VCV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C31 | sing | 1.48Å | 1.47Å | |
| N7 | C30 | sing | 1.48Å | 1.48Å | |
| C16 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C29 | sing | 1.54Å | 1.56Å | |
| N1 | C15 | sing | 1.32Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C30 | C29 | sing | 1.54Å | 1.56Å | |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.35Å | Aromatic |
| C20 | C9 | sing | 1.53Å | 1.56Å | |
| C15 | C9 | sing | 1.51Å | 1.54Å | |
| C15 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| C29 | N6 | sing | 1.46Å | 1.46Å | |
| C14 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | N3 | sing | 1.46Å | 1.47Å | |
| N6 | C23 | sing | 1.40Å | 1.38Å | |
| N3 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.39Å | |
| C23 | C24 | sing | 1.41Å | 1.44Å | |
| C22 | C21 | sing | 1.41Å | 1.40Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.37Å | Aromatic |
| O3 | C24 | doub | 1.22Å | 1.24Å | |
| C5 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C24 | N5 | sing | 1.35Å | 1.38Å | |
| C21 | C3 | sing | 1.48Å | 1.48Å | |
| C21 | C25 | doub | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.46Å | 1.44Å | Aromatic |
| N5 | C25 | sing | 1.36Å | 1.38Å | |
| N5 | C28 | sing | 1.47Å | 1.46Å | |
| C6 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | N4 | sing | 1.40Å | 1.39Å | |
| N4 | S1 | sing | 1.66Å | 1.62Å | |
| O1 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | C26 | sing | 1.81Å | 1.78Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 0.97Å | 1.00Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N6 | H32 | sing | 0.97Å | 1.00Å | |
| N7 | H33 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N7 | C30 | 93.4° | 90.8° |
| N7 | C31 | C29 | 89.0° | 86.1° |
| N7 | C31 | H30 | 114.3° | 113.7° |
| N7 | C31 | H31 | 114.3° | 113.9° |
| C31 | N7 | H33 | 113.3° | 111.0° |
| N7 | C30 | C29 | 88.5° | 86.1° |
| N7 | C30 | H28 | 114.4° | 113.7° |
| N7 | C30 | H29 | 114.4° | 113.8° |
| C30 | N7 | H33 | 113.3° | 111.1° |
| N1 | C16 | C17 | 124.3° | 120.8° |
| C16 | N1 | C15 | 117.3° | 121.7° |
| N1 | C16 | H9 | 117.8° | 119.6° |
| C16 | C17 | C18 | 117.9° | 119.2° |
| C17 | C16 | H9 | 117.9° | 119.6° |
| C16 | C17 | H10 | 121.1° | 120.4° |
| C31 | C29 | C30 | 86.8° | 86.5° |
| C31 | C29 | N6 | 121.2° | 113.8° |
| C31 | C29 | H27 | 109.1° | 113.7° |
| C29 | C31 | H30 | 114.3° | 113.7° |
| C29 | C31 | H31 | 114.3° | 113.8° |
| N1 | C15 | C9 | 118.4° | 119.6° |
| N1 | C15 | C19 | 121.6° | 120.8° |
| C17 | C18 | C19 | 118.1° | 118.4° |
| C18 | C17 | H10 | 121.0° | 120.4° |
| C17 | C18 | H11 | 121.0° | 120.8° |
| C30 | C29 | N6 | 118.0° | 113.7° |
| C30 | C29 | H27 | 109.1° | 113.7° |
| C29 | C30 | H28 | 114.4° | 113.8° |
| C29 | C30 | H29 | 114.4° | 113.7° |
| C11 | C12 | C13 | 119.6° | 118.5° |
| C12 | C11 | C10 | 118.9° | 119.1° |
| C12 | C11 | H5 | 120.6° | 120.4° |
| C11 | C12 | H6 | 120.2° | 120.8° |
| C12 | C13 | C14 | 118.2° | 119.2° |
| C13 | C12 | H6 | 120.2° | 120.8° |
| C12 | C13 | H7 | 120.9° | 120.4° |
| C11 | C10 | N2 | 120.0° | 120.8° |
| C11 | C10 | C9 | 123.5° | 119.6° |
| C10 | C11 | H5 | 120.6° | 120.4° |
| C13 | C14 | N2 | 122.3° | 120.7° |
| C14 | C13 | H7 | 120.9° | 120.4° |
| C13 | C14 | H8 | 118.8° | 119.6° |
| C20 | C9 | C15 | 106.1° | 109.5° |
| C20 | C9 | C10 | 110.2° | 109.5° |
| C20 | C9 | N3 | 111.2° | 109.5° |
| C9 | C20 | H13 | 109.5° | 109.4° |
| C9 | C20 | H14 | 109.5° | 109.5° |
| C9 | C20 | H15 | 109.5° | 109.5° |
| C9 | C15 | C19 | 119.8° | 119.6° |
| C15 | C9 | C10 | 114.6° | 109.5° |
| C15 | C9 | N3 | 112.1° | 109.5° |
| C15 | C19 | C18 | 120.8° | 119.1° |
| C15 | C19 | H12 | 119.6° | 120.5° |
| N2 | C10 | C9 | 116.1° | 119.6° |
| C10 | N2 | C14 | 120.8° | 121.8° |
| C10 | C9 | N3 | 102.8° | 109.5° |
| C29 | N6 | C23 | 123.9° | 120.0° |
| N6 | C29 | H27 | 110.4° | 112.9° |
| C29 | N6 | H32 | 105.8° | 120.0° |
| N2 | C14 | H8 | 118.9° | 119.6° |
| C19 | C18 | H11 | 120.9° | 120.8° |
| C18 | C19 | H12 | 119.6° | 120.4° |
| C9 | N3 | C8 | 125.0° | 125.0° |
| C9 | N3 | C5 | 126.0° | 125.1° |
| N6 | C23 | C22 | 119.5° | 120.4° |
| N6 | C23 | C24 | 118.9° | 120.3° |
| C23 | N6 | H32 | 105.8° | 120.0° |
| C8 | N3 | C5 | 108.3° | 109.9° |
| N3 | C8 | C7 | 111.1° | 109.9° |
| N3 | C8 | H4 | 124.5° | 125.1° |
| N3 | C5 | C4 | 131.4° | 133.3° |
| N3 | C5 | C6 | 107.0° | 107.2° |
| C22 | C23 | C24 | 121.6° | 119.3° |
| C23 | C22 | C21 | 120.9° | 119.2° |
| C23 | C22 | H16 | 119.6° | 120.4° |
| C23 | C24 | O3 | 123.9° | 119.9° |
| C23 | C24 | N5 | 114.3° | 120.2° |
| C22 | C21 | C3 | 118.6° | 120.1° |
| C22 | C21 | C25 | 118.4° | 119.8° |
| C21 | C22 | H16 | 119.6° | 120.4° |
| C5 | C4 | C3 | 118.7° | 120.0° |
| C4 | C5 | C6 | 121.6° | 119.6° |
| C5 | C4 | H2 | 120.7° | 120.0° |
| C4 | C3 | C21 | 118.6° | 119.8° |
| C4 | C3 | C2 | 120.9° | 120.5° |
| C3 | C4 | H2 | 120.6° | 120.1° |
| C8 | C7 | C6 | 106.2° | 107.0° |
| C8 | C7 | H3 | 126.9° | 126.5° |
| C7 | C8 | H4 | 124.5° | 125.0° |
| O3 | C24 | N5 | 121.8° | 119.9° |
| C5 | C6 | C7 | 107.4° | 106.1° |
| C5 | C6 | C1 | 118.8° | 120.1° |
| C24 | N5 | C25 | 124.5° | 120.9° |
| C24 | N5 | C28 | 117.7° | 119.5° |
| C3 | C21 | C25 | 123.0° | 120.1° |
| C21 | C3 | C2 | 120.4° | 119.8° |
| C21 | C25 | N5 | 120.3° | 120.7° |
| C21 | C25 | H17 | 119.8° | 119.7° |
| C3 | C2 | C1 | 120.3° | 120.2° |
| C3 | C2 | H1 | 119.8° | 119.9° |
| C7 | C6 | C1 | 133.7° | 133.8° |
| C6 | C7 | H3 | 126.9° | 126.5° |
| C25 | N5 | C28 | 117.7° | 119.6° |
| N5 | C25 | H17 | 119.9° | 119.7° |
| N5 | C28 | H24 | 109.5° | 109.5° |
| N5 | C28 | H25 | 109.5° | 109.5° |
| N5 | C28 | H26 | 109.5° | 109.5° |
| C6 | C1 | C2 | 119.6° | 119.6° |
| C6 | C1 | N4 | 116.6° | 120.2° |
| C2 | C1 | N4 | 123.8° | 120.2° |
| C1 | C2 | H1 | 119.8° | 119.9° |
| C1 | N4 | S1 | 126.5° | 120.0° |
| C1 | N4 | H23 | 105.0° | 120.0° |
| N4 | S1 | O1 | 109.1° | 104.3° |
| N4 | S1 | C26 | 106.8° | 104.5° |
| N4 | S1 | O2 | 107.0° | 104.3° |
| S1 | N4 | H23 | 105.0° | 120.0° |
| O1 | S1 | C26 | 107.4° | 110.5° |
| O1 | S1 | O2 | 118.3° | 121.0° |
| C26 | S1 | O2 | 107.6° | 110.5° |
| S1 | C26 | C27 | 111.6° | 109.5° |
| S1 | C26 | H18 | 108.9° | 109.5° |
| S1 | C26 | H19 | 108.9° | 109.4° |
| C27 | C26 | H18 | 108.9° | 109.5° |
| C27 | C26 | H19 | 108.9° | 109.5° |
| C26 | C27 | H20 | 109.5° | 109.4° |
| C26 | C27 | H21 | 109.5° | 109.5° |
| C26 | C27 | H22 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.5° |
| H20 | C27 | H22 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.4° | 109.5° |
| H24 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.5° | 113.0° |
| H30 | C31 | H31 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N7 | C30 | H33 | 117.2° | 112.9° |
| N7 | C31 | C29 | H30 | 116.4° | 114.2° |
| N7 | C31 | C29 | H31 | 116.4° | 114.5° |
| C31 | N7 | C30 | C29 | 11.7° | 24.6° |
| N7 | C31 | C29 | N6 | 132.2° | 138.0° |
| N7 | C31 | C29 | H27 | 98.0° | 90.8° |
| C31 | N7 | C30 | H28 | 104.6° | 138.9° |
| C31 | N7 | C30 | H29 | 128.0° | 89.7° |
| N7 | C31 | H30 | H31 | 129.7° | 131.9° |
| N7 | C30 | C29 | H28 | 116.3° | 114.3° |
| N7 | C30 | C29 | H29 | 116.2° | 114.3° |
| N7 | C30 | C29 | N6 | 134.9° | 138.1° |
| N7 | C30 | C29 | H27 | 98.1° | 90.8° |
| N7 | C30 | H28 | H29 | 129.9° | 131.8° |
| C30 | N7 | C31 | H30 | 128.1° | 89.7° |
| C30 | N7 | C31 | H31 | 104.6° | 138.9° |
| N1 | C16 | C17 | H9 | 180.0° | 180.0° |
| N1 | C16 | C17 | C18 | 0.8° | 0.2° |
| C16 | N1 | C15 | C9 | 176.1° | 180.0° |
| C16 | N1 | C15 | C19 | 0.9° | 0.2° |
| N1 | C16 | C17 | H10 | 179.2° | 179.9° |
| C17 | C16 | N1 | C15 | 0.4° | 0.0° |
| C16 | C17 | C18 | H10 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 1.5° | 0.2° |
| C16 | C17 | C18 | H11 | 178.5° | 180.0° |
| C31 | C29 | C30 | N6 | 123.8° | 114.5° |
| C31 | C29 | C30 | H27 | 109.1° | 114.4° |
| C31 | C29 | N6 | H27 | 129.3° | 131.5° |
| C31 | C29 | N6 | C23 | 175.7° | 101.7° |
| C31 | C29 | C30 | H28 | 105.3° | 137.9° |
| C31 | C29 | C30 | H29 | 127.3° | 90.7° |
| C29 | C31 | H30 | H31 | 129.7° | 131.7° |
| C31 | C29 | N6 | H32 | 62.3° | 78.2° |
| C29 | C31 | N7 | H33 | 128.9° | 137.6° |
| N1 | C15 | C9 | C20 | 94.9° | 135.3° |
| N1 | C15 | C9 | C19 | 175.3° | 179.8° |
| N1 | C15 | C9 | C10 | 26.9° | 104.8° |
| N1 | C15 | C19 | C18 | 0.2° | 0.2° |
| N1 | C15 | C9 | N3 | 143.5° | 15.2° |
| C15 | N1 | C16 | H9 | 179.6° | 180.0° |
| N1 | C15 | C19 | H12 | 179.8° | 179.7° |
| C17 | C18 | C19 | C15 | 1.1° | 0.0° |
| C17 | C18 | C19 | H11 | 180.0° | 179.8° |
| C18 | C17 | C16 | H9 | 179.2° | 179.8° |
| C17 | C18 | C19 | H12 | 178.9° | 179.9° |
| C30 | C29 | N6 | H27 | 126.4° | 131.5° |
| C30 | C29 | N6 | C23 | 71.5° | 161.3° |
| C29 | C30 | H28 | H29 | 130.0° | 131.7° |
| C30 | C29 | C31 | H30 | 127.5° | 90.6° |
| C30 | C29 | C31 | H31 | 105.3° | 138.1° |
| C30 | C29 | N6 | H32 | 166.6° | 18.7° |
| C29 | C30 | N7 | H33 | 129.0° | 137.5° |
| C11 | C12 | C13 | H6 | 180.0° | 179.9° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 3.4° | 0.0° |
| C12 | C11 | C10 | N2 | 4.6° | 0.0° |
| C12 | C11 | C10 | C9 | 176.0° | 179.8° |
| C11 | C12 | C13 | H7 | 176.6° | 180.0° |
| C13 | C12 | C11 | C10 | 5.0° | 0.0° |
| C12 | C13 | C14 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | N2 | 1.3° | 0.0° |
| C13 | C12 | C11 | H5 | 175.0° | 179.9° |
| C12 | C13 | C14 | H8 | 178.7° | 180.0° |
| C11 | C10 | C9 | C20 | 22.5° | 73.8° |
| C11 | C10 | C9 | C15 | 142.1° | 46.2° |
| C11 | C10 | N2 | C9 | 172.0° | 179.8° |
| C11 | C10 | N2 | C14 | 2.5° | 0.0° |
| C11 | C10 | C9 | N3 | 96.1° | 166.2° |
| C10 | C11 | C12 | H6 | 175.0° | 180.0° |
| C13 | C14 | N2 | C10 | 0.9° | 0.0° |
| C13 | C14 | N2 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | H6 | 176.6° | 180.0° |
| C20 | C9 | C15 | C10 | 121.8° | 120.0° |
| C20 | C9 | C15 | N3 | 121.6° | 120.0° |
| C20 | C9 | C15 | C19 | 80.4° | 44.9° |
| C20 | C9 | C10 | N2 | 165.8° | 106.0° |
| C20 | C9 | C10 | N3 | 118.6° | 120.0° |
| C20 | C9 | N3 | C8 | 27.2° | 5.1° |
| C20 | C9 | N3 | C5 | 163.0° | 174.4° |
| C9 | C20 | H13 | H14 | 120.0° | 120.0° |
| C9 | C20 | H13 | H15 | 120.0° | 120.0° |
| C9 | C20 | H14 | H15 | 120.0° | 120.1° |
| C15 | C9 | C10 | N2 | 46.3° | 134.1° |
| C15 | C9 | C10 | N3 | 121.8° | 120.0° |
| C9 | C15 | C19 | C18 | 175.3° | 180.0° |
| C15 | C9 | N3 | C8 | 145.8° | 114.9° |
| C15 | C9 | N3 | C5 | 44.4° | 65.6° |
| C9 | C15 | C19 | H12 | 4.7° | 0.0° |
| C15 | C9 | C20 | H13 | 180.0° | 180.0° |
| C15 | C9 | C20 | H14 | 60.0° | 60.0° |
| C15 | C9 | C20 | H15 | 60.0° | 60.0° |
| C19 | C15 | C9 | C10 | 157.8° | 75.0° |
| C15 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C15 | C9 | N3 | 41.2° | 165.0° |
| C15 | C19 | C18 | H11 | 179.0° | 179.8° |
| N2 | C10 | C9 | N3 | 75.6° | 14.1° |
| N2 | C10 | C11 | H5 | 175.4° | 179.9° |
| C10 | N2 | C14 | H8 | 179.1° | 180.0° |
| C9 | C10 | N2 | C14 | 174.5° | 179.7° |
| C10 | C9 | N3 | C8 | 90.7° | 125.1° |
| C10 | C9 | N3 | C5 | 79.1° | 54.4° |
| C9 | C10 | C11 | H5 | 4.0° | 0.3° |
| C10 | C9 | C20 | H13 | 55.5° | 60.0° |
| C10 | C9 | C20 | H14 | 175.4° | 60.0° |
| C10 | C9 | C20 | H15 | 64.6° | 180.0° |
| C29 | N6 | C23 | H32 | 122.0° | 180.0° |
| C29 | N6 | C23 | C22 | 4.1° | 4.6° |
| C29 | N6 | C23 | C24 | 172.9° | 175.4° |
| N6 | C29 | C30 | H28 | 18.6° | 107.6° |
| N6 | C29 | C30 | H29 | 108.9° | 23.8° |
| N6 | C29 | C31 | H30 | 111.5° | 23.8° |
| N6 | C29 | C31 | H31 | 15.8° | 107.5° |
| N2 | C14 | C13 | H7 | 178.7° | 180.0° |
| C19 | C18 | C17 | H10 | 178.5° | 179.9° |
| C9 | N3 | C8 | C5 | 171.3° | 179.6° |
| C9 | N3 | C5 | C4 | 4.5° | 0.4° |
| C9 | N3 | C8 | C7 | 173.7° | 179.9° |
| C9 | N3 | C5 | C6 | 173.1° | 179.9° |
| C9 | N3 | C8 | H4 | 6.3° | 0.3° |
| N3 | C9 | C20 | H13 | 57.8° | 60.0° |
| N3 | C9 | C20 | H14 | 62.2° | 180.0° |
| N3 | C9 | C20 | H15 | 177.9° | 60.0° |
| N6 | C23 | C22 | C24 | 176.9° | 180.0° |
| N6 | C23 | C22 | C21 | 180.0° | 180.0° |
| N6 | C23 | C24 | O3 | 1.0° | 0.1° |
| N6 | C23 | C24 | N5 | 178.5° | 179.9° |
| N6 | C23 | C22 | H16 | 0.0° | 0.0° |
| C23 | N6 | C29 | H27 | 55.0° | 29.8° |
| C8 | N3 | C5 | C4 | 175.7° | 180.0° |
| N3 | C8 | C7 | H4 | 180.0° | 179.8° |
| C8 | N3 | C5 | C6 | 1.9° | 0.3° |
| N3 | C8 | C7 | C6 | 1.8° | 0.2° |
| N3 | C8 | C7 | H3 | 178.2° | 179.7° |
| N3 | C5 | C4 | C6 | 177.3° | 179.7° |
| N3 | C5 | C4 | C3 | 179.0° | 179.9° |
| C5 | N3 | C8 | C7 | 2.3° | 0.3° |
| N3 | C5 | C6 | C7 | 0.8° | 0.2° |
| N3 | C5 | C6 | C1 | 179.4° | 179.7° |
| N3 | C5 | C4 | H2 | 1.0° | 0.3° |
| C5 | N3 | C8 | H4 | 177.6° | 179.9° |
| C23 | C22 | C21 | H16 | 180.0° | 179.9° |
| C22 | C23 | C24 | O3 | 177.9° | 180.0° |
| C22 | C23 | C24 | N5 | 1.6° | 0.1° |
| C23 | C22 | C21 | C3 | 178.0° | 180.0° |
| C23 | C22 | C21 | C25 | 3.2° | 0.2° |
| C22 | C23 | N6 | H32 | 117.9° | 175.4° |
| C24 | C23 | C22 | C21 | 3.1° | 0.0° |
| C23 | C24 | O3 | N5 | 179.5° | 179.9° |
| C23 | C24 | N5 | C25 | 0.4° | 0.4° |
| C23 | C24 | N5 | C28 | 179.9° | 179.9° |
| C24 | C23 | C22 | H16 | 176.9° | 179.9° |
| C24 | C23 | N6 | H32 | 65.2° | 4.6° |
| C22 | C21 | C3 | C4 | 39.4° | 115.2° |
| C22 | C21 | C3 | C25 | 178.7° | 179.8° |
| C22 | C21 | C3 | C2 | 136.6° | 64.8° |
| C22 | C21 | C25 | N5 | 1.9° | 0.5° |
| C22 | C21 | C25 | H17 | 178.1° | 179.8° |
| C5 | C4 | C3 | H2 | 180.0° | 179.7° |
| C5 | C4 | C3 | C21 | 174.7° | 180.0° |
| C5 | C4 | C3 | C2 | 1.3° | 0.0° |
| C4 | C5 | C6 | C7 | 177.1° | 180.0° |
| C4 | C5 | C6 | C1 | 2.7° | 0.6° |
| C3 | C4 | C5 | C6 | 1.7° | 0.3° |
| C4 | C3 | C21 | C2 | 176.0° | 180.0° |
| C4 | C3 | C21 | C25 | 139.3° | 65.0° |
| C4 | C3 | C2 | C1 | 3.2° | 0.0° |
| C4 | C3 | C2 | H1 | 176.8° | 180.0° |
| C8 | C7 | C6 | C5 | 0.6° | 0.0° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C1 | 179.2° | 179.4° |
| O3 | C24 | N5 | C25 | 179.2° | 179.7° |
| O3 | C24 | N5 | C28 | 0.4° | 0.1° |
| C5 | C6 | C7 | C1 | 179.7° | 179.4° |
| C5 | C6 | C1 | C2 | 0.7° | 0.5° |
| C5 | C6 | C1 | N4 | 179.1° | 179.7° |
| C6 | C5 | C4 | H2 | 178.3° | 180.0° |
| C5 | C6 | C7 | H3 | 179.4° | 179.9° |
| C24 | N5 | C25 | C21 | 0.6° | 0.6° |
| C24 | N5 | C25 | C28 | 179.6° | 179.7° |
| C24 | N5 | C25 | H17 | 179.4° | 179.7° |
| C24 | N5 | C28 | H24 | 180.0° | 0.1° |
| C24 | N5 | C28 | H25 | 60.0° | 119.9° |
| C24 | N5 | C28 | H26 | 60.0° | 120.0° |
| C3 | C21 | C25 | N5 | 179.4° | 179.7° |
| C21 | C3 | C2 | C1 | 172.7° | 180.0° |
| C21 | C3 | C2 | H1 | 7.4° | 0.1° |
| C21 | C3 | C4 | H2 | 5.3° | 0.3° |
| C3 | C21 | C22 | H16 | 2.0° | 0.1° |
| C3 | C21 | C25 | H17 | 0.6° | 0.0° |
| C25 | C21 | C3 | C2 | 44.7° | 115.0° |
| C21 | C25 | N5 | H17 | 180.0° | 179.7° |
| C21 | C25 | N5 | C28 | 179.8° | 179.7° |
| C25 | C21 | C22 | H16 | 176.8° | 179.7° |
| C3 | C2 | C1 | C6 | 2.2° | 0.3° |
| C3 | C2 | C1 | H1 | 180.0° | 179.9° |
| C3 | C2 | C1 | N4 | 176.1° | 180.0° |
| C2 | C3 | C4 | H2 | 178.7° | 179.7° |
| C7 | C6 | C1 | C2 | 179.0° | 179.8° |
| C7 | C6 | C1 | N4 | 0.6° | 0.4° |
| C6 | C7 | C8 | H4 | 178.2° | 180.0° |
| C25 | N5 | C28 | H24 | 0.4° | 179.8° |
| C25 | N5 | C28 | H25 | 120.4° | 59.7° |
| C25 | N5 | C28 | H26 | 119.6° | 60.3° |
| C28 | N5 | C25 | H17 | 0.2° | 0.0° |
| N5 | C28 | H24 | H25 | 120.0° | 120.0° |
| N5 | C28 | H24 | H26 | 120.0° | 120.0° |
| N5 | C28 | H25 | H26 | 120.0° | 120.0° |
| C6 | C1 | C2 | N4 | 178.3° | 179.7° |
| C6 | C1 | N4 | S1 | 159.3° | 144.8° |
| C6 | C1 | C2 | H1 | 177.8° | 179.7° |
| C1 | C6 | C7 | H3 | 0.8° | 0.7° |
| C6 | C1 | N4 | H23 | 78.4° | 35.0° |
| C2 | C1 | N4 | S1 | 19.0° | 35.4° |
| C2 | C1 | N4 | H23 | 103.2° | 144.7° |
| C1 | N4 | S1 | H23 | 122.2° | 179.9° |
| C1 | N4 | S1 | O1 | 35.8° | 56.2° |
| C1 | N4 | S1 | C26 | 80.1° | 59.9° |
| C1 | N4 | S1 | O2 | 164.9° | 176.0° |
| N4 | C1 | C2 | H1 | 3.9° | 0.1° |
| N4 | S1 | O1 | C26 | 115.4° | 111.8° |
| N4 | S1 | O1 | O2 | 122.7° | 116.8° |
| N4 | S1 | C26 | O2 | 114.6° | 111.7° |
| N4 | S1 | C26 | C27 | 59.3° | 180.0° |
| N4 | S1 | C26 | H18 | 179.6° | 60.0° |
| N4 | S1 | C26 | H19 | 61.0° | 60.0° |
| O1 | S1 | C26 | O2 | 128.4° | 136.7° |
| O1 | S1 | C26 | C27 | 176.3° | 68.4° |
| O1 | S1 | C26 | H18 | 63.4° | 171.6° |
| O1 | S1 | C26 | H19 | 55.9° | 51.7° |
| O1 | S1 | N4 | H23 | 158.0° | 123.9° |
| S1 | C26 | C27 | H18 | 120.3° | 120.0° |
| S1 | C26 | C27 | H19 | 120.3° | 120.0° |
| S1 | C26 | H18 | H19 | 119.0° | 119.9° |
| S1 | C26 | C27 | H20 | 180.0° | 180.0° |
| S1 | C26 | C27 | H21 | 60.0° | 60.0° |
| S1 | C26 | C27 | H22 | 60.0° | 60.0° |
| C26 | S1 | N4 | H23 | 42.2° | 120.0° |
| O2 | S1 | C26 | C27 | 55.3° | 68.3° |
| O2 | S1 | C26 | H18 | 65.0° | 51.7° |
| O2 | S1 | C26 | H19 | 175.7° | 171.6° |
| O2 | S1 | N4 | H23 | 72.8° | 3.9° |
| C27 | C26 | H18 | H19 | 119.0° | 120.0° |
| C26 | C27 | H20 | H21 | 120.0° | 120.0° |
| C26 | C27 | H20 | H22 | 120.0° | 120.0° |
| C26 | C27 | H21 | H22 | 120.0° | 120.0° |
| H3 | C7 | C8 | H4 | 1.8° | 0.1° |
| H5 | C11 | C12 | H6 | 5.0° | 0.0° |
| H6 | C12 | C13 | H7 | 3.4° | 0.1° |
| H7 | C13 | C14 | H8 | 1.3° | 0.0° |
| H9 | C16 | C17 | H10 | 0.8° | 0.1° |
| H10 | C17 | C18 | H11 | 1.5° | 0.1° |
| H11 | C18 | C19 | H12 | 1.0° | 0.2° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
| H18 | C26 | C27 | H20 | 59.7° | 60.0° |
| H18 | C26 | C27 | H21 | 179.6° | 60.0° |
| H18 | C26 | C27 | H22 | 60.4° | 180.0° |
| H19 | C26 | C27 | H20 | 59.7° | 60.0° |
| H19 | C26 | C27 | H21 | 60.3° | 179.9° |
| H19 | C26 | C27 | H22 | 179.7° | 59.9° |
| H20 | C27 | H21 | H22 | 120.0° | 120.0° |
| H24 | C28 | H25 | H26 | 120.0° | 120.0° |
| H27 | C29 | C30 | H28 | 145.6° | 23.5° |
| H27 | C29 | C30 | H29 | 18.2° | 154.9° |
| H27 | C29 | C31 | H30 | 18.4° | 154.9° |
| H27 | C29 | C31 | H31 | 145.7° | 23.7° |
| H27 | C29 | N6 | H32 | 67.0° | 150.2° |
| H28 | C30 | N7 | H33 | 12.7° | 108.2° |
| H29 | C30 | N7 | H33 | 114.8° | 23.2° |
| H30 | C31 | N7 | H33 | 114.7° | 23.3° |
| H31 | C31 | N7 | H33 | 12.6° | 108.1° |
