N18 | C17 | sing | 1.33Å | 1.33Å | Aromatic |
| N19 | C17 | sing | 1.39Å | 1.35Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C13 | N14 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.47Å | Aromatic |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| N14 | C15 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.36Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.77Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| C36 | H22 | sing | 1.09Å | 1.10Å | |
| C36 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| N19 | H25 | sing | 0.97Å | 1.00Å | |
| N12 | H26 | sing | 0.97Å | 1.00Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C31 | N32 | 112.2° | 109.5° |
| C31 | C30 | C29 | 108.6° | 109.3° |
| C30 | C31 | H36 | 108.8° | 109.4° |
| C30 | C31 | H37 | 108.8° | 109.4° |
| C31 | C30 | H38 | 109.7° | 109.5° |
| C31 | C30 | H39 | 109.7° | 109.5° |
| C31 | N32 | C32 | 111.6° | 111.0° |
| C31 | N32 | C33 | 113.1° | 111.2° |
| N32 | C31 | H36 | 108.8° | 109.5° |
| N32 | C31 | H37 | 108.8° | 109.5° |
| C32 | N32 | C33 | 109.1° | 111.0° |
| N32 | C32 | H33 | 109.5° | 109.5° |
| N32 | C32 | H34 | 109.5° | 109.5° |
| N32 | C32 | H35 | 109.4° | 109.5° |
| C30 | C29 | C34 | 107.1° | 109.2° |
| C30 | C29 | C4 | 115.1° | 109.5° |
| C30 | C29 | H27 | 105.5° | 109.5° |
| C29 | C30 | H38 | 109.7° | 109.5° |
| C29 | C30 | H39 | 109.7° | 109.5° |
| N32 | C33 | C34 | 113.1° | 109.5° |
| N32 | C33 | H30 | 108.6° | 109.5° |
| N32 | C33 | H31 | 108.5° | 109.5° |
| C36 | N22 | N23 | 113.5° | 126.0° |
| C36 | N22 | C21 | 131.8° | 126.1° |
| N22 | C36 | H21 | 109.5° | 109.5° |
| N22 | C36 | H22 | 109.5° | 109.5° |
| N22 | C36 | H23 | 109.5° | 109.5° |
| C33 | C34 | C29 | 108.9° | 109.3° |
| C33 | C34 | H28 | 109.6° | 109.5° |
| C33 | C34 | H29 | 109.6° | 109.5° |
| C34 | C33 | H30 | 108.6° | 109.4° |
| C34 | C33 | H31 | 108.6° | 109.4° |
| C34 | C29 | C4 | 116.7° | 109.5° |
| C34 | C29 | H27 | 105.6° | 109.5° |
| C29 | C34 | H28 | 109.6° | 109.5° |
| C29 | C34 | H29 | 109.6° | 109.5° |
| C29 | C4 | C5 | 111.4° | 119.9° |
| C29 | C4 | C3 | 129.9° | 119.9° |
| C4 | C29 | H27 | 105.8° | 109.5° |
| N23 | N22 | C21 | 114.7° | 107.9° |
| N22 | N23 | C24 | 103.4° | 108.4° |
| N22 | C21 | C20 | 106.3° | 107.6° |
| N22 | C21 | H24 | 126.8° | 126.2° |
| N23 | C24 | C20 | 109.8° | 108.3° |
| N23 | C24 | S25 | 124.6° | 125.8° |
| C5 | C4 | C3 | 118.6° | 120.2° |
| C4 | C5 | C6 | 123.8° | 120.0° |
| C4 | C5 | H2 | 118.1° | 120.0° |
| C4 | C3 | C7 | 122.9° | 119.9° |
| C4 | C3 | C2 | 118.8° | 120.2° |
| C5 | C6 | O8 | 120.4° | 120.0° |
| C5 | C6 | C1 | 118.5° | 119.9° |
| C6 | C5 | H2 | 118.1° | 120.0° |
| C21 | C20 | C24 | 105.7° | 107.8° |
| C21 | C20 | N19 | 135.3° | 126.1° |
| C20 | C21 | H24 | 126.9° | 126.2° |
| C10 | C9 | C11 | 108.8° | 109.5° |
| C10 | C9 | O8 | 105.9° | 109.5° |
| C10 | C9 | H6 | 107.0° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.5° |
| C9 | C10 | H8 | 109.4° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C11 | C9 | O8 | 119.5° | 109.5° |
| C11 | C9 | H6 | 107.0° | 109.5° |
| C9 | C11 | H10 | 109.5° | 109.5° |
| C9 | C11 | H11 | 109.4° | 109.5° |
| C9 | C11 | H12 | 109.5° | 109.5° |
| C7 | C3 | C2 | 118.3° | 119.9° |
| C3 | C7 | H3 | 109.5° | 109.5° |
| C3 | C7 | H4 | 109.5° | 109.5° |
| C3 | C7 | H5 | 109.4° | 109.5° |
| C3 | C2 | C1 | 120.8° | 120.0° |
| C3 | C2 | H1 | 119.6° | 120.0° |
| O8 | C6 | C1 | 121.0° | 120.1° |
| C6 | O8 | C9 | 129.4° | 117.0° |
| C6 | C1 | C2 | 119.5° | 119.8° |
| C6 | C1 | N12 | 115.3° | 120.1° |
| O8 | C9 | H6 | 107.9° | 109.5° |
| C20 | C24 | S25 | 125.5° | 125.8° |
| C24 | C20 | N19 | 118.7° | 126.1° |
| C24 | S25 | O38 | 113.7° | 104.2° |
| C24 | S25 | O37 | 107.1° | 104.3° |
| C24 | S25 | C26 | 111.7° | 104.4° |
| O38 | S25 | O37 | 106.1° | 121.0° |
| O38 | S25 | C26 | 105.7° | 110.6° |
| C20 | N19 | C17 | 121.2° | 120.0° |
| C20 | N19 | H25 | 119.4° | 120.0° |
| C2 | C1 | N12 | 125.1° | 120.1° |
| C1 | C2 | H1 | 119.6° | 120.0° |
| C1 | N12 | C13 | 126.0° | 120.0° |
| C1 | N12 | H26 | 117.0° | 120.0° |
| O37 | S25 | C26 | 112.5° | 110.6° |
| S25 | C26 | C27 | 111.6° | 109.5° |
| S25 | C26 | C28 | 110.9° | 109.4° |
| S25 | C26 | H14 | 106.6° | 109.5° |
| N12 | C13 | N18 | 121.6° | 119.2° |
| N12 | C13 | N14 | 116.8° | 119.2° |
| C13 | N12 | H26 | 117.0° | 120.0° |
| C13 | N18 | C17 | 121.9° | 120.7° |
| N18 | C13 | N14 | 121.4° | 121.6° |
| N18 | C17 | N19 | 122.2° | 120.5° |
| N18 | C17 | C16 | 116.7° | 119.0° |
| N19 | C17 | C16 | 120.9° | 120.5° |
| C17 | N19 | H25 | 119.4° | 120.0° |
| C27 | C26 | C28 | 111.2° | 109.5° |
| C27 | C26 | H14 | 108.2° | 109.5° |
| C26 | C27 | H18 | 109.5° | 109.5° |
| C26 | C27 | H19 | 109.5° | 109.4° |
| C26 | C27 | H20 | 109.5° | 109.4° |
| C13 | N14 | C15 | 121.2° | 121.0° |
| C17 | C16 | C15 | 119.7° | 118.5° |
| C17 | C16 | CL1 | 119.9° | 120.7° |
| C28 | C26 | H14 | 108.3° | 109.4° |
| C26 | C28 | H15 | 109.5° | 109.4° |
| C26 | C28 | H16 | 109.5° | 109.5° |
| C26 | C28 | H17 | 109.5° | 109.5° |
| N14 | C15 | C16 | 119.1° | 119.3° |
| N14 | C15 | H13 | 120.5° | 120.4° |
| C15 | C16 | CL1 | 120.4° | 120.8° |
| C16 | C15 | H13 | 120.5° | 120.3° |
| H3 | C7 | H4 | 109.4° | 109.4° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H7 | C10 | H9 | 109.5° | 109.4° |
| H8 | C10 | H9 | 109.4° | 109.4° |
| H10 | C11 | H11 | 109.4° | 109.4° |
| H10 | C11 | H12 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.4° | 109.5° |
| H15 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C27 | H19 | 109.5° | 109.5° |
| H18 | C27 | H20 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.4° | 109.5° |
| H21 | C36 | H22 | 109.4° | 109.5° |
| H21 | C36 | H23 | 109.5° | 109.4° |
| H22 | C36 | H23 | 109.5° | 109.5° |
| H28 | C34 | H29 | 109.5° | 109.5° |
| H30 | C33 | H31 | 109.5° | 109.5° |
| H33 | C32 | H34 | 109.4° | 109.4° |
| H33 | C32 | H35 | 109.5° | 109.5° |
| H34 | C32 | H35 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H38 | C30 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C31 | N32 | H36 | 120.4° | 120.0° |
| C30 | C31 | N32 | H37 | 120.4° | 120.0° |
| C30 | C31 | N32 | C32 | 169.2° | 62.4° |
| C31 | C30 | C29 | H38 | 119.9° | 119.9° |
| C31 | C30 | C29 | H39 | 119.8° | 119.9° |
| C30 | C31 | N32 | C33 | 45.8° | 61.8° |
| C31 | C30 | C29 | C34 | 66.7° | 57.6° |
| C31 | C30 | C29 | C4 | 161.8° | 177.6° |
| C31 | C30 | C29 | H27 | 45.5° | 62.3° |
| C30 | C31 | H36 | H37 | 118.7° | 119.9° |
| C31 | C30 | H38 | H39 | 120.4° | 120.1° |
| C31 | N32 | C32 | C33 | 125.7° | 124.2° |
| N32 | C31 | C30 | C29 | 12.7° | 59.2° |
| C31 | N32 | C33 | C34 | 52.0° | 61.8° |
| C31 | N32 | C33 | H30 | 68.6° | 58.2° |
| C31 | N32 | C33 | H31 | 172.6° | 178.3° |
| C31 | N32 | C32 | H33 | 180.0° | 64.2° |
| C31 | N32 | C32 | H34 | 60.0° | 55.8° |
| C31 | N32 | C32 | H35 | 60.0° | 175.8° |
| N32 | C31 | H36 | H37 | 118.7° | 120.0° |
| N32 | C31 | C30 | H38 | 132.6° | 60.8° |
| N32 | C31 | C30 | H39 | 107.2° | 179.1° |
| C32 | N32 | C33 | C34 | 176.8° | 62.4° |
| C32 | N32 | C33 | H30 | 56.3° | 177.6° |
| C32 | N32 | C33 | H31 | 62.6° | 57.6° |
| N32 | C32 | H33 | H34 | 120.0° | 120.0° |
| N32 | C32 | H33 | H35 | 120.0° | 120.0° |
| N32 | C32 | H34 | H35 | 120.0° | 120.0° |
| C32 | N32 | C31 | H36 | 48.8° | 177.6° |
| C32 | N32 | C31 | H37 | 70.4° | 57.6° |
| C30 | C29 | C34 | C33 | 60.8° | 57.6° |
| C30 | C29 | C34 | C4 | 130.6° | 120.0° |
| C30 | C29 | C34 | H27 | 112.1° | 119.9° |
| C30 | C29 | C4 | H27 | 116.1° | 120.1° |
| C30 | C29 | C4 | C5 | 86.0° | 65.7° |
| C30 | C29 | C4 | C3 | 93.8° | 114.0° |
| C30 | C29 | C34 | H28 | 59.1° | 177.6° |
| C30 | C29 | C34 | H29 | 179.2° | 62.3° |
| C29 | C30 | C31 | H36 | 133.1° | 60.9° |
| C29 | C30 | C31 | H37 | 107.7° | 179.2° |
| C29 | C30 | H38 | H39 | 120.4° | 120.1° |
| N32 | C33 | C34 | H30 | 120.6° | 120.0° |
| N32 | C33 | C34 | H31 | 120.5° | 120.0° |
| N32 | C33 | C34 | C29 | 2.6° | 59.2° |
| N32 | C33 | C34 | H28 | 117.3° | 179.2° |
| N32 | C33 | C34 | H29 | 122.5° | 60.8° |
| N32 | C33 | H30 | H31 | 118.3° | 120.0° |
| C33 | N32 | C32 | H33 | 54.3° | 60.0° |
| C33 | N32 | C32 | H34 | 65.6° | 180.0° |
| C33 | N32 | C32 | H35 | 174.4° | 60.0° |
| C33 | N32 | C31 | H36 | 74.6° | 58.2° |
| C33 | N32 | C31 | H37 | 166.2° | 178.2° |
| C36 | N22 | N23 | C21 | 178.9° | 180.0° |
| C36 | N22 | N23 | C24 | 179.8° | 180.0° |
| C36 | N22 | C21 | C20 | 179.7° | 180.0° |
| N22 | C36 | H21 | H22 | 120.0° | 120.0° |
| N22 | C36 | H21 | H23 | 120.0° | 120.0° |
| N22 | C36 | H22 | H23 | 120.0° | 120.0° |
| C36 | N22 | C21 | H24 | 0.3° | 0.0° |
| C33 | C34 | C29 | H28 | 119.9° | 120.0° |
| C33 | C34 | C29 | H29 | 119.9° | 119.9° |
| C33 | C34 | C29 | C4 | 168.5° | 177.6° |
| C33 | C34 | C29 | H27 | 51.3° | 62.3° |
| C33 | C34 | H28 | H29 | 120.3° | 120.0° |
| C34 | C33 | H30 | H31 | 118.4° | 119.9° |
| C34 | C29 | C4 | H27 | 117.1° | 120.1° |
| C34 | C29 | C4 | C5 | 147.2° | 54.1° |
| C34 | C29 | C4 | C3 | 32.9° | 126.2° |
| C29 | C34 | H28 | H29 | 120.2° | 120.1° |
| C29 | C34 | C33 | H30 | 123.1° | 60.9° |
| C29 | C34 | C33 | H31 | 118.0° | 179.1° |
| C34 | C29 | C30 | H38 | 173.5° | 62.3° |
| C34 | C29 | C30 | H39 | 53.2° | 177.6° |
| C29 | C4 | C5 | C3 | 179.9° | 179.7° |
| C29 | C4 | C5 | C6 | 179.6° | 180.0° |
| C29 | C4 | C3 | C7 | 0.6° | 0.2° |
| C29 | C4 | C3 | C2 | 179.7° | 179.7° |
| C29 | C4 | C5 | H2 | 0.4° | 0.3° |
| C4 | C29 | C34 | H28 | 71.6° | 62.5° |
| C4 | C29 | C34 | H29 | 48.6° | 57.6° |
| C4 | C29 | C30 | H38 | 41.9° | 57.6° |
| C4 | C29 | C30 | H39 | 78.4° | 62.5° |
| N23 | N22 | C21 | C20 | 1.1° | 0.0° |
| N22 | N23 | C24 | C20 | 1.0° | 0.0° |
| N22 | N23 | C24 | S25 | 178.3° | 179.7° |
| N23 | N22 | C36 | H21 | 0.0° | 90.0° |
| N23 | N22 | C36 | H22 | 120.0° | 150.0° |
| N23 | N22 | C36 | H23 | 120.0° | 30.0° |
| N23 | N22 | C21 | H24 | 178.9° | 180.0° |
| C21 | N22 | N23 | C24 | 1.3° | 0.0° |
| N22 | C21 | C20 | H24 | 180.0° | 180.0° |
| N22 | C21 | C20 | C24 | 0.4° | 0.0° |
| N22 | C21 | C20 | N19 | 174.6° | 179.8° |
| C21 | N22 | C36 | H21 | 178.6° | 90.0° |
| C21 | N22 | C36 | H22 | 61.4° | 30.0° |
| C21 | N22 | C36 | H23 | 58.6° | 150.0° |
| N23 | C24 | C20 | C21 | 0.4° | 0.0° |
| N23 | C24 | C20 | S25 | 177.3° | 179.8° |
| N23 | C24 | S25 | O38 | 44.9° | 154.2° |
| N23 | C24 | C20 | N19 | 175.0° | 179.8° |
| N23 | C24 | S25 | O37 | 161.8° | 26.4° |
| N23 | C24 | S25 | C26 | 74.6° | 89.7° |
| C4 | C5 | C6 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | C7 | 179.2° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | O8 | 179.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.8° | 0.5° |
| C5 | C4 | C29 | H27 | 30.1° | 174.2° |
| C3 | C4 | C5 | C6 | 0.5° | 0.3° |
| C4 | C3 | C7 | C2 | 179.1° | 180.0° |
| C4 | C3 | C2 | C1 | 0.4° | 0.0° |
| C4 | C3 | C2 | H1 | 179.5° | 180.0° |
| C3 | C4 | C5 | H2 | 179.5° | 180.0° |
| C4 | C3 | C7 | H3 | 90.5° | 82.7° |
| C4 | C3 | C7 | H4 | 149.5° | 37.3° |
| C4 | C3 | C7 | H5 | 29.5° | 157.4° |
| C3 | C4 | C29 | H27 | 150.1° | 6.1° |
| C5 | C6 | O8 | C1 | 178.2° | 179.5° |
| C5 | C6 | O8 | C9 | 47.9° | 5.4° |
| C5 | C6 | C1 | C2 | 0.5° | 0.5° |
| C5 | C6 | C1 | N12 | 176.1° | 179.7° |
| C21 | C20 | C24 | N19 | 175.4° | 179.8° |
| C21 | C20 | C24 | S25 | 177.7° | 179.7° |
| C21 | C20 | N19 | C17 | 10.9° | 0.3° |
| C21 | C20 | N19 | H25 | 169.1° | 179.7° |
| C10 | C9 | C11 | O8 | 121.8° | 120.0° |
| C10 | C9 | C11 | H6 | 115.3° | 120.0° |
| C10 | C9 | O8 | C6 | 157.8° | 82.2° |
| C10 | C9 | O8 | H6 | 114.4° | 120.0° |
| C9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C9 | C10 | H7 | H9 | 120.0° | 120.0° |
| C9 | C10 | H8 | H9 | 120.0° | 120.0° |
| C10 | C9 | C11 | H10 | 180.0° | 60.0° |
| C10 | C9 | C11 | H11 | 60.0° | 180.0° |
| C10 | C9 | C11 | H12 | 60.0° | 60.0° |
| C11 | C9 | O8 | C6 | 34.6° | 157.8° |
| C11 | C9 | O8 | H6 | 122.5° | 120.0° |
| C11 | C9 | C10 | H7 | 180.0° | 59.9° |
| C11 | C9 | C10 | H8 | 60.0° | 180.0° |
| C11 | C9 | C10 | H9 | 60.0° | 60.0° |
| C9 | C11 | H10 | H11 | 120.0° | 120.0° |
| C9 | C11 | H10 | H12 | 120.0° | 120.0° |
| C9 | C11 | H11 | H12 | 120.0° | 120.0° |
| C7 | C3 | C2 | C1 | 179.6° | 180.0° |
| C7 | C3 | C2 | H1 | 0.4° | 0.0° |
| C3 | C7 | H3 | H4 | 120.0° | 120.0° |
| C3 | C7 | H3 | H5 | 120.0° | 120.0° |
| C3 | C7 | H4 | H5 | 120.0° | 120.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N12 | 176.4° | 180.0° |
| C2 | C3 | C7 | H3 | 90.4° | 97.4° |
| C2 | C3 | C7 | H4 | 29.6° | 142.7° |
| C2 | C3 | C7 | H5 | 149.6° | 22.6° |
| O8 | C6 | C1 | C2 | 178.7° | 179.9° |
| O8 | C6 | C1 | N12 | 2.1° | 0.2° |
| O8 | C6 | C5 | H2 | 1.0° | 0.3° |
| C6 | O8 | C9 | H6 | 87.9° | 37.8° |
| C1 | C6 | O8 | C9 | 133.9° | 174.2° |
| C6 | C1 | C2 | N12 | 176.2° | 179.8° |
| C6 | C1 | N12 | C13 | 161.3° | 148.7° |
| C6 | C1 | C2 | H1 | 179.8° | 179.8° |
| C1 | C6 | C5 | H2 | 179.2° | 179.8° |
| C6 | C1 | N12 | H26 | 18.8° | 31.2° |
| O8 | C9 | C10 | H7 | 50.3° | 179.9° |
| O8 | C9 | C10 | H8 | 170.3° | 60.0° |
| O8 | C9 | C10 | H9 | 69.7° | 60.0° |
| O8 | C9 | C11 | H10 | 58.2° | 59.9° |
| O8 | C9 | C11 | H11 | 61.8° | 60.0° |
| O8 | C9 | C11 | H12 | 178.2° | 180.0° |
| C20 | C24 | S25 | O38 | 138.2° | 26.1° |
| C20 | C24 | S25 | O37 | 21.3° | 153.9° |
| C20 | C24 | S25 | C26 | 102.3° | 90.0° |
| C24 | C20 | N19 | C17 | 162.8° | 180.0° |
| C24 | C20 | C21 | H24 | 179.5° | 180.0° |
| C24 | C20 | N19 | H25 | 17.3° | 0.0° |
| C24 | S25 | O38 | O37 | 117.4° | 116.7° |
| C24 | S25 | O38 | C26 | 122.9° | 111.7° |
| S25 | C24 | C20 | N19 | 2.3° | 0.0° |
| C24 | S25 | O37 | C26 | 123.1° | 111.7° |
| C24 | S25 | C26 | C27 | 60.2° | 55.0° |
| C24 | S25 | C26 | C28 | 64.3° | 175.0° |
| C24 | S25 | C26 | H14 | 178.1° | 65.1° |
| O38 | S25 | O37 | C26 | 115.2° | 131.6° |
| O38 | S25 | C26 | C27 | 63.9° | 56.6° |
| O38 | S25 | C26 | C28 | 171.6° | 63.4° |
| O38 | S25 | C26 | H14 | 54.0° | 176.6° |
| C20 | N19 | C17 | N18 | 8.2° | 0.0° |
| C20 | N19 | C17 | H25 | 180.0° | 179.9° |
| C20 | N19 | C17 | C16 | 166.8° | 180.0° |
| N19 | C20 | C21 | H24 | 5.4° | 0.2° |
| C2 | C1 | N12 | C13 | 15.1° | 31.1° |
| C2 | C1 | N12 | H26 | 164.9° | 149.0° |
| C1 | N12 | C13 | H26 | 180.0° | 179.9° |
| C1 | N12 | C13 | N18 | 10.8° | 174.6° |
| C1 | N12 | C13 | N14 | 165.1° | 5.6° |
| N12 | C1 | C2 | H1 | 3.6° | 0.0° |
| O37 | S25 | C26 | C27 | 179.3° | 166.7° |
| O37 | S25 | C26 | C28 | 56.2° | 73.3° |
| O37 | S25 | C26 | H14 | 61.4° | 46.6° |
| S25 | C26 | C27 | C28 | 124.3° | 120.0° |
| S25 | C26 | C27 | H14 | 116.9° | 120.0° |
| S25 | C26 | C28 | H14 | 116.6° | 120.0° |
| S25 | C26 | C28 | H15 | 180.0° | 60.0° |
| S25 | C26 | C28 | H16 | 60.0° | 180.0° |
| S25 | C26 | C28 | H17 | 60.0° | 60.0° |
| S25 | C26 | C27 | H18 | 180.0° | 60.0° |
| S25 | C26 | C27 | H19 | 60.0° | 60.0° |
| S25 | C26 | C27 | H20 | 60.0° | 180.0° |
| N12 | C13 | N18 | N14 | 175.6° | 179.8° |
| N12 | C13 | N18 | C17 | 176.1° | 179.8° |
| N12 | C13 | N14 | C15 | 176.4° | 179.8° |
| C13 | N18 | C17 | N19 | 175.1° | 180.0° |
| C13 | N18 | C17 | C16 | 0.1° | 0.0° |
| N18 | C13 | N14 | C15 | 0.6° | 0.0° |
| N18 | C13 | N12 | H26 | 169.3° | 5.5° |
| N18 | C17 | N19 | C16 | 175.0° | 180.0° |
| C17 | N18 | C13 | N14 | 0.5° | 0.0° |
| N18 | C17 | C16 | C15 | 0.2° | 0.0° |
| N18 | C17 | C16 | CL1 | 179.5° | 180.0° |
| N18 | C17 | N19 | H25 | 171.9° | 179.9° |
| N19 | C17 | C16 | C15 | 175.4° | 180.0° |
| N19 | C17 | C16 | CL1 | 5.3° | 0.0° |
| C27 | C26 | C28 | H14 | 118.7° | 120.1° |
| C27 | C26 | C28 | H15 | 55.3° | 59.9° |
| C27 | C26 | C28 | H16 | 64.7° | 60.0° |
| C27 | C26 | C28 | H17 | 175.3° | 180.0° |
| C26 | C27 | H18 | H19 | 120.0° | 120.0° |
| C26 | C27 | H18 | H20 | 120.0° | 120.0° |
| C26 | C27 | H19 | H20 | 120.0° | 120.0° |
| C13 | N14 | C15 | C16 | 0.3° | 0.1° |
| C13 | N14 | C15 | H13 | 179.6° | 180.0° |
| N14 | C13 | N12 | H26 | 14.9° | 174.3° |
| C17 | C16 | C15 | N14 | 0.0° | 0.1° |
| C17 | C16 | C15 | CL1 | 179.3° | 180.0° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C16 | C17 | N19 | H25 | 13.2° | 0.1° |
| C26 | C28 | H15 | H16 | 120.0° | 120.0° |
| C26 | C28 | H15 | H17 | 120.0° | 120.0° |
| C26 | C28 | H16 | H17 | 120.0° | 120.0° |
| C28 | C26 | C27 | H18 | 55.7° | 60.0° |
| C28 | C26 | C27 | H19 | 175.7° | 180.0° |
| C28 | C26 | C27 | H20 | 64.3° | 60.0° |
| N14 | C15 | C16 | H13 | 180.0° | 179.9° |
| N14 | C15 | C16 | CL1 | 179.3° | 180.0° |
| CL1 | C16 | C15 | H13 | 0.7° | 0.0° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H6 | C9 | C10 | H7 | 64.7° | 60.0° |
| H6 | C9 | C10 | H8 | 55.3° | 60.0° |
| H6 | C9 | C10 | H9 | 175.3° | 180.0° |
| H6 | C9 | C11 | H10 | 64.7° | 180.0° |
| H6 | C9 | C11 | H11 | 175.3° | 60.0° |
| H6 | C9 | C11 | H12 | 55.3° | 60.0° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | H11 | H12 | 120.0° | 120.0° |
| H14 | C26 | C28 | H15 | 63.4° | 180.0° |
| H14 | C26 | C28 | H16 | 176.6° | 60.0° |
| H14 | C26 | C28 | H17 | 56.6° | 60.0° |
| H14 | C26 | C27 | H18 | 63.1° | 180.0° |
| H14 | C26 | C27 | H19 | 56.9° | 60.0° |
| H14 | C26 | C27 | H20 | 176.9° | 60.0° |
| H15 | C28 | H16 | H17 | 120.0° | 120.0° |
| H18 | C27 | H19 | H20 | 120.0° | 120.1° |
| H21 | C36 | H22 | H23 | 120.0° | 120.0° |
| H27 | C29 | C34 | H28 | 171.2° | 57.6° |
| H27 | C29 | C34 | H29 | 68.6° | 177.7° |
| H27 | C29 | C30 | H38 | 74.4° | 177.8° |
| H27 | C29 | C30 | H39 | 165.3° | 57.6° |
| H28 | C34 | C33 | H30 | 3.2° | 59.1° |
| H28 | C34 | C33 | H31 | 122.1° | 60.9° |
| H29 | C34 | C33 | H30 | 117.0° | 179.2° |
| H29 | C34 | C33 | H31 | 2.0° | 59.2° |
| H33 | C32 | H34 | H35 | 120.0° | 120.0° |
| H36 | C31 | C30 | H38 | 107.0° | 179.2° |
| H36 | C31 | C30 | H39 | 13.2° | 59.1° |
| H37 | C31 | C30 | H38 | 12.2° | 59.2° |
| H37 | C31 | C30 | H39 | 132.4° | 60.9° |
