V0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | O | sing | 1.44Å | 1.44Å | |
| O | C3 | sing | 1.44Å | 1.42Å | |
| C3 | C4 | sing | 1.55Å | 1.53Å | |
| C4 | C5 | sing | 1.55Å | 1.54Å | |
| C5 | C2 | sing | 1.54Å | 1.53Å | |
| O1 | C5 | sing | 1.43Å | 1.42Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| N1 | C3 | sing | 1.47Å | 1.45Å | |
| N1 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C6 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| N2 | C7 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C9 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| N5 | C10 | sing | 1.38Å | 1.34Å | |
| N | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | trip | 1.17Å | 1.20Å | |
| C13 | C14 | sing | 1.43Å | 1.41Å | |
| C14 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
| N6 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.38Å | Aromatic |
| C16 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | N7 | sing | 1.37Å | 1.39Å | Aromatic |
| N7 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | O3 | sing | 1.44Å | 1.41Å | |
| O3 | C18 | sing | 1.44Å | 1.43Å | |
| C19 | C18 | sing | 1.55Å | 1.53Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C17 | C20 | sing | 1.54Å | 1.52Å | |
| O4 | C20 | sing | 1.43Å | 1.43Å | |
| O5 | C19 | sing | 1.43Å | 1.42Å | |
| C18 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | N8 | sing | 1.46Å | 1.46Å | |
| N8 | S | sing | 1.66Å | 1.61Å | |
| O6 | S | doub | 1.42Å | 1.43Å | |
| S | O7 | doub | 1.42Å | 1.43Å | |
| N9 | S | sing | 1.66Å | 1.62Å | |
| C22 | N9 | sing | 1.46Å | 1.47Å | |
| C23 | N9 | sing | 1.47Å | 1.47Å | |
| N10 | C16 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | N10 | doub | 1.32Å | 1.34Å | Aromatic |
| N11 | C24 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C15 | C25 | sing | 1.41Å | 1.40Å | Aromatic |
| N12 | C25 | sing | 1.38Å | 1.33Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N12 | H34 | sing | 0.97Å | 1.00Å | |
| N12 | H33 | sing | 0.97Å | 1.00Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| N8 | H25 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| O4 | H21 | sing | 0.97Å | 0.95Å | |
| O5 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C1 | 113.1° | 111.0° |
| C | N | C11 | 110.1° | 111.0° |
| N | C | H9 | 109.5° | 109.5° |
| N | C | H10 | 109.5° | 109.4° |
| N | C | H8 | 109.5° | 109.5° |
| N | C1 | C2 | 113.9° | 109.5° |
| C1 | N | C11 | 113.5° | 111.0° |
| N | C1 | H12 | 108.3° | 109.4° |
| N | C1 | H11 | 108.3° | 109.5° |
| C1 | C2 | O | 109.5° | 109.9° |
| C1 | C2 | C5 | 113.9° | 109.9° |
| C2 | C1 | H12 | 108.4° | 109.5° |
| C2 | C1 | H11 | 108.4° | 109.5° |
| C1 | C2 | H | 109.8° | 109.9° |
| C2 | O | C3 | 106.0° | 107.0° |
| O | C2 | C5 | 103.0° | 107.3° |
| O | C2 | H | 110.9° | 109.9° |
| O | C3 | C4 | 108.0° | 103.5° |
| O | C3 | N1 | 109.7° | 110.6° |
| O | C3 | H1 | 108.9° | 110.6° |
| C3 | C4 | C5 | 103.0° | 102.1° |
| C3 | C4 | O2 | 107.4° | 110.9° |
| C4 | C3 | N1 | 114.2° | 110.6° |
| C4 | C3 | H1 | 107.5° | 110.6° |
| C3 | C4 | H2 | 110.2° | 110.9° |
| C4 | C5 | C2 | 102.6° | 104.2° |
| C4 | C5 | O1 | 110.4° | 110.5° |
| C5 | C4 | O2 | 113.7° | 110.9° |
| C5 | C4 | H2 | 110.2° | 110.9° |
| C4 | C5 | H3 | 109.9° | 110.5° |
| C2 | C5 | O1 | 112.0° | 110.5° |
| C5 | C2 | H | 109.6° | 110.0° |
| C2 | C5 | H3 | 109.9° | 110.5° |
| O1 | C5 | H3 | 111.6° | 110.5° |
| C5 | O1 | H13 | 109.5° | 114.0° |
| O2 | C4 | H2 | 111.8° | 110.8° |
| C4 | O2 | H14 | 109.5° | 114.0° |
| C3 | N1 | C6 | 128.3° | 126.3° |
| C3 | N1 | C8 | 125.9° | 126.3° |
| N1 | C3 | H1 | 108.5° | 110.6° |
| N1 | C6 | N2 | 114.1° | 110.0° |
| C6 | N1 | C8 | 105.7° | 107.4° |
| N1 | C6 | H15 | 123.0° | 125.0° |
| C6 | N2 | C7 | 103.6° | 109.5° |
| N2 | C6 | H15 | 123.0° | 125.1° |
| N2 | C7 | C8 | 110.7° | 107.1° |
| N2 | C7 | C10 | 132.5° | 134.7° |
| C7 | C8 | N1 | 105.9° | 106.0° |
| C7 | C8 | N3 | 126.9° | 119.1° |
| C8 | C7 | C10 | 116.7° | 118.2° |
| N1 | C8 | N3 | 127.2° | 134.9° |
| C8 | N3 | C9 | 110.8° | 120.7° |
| N3 | C9 | N4 | 128.9° | 122.4° |
| N3 | C9 | H16 | 115.6° | 118.8° |
| C9 | N4 | C10 | 119.1° | 121.2° |
| N4 | C9 | H16 | 115.6° | 118.8° |
| N4 | C10 | C7 | 117.6° | 118.4° |
| N4 | C10 | N5 | 118.3° | 120.8° |
| C7 | C10 | N5 | 124.1° | 120.8° |
| C10 | N5 | H18 | 109.5° | 120.0° |
| C10 | N5 | H17 | 109.5° | 119.9° |
| N | C11 | C12 | 115.7° | 109.5° |
| N | C11 | H20 | 107.9° | 109.5° |
| N | C11 | H19 | 107.9° | 109.5° |
| C11 | C12 | C13 | 174.0° | 180.0° |
| C12 | C11 | H20 | 107.9° | 109.5° |
| C12 | C11 | H19 | 107.9° | 109.5° |
| C12 | C13 | C14 | 171.8° | 179.9° |
| C13 | C14 | N6 | 123.4° | 125.2° |
| C13 | C14 | N7 | 123.7° | 125.2° |
| C14 | N6 | C15 | 104.2° | 109.4° |
| N6 | C14 | N7 | 112.9° | 109.6° |
| N6 | C15 | C16 | 111.1° | 107.5° |
| N6 | C15 | C25 | 131.8° | 134.5° |
| C15 | C16 | N7 | 105.5° | 106.2° |
| C15 | C16 | N10 | 126.9° | 119.1° |
| C16 | C15 | C25 | 117.0° | 118.1° |
| C16 | N7 | C14 | 106.1° | 107.3° |
| C16 | N7 | C17 | 123.4° | 126.3° |
| N7 | C16 | N10 | 127.6° | 134.7° |
| C14 | N7 | C17 | 130.4° | 126.3° |
| N7 | C17 | O3 | 109.0° | 110.4° |
| N7 | C17 | C20 | 117.0° | 110.4° |
| N7 | C17 | H4 | 108.2° | 110.4° |
| C17 | O3 | C18 | 108.4° | 105.3° |
| O3 | C17 | C20 | 106.4° | 104.8° |
| O3 | C17 | H4 | 108.7° | 110.3° |
| O3 | C18 | C19 | 106.2° | 104.8° |
| O3 | C18 | C21 | 100.1° | 110.4° |
| O3 | C18 | H5 | 112.2° | 110.5° |
| C18 | C19 | C20 | 102.4° | 104.0° |
| C18 | C19 | O5 | 110.2° | 110.5° |
| C19 | C18 | C21 | 116.0° | 110.4° |
| C19 | C18 | H5 | 110.8° | 110.3° |
| C18 | C19 | H6 | 111.3° | 110.5° |
| C19 | C20 | C17 | 99.0° | 104.1° |
| C19 | C20 | O4 | 111.5° | 110.5° |
| C20 | C19 | O5 | 107.6° | 110.6° |
| C20 | C19 | H6 | 111.5° | 110.5° |
| C19 | C20 | H7 | 110.9° | 110.5° |
| C17 | C20 | O4 | 111.4° | 110.5° |
| C20 | C17 | H4 | 107.3° | 110.4° |
| C17 | C20 | H7 | 111.0° | 110.5° |
| O4 | C20 | H7 | 112.3° | 110.6° |
| C20 | O4 | H21 | 109.5° | 114.0° |
| O5 | C19 | H6 | 113.1° | 110.5° |
| C19 | O5 | H22 | 109.5° | 114.1° |
| C18 | C21 | N8 | 108.9° | 109.5° |
| C21 | C18 | H5 | 111.0° | 110.4° |
| C18 | C21 | H23 | 109.6° | 109.5° |
| C18 | C21 | H24 | 109.6° | 109.4° |
| C21 | N8 | S | 120.6° | 120.0° |
| N8 | C21 | H23 | 109.6° | 109.5° |
| N8 | C21 | H24 | 109.6° | 109.5° |
| C21 | N8 | H25 | 106.6° | 120.0° |
| N8 | S | O6 | 103.0° | 106.4° |
| N8 | S | O7 | 114.2° | 106.4° |
| N8 | S | N9 | 96.4° | 107.3° |
| S | N8 | H25 | 106.6° | 120.0° |
| O6 | S | O7 | 120.2° | 123.1° |
| O6 | S | N9 | 113.1° | 106.4° |
| O7 | S | N9 | 107.6° | 106.4° |
| S | N9 | C22 | 121.1° | 120.0° |
| S | N9 | C23 | 123.8° | 120.0° |
| C22 | N9 | C23 | 115.1° | 120.1° |
| N9 | C22 | H28 | 109.5° | 109.4° |
| N9 | C22 | H26 | 109.5° | 109.5° |
| N9 | C22 | H27 | 109.5° | 109.5° |
| N9 | C23 | H31 | 109.5° | 109.4° |
| N9 | C23 | H30 | 109.5° | 109.5° |
| N9 | C23 | H29 | 109.5° | 109.4° |
| C16 | N10 | C24 | 110.8° | 120.7° |
| N10 | C24 | N11 | 128.6° | 122.5° |
| N10 | C24 | H32 | 115.7° | 118.8° |
| C24 | N11 | C25 | 119.1° | 121.2° |
| N11 | C24 | H32 | 115.7° | 118.8° |
| N11 | C25 | C15 | 117.6° | 118.4° |
| N11 | C25 | N12 | 119.1° | 120.8° |
| C15 | C25 | N12 | 123.3° | 120.7° |
| C25 | N12 | H34 | 109.5° | 120.0° |
| C25 | N12 | H33 | 109.5° | 120.0° |
| H9 | C | H10 | 109.5° | 109.4° |
| H9 | C | H8 | 109.5° | 109.5° |
| H10 | C | H8 | 109.4° | 109.5° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H20 | C11 | H19 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H28 | C22 | H26 | 109.5° | 109.4° |
| H28 | C22 | H27 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H31 | C23 | H30 | 109.5° | 109.5° |
| H31 | C23 | H29 | 109.5° | 109.5° |
| H30 | C23 | H29 | 109.5° | 109.5° |
| H34 | N12 | H33 | 109.5° | 120.0° |
| H18 | N5 | H17 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C1 | C11 | 126.4° | 124.0° |
| C | N | C1 | C2 | 154.0° | 160.8° |
| C | N | C11 | C12 | 158.6° | 68.9° |
| N | C | H9 | H10 | 120.0° | 119.9° |
| N | C | H9 | H8 | 120.0° | 120.1° |
| N | C | H10 | H8 | 120.0° | 120.0° |
| C | N | C1 | H12 | 33.3° | 40.8° |
| C | N | C1 | H11 | 85.3° | 79.2° |
| C | N | C11 | H20 | 80.5° | 171.1° |
| C | N | C11 | H19 | 37.7° | 51.1° |
| N | C1 | C2 | H12 | 120.6° | 120.0° |
| N | C1 | C2 | H11 | 120.7° | 120.0° |
| N | C1 | C2 | O | 66.8° | 61.8° |
| N | C1 | C2 | C5 | 178.5° | 179.6° |
| C1 | N | C11 | C12 | 73.4° | 167.1° |
| C1 | N | C | H9 | 180.0° | 59.4° |
| C1 | N | C | H10 | 60.0° | 60.6° |
| C1 | N | C | H8 | 60.0° | 179.4° |
| N | C1 | H12 | H11 | 117.9° | 120.0° |
| C1 | N | C11 | H20 | 47.5° | 47.1° |
| C1 | N | C11 | H19 | 165.7° | 72.9° |
| N | C1 | C2 | H | 55.1° | 59.2° |
| C1 | C2 | O | C5 | 121.5° | 119.4° |
| C1 | C2 | O | H | 121.3° | 121.0° |
| C1 | C2 | O | C3 | 163.0° | 145.9° |
| C1 | C2 | C5 | C4 | 157.3° | 121.4° |
| C1 | C2 | C5 | H | 123.5° | 121.1° |
| C1 | C2 | C5 | O1 | 84.2° | 119.9° |
| C2 | C1 | N | C11 | 79.6° | 75.3° |
| C2 | C1 | H12 | H11 | 118.0° | 120.0° |
| C1 | C2 | C5 | H3 | 40.5° | 2.7° |
| C2 | O | C3 | C4 | 27.4° | 40.0° |
| O | C2 | C5 | C4 | 38.9° | 2.0° |
| O | C2 | C5 | H | 118.1° | 119.5° |
| O | C2 | C5 | O1 | 157.3° | 120.7° |
| C2 | O | C3 | N1 | 152.5° | 158.5° |
| O | C2 | C1 | H12 | 53.8° | 58.2° |
| O | C2 | C1 | H11 | 172.5° | 178.2° |
| C2 | O | C3 | H1 | 89.0° | 78.5° |
| O | C2 | C5 | H3 | 78.0° | 116.7° |
| O | C3 | C4 | N1 | 122.3° | 118.5° |
| O | C3 | C4 | H1 | 117.3° | 118.5° |
| O | C3 | C4 | C5 | 2.1° | 37.0° |
| C3 | O | C2 | C5 | 41.5° | 26.5° |
| O | C3 | C4 | O2 | 122.5° | 155.2° |
| O | C3 | N1 | H1 | 118.8° | 122.9° |
| O | C3 | N1 | C6 | 60.0° | 23.6° |
| O | C3 | N1 | C8 | 124.5° | 156.4° |
| C3 | O | C2 | H | 75.7° | 93.1° |
| O | C3 | C4 | H2 | 115.5° | 81.2° |
| C3 | C4 | C5 | O2 | 115.9° | 118.2° |
| C3 | C4 | C5 | H2 | 117.6° | 118.2° |
| C3 | C4 | C5 | C2 | 22.0° | 20.9° |
| C3 | C4 | C5 | O1 | 141.5° | 97.8° |
| C3 | C4 | O2 | H2 | 121.1° | 123.7° |
| C4 | C3 | N1 | H1 | 119.8° | 122.9° |
| C4 | C3 | N1 | C6 | 61.4° | 90.5° |
| C4 | C3 | N1 | C8 | 114.2° | 89.5° |
| C3 | C4 | C5 | H3 | 95.0° | 139.6° |
| C3 | C4 | O2 | H14 | 180.0° | 180.0° |
| C4 | C5 | C2 | O1 | 118.5° | 118.7° |
| C4 | C5 | C2 | H3 | 116.9° | 118.7° |
| C4 | C5 | O1 | H3 | 122.5° | 122.6° |
| C5 | C4 | O2 | H2 | 125.6° | 123.6° |
| C5 | C4 | C3 | N1 | 124.4° | 155.5° |
| C4 | C5 | C2 | H | 79.2° | 117.4° |
| C5 | C4 | C3 | H1 | 115.2° | 81.5° |
| C4 | C5 | O1 | H13 | 180.0° | 61.4° |
| C5 | C4 | O2 | H14 | 66.7° | 67.3° |
| C2 | C5 | O1 | H3 | 123.8° | 122.5° |
| C2 | C5 | C4 | O2 | 94.0° | 139.1° |
| C5 | C2 | C1 | H12 | 60.9° | 59.6° |
| C5 | C2 | C1 | H11 | 57.8° | 60.4° |
| C2 | C5 | C4 | H2 | 139.6° | 97.3° |
| C2 | C5 | O1 | H13 | 66.3° | 176.3° |
| O1 | C5 | C4 | O2 | 25.6° | 20.4° |
| O1 | C5 | C2 | H | 39.2° | 1.3° |
| O1 | C5 | C4 | H2 | 100.9° | 144.0° |
| O2 | C4 | C3 | N1 | 115.2° | 86.3° |
| O2 | C4 | C3 | H1 | 5.2° | 36.7° |
| O2 | C4 | C5 | H3 | 149.1° | 102.3° |
| C3 | N1 | C6 | C8 | 176.3° | 180.0° |
| C3 | N1 | C6 | N2 | 175.5° | 180.0° |
| C3 | N1 | C8 | C7 | 175.8° | 180.0° |
| C3 | N1 | C8 | N3 | 3.0° | 0.0° |
| N1 | C3 | C4 | H2 | 6.8° | 37.4° |
| C3 | N1 | C6 | H15 | 4.5° | 0.0° |
| N1 | C6 | N2 | H15 | 180.0° | 180.0° |
| N1 | C6 | N2 | C7 | 0.6° | 0.1° |
| C6 | N1 | C8 | C7 | 0.6° | 0.0° |
| C6 | N1 | C8 | N3 | 179.4° | 180.0° |
| C6 | N1 | C3 | H1 | 178.8° | 146.5° |
| C6 | N2 | C7 | C8 | 0.2° | 0.0° |
| N2 | C6 | N1 | C8 | 0.8° | 0.1° |
| C6 | N2 | C7 | C10 | 179.4° | 180.0° |
| N2 | C7 | C8 | C10 | 179.3° | 180.0° |
| N2 | C7 | C8 | N1 | 0.3° | 0.0° |
| N2 | C7 | C8 | N3 | 179.1° | 180.0° |
| N2 | C7 | C10 | N4 | 179.4° | 180.0° |
| N2 | C7 | C10 | N5 | 2.8° | 0.3° |
| C7 | N2 | C6 | H15 | 179.4° | 180.0° |
| C7 | C8 | N1 | N3 | 178.8° | 179.9° |
| C7 | C8 | N3 | C9 | 0.9° | 0.1° |
| C8 | C7 | C10 | N4 | 0.2° | 0.0° |
| C8 | C7 | C10 | N5 | 178.1° | 179.7° |
| N1 | C8 | N3 | C9 | 179.5° | 180.0° |
| N1 | C8 | C7 | C10 | 179.1° | 180.0° |
| C8 | N1 | C3 | H1 | 5.7° | 33.5° |
| C8 | N1 | C6 | H15 | 179.3° | 180.0° |
| C8 | N3 | C9 | N4 | 1.3° | 0.1° |
| N3 | C8 | C7 | C10 | 0.2° | 0.0° |
| C8 | N3 | C9 | H16 | 178.8° | 180.0° |
| N3 | C9 | N4 | H16 | 180.0° | 179.9° |
| N3 | C9 | N4 | C10 | 0.9° | 0.0° |
| C9 | N4 | C10 | C7 | 0.1° | 0.0° |
| C9 | N4 | C10 | N5 | 177.9° | 179.7° |
| N4 | C10 | C7 | N5 | 177.9° | 179.7° |
| C10 | N4 | C9 | H16 | 179.1° | 180.0° |
| N4 | C10 | N5 | H18 | 0.0° | 0.0° |
| N4 | C10 | N5 | H17 | 120.0° | 180.0° |
| C7 | C10 | N5 | H18 | 177.8° | 179.7° |
| C7 | C10 | N5 | H17 | 57.8° | 0.3° |
| C10 | N5 | H18 | H17 | 120.0° | 180.0° |
| N | C11 | C12 | H20 | 120.9° | 120.0° |
| N | C11 | C12 | H19 | 120.9° | 120.0° |
| N | C11 | C12 | C13 | 84.2° | 106.5° |
| C11 | N | C | H9 | 51.8° | 64.6° |
| C11 | N | C | H10 | 68.2° | 175.5° |
| C11 | N | C | H8 | 171.8° | 55.4° |
| C11 | N | C1 | H12 | 159.8° | 164.7° |
| C11 | N | C1 | H11 | 41.1° | 44.7° |
| N | C11 | H20 | H19 | 117.2° | 120.0° |
| C11 | C12 | C13 | C14 | 172.9° | 139.0° |
| C12 | C11 | H20 | H19 | 117.2° | 120.0° |
| C12 | C13 | C14 | N6 | 3.5° | 147.5° |
| C12 | C13 | C14 | N7 | 173.8° | 32.2° |
| C13 | C12 | C11 | H20 | 154.9° | 13.5° |
| C13 | C12 | C11 | H19 | 36.7° | 133.5° |
| C13 | C14 | N6 | N7 | 177.6° | 179.7° |
| C13 | C14 | N6 | C15 | 176.5° | 180.0° |
| C13 | C14 | N7 | C16 | 177.0° | 180.0° |
| C13 | C14 | N7 | C17 | 1.1° | 0.0° |
| C14 | N6 | C15 | C16 | 1.3° | 0.2° |
| N6 | C14 | N7 | C16 | 0.6° | 0.3° |
| N6 | C14 | N7 | C17 | 178.7° | 179.8° |
| C14 | N6 | C15 | C25 | 177.3° | 179.8° |
| N6 | C15 | C16 | C25 | 178.9° | 180.0° |
| N6 | C15 | C16 | N7 | 1.0° | 0.0° |
| C15 | N6 | C14 | N7 | 1.1° | 0.3° |
| N6 | C15 | C16 | N10 | 180.0° | 180.0° |
| N6 | C15 | C25 | N11 | 179.8° | 180.0° |
| N6 | C15 | C25 | N12 | 1.5° | 0.0° |
| C15 | C16 | N7 | N10 | 179.1° | 180.0° |
| C15 | C16 | N7 | C14 | 0.2° | 0.1° |
| C15 | C16 | N7 | C17 | 178.1° | 179.9° |
| C15 | C16 | N10 | C24 | 0.6° | 0.0° |
| C16 | C15 | C25 | N11 | 1.2° | 0.0° |
| C16 | C15 | C25 | N12 | 177.0° | 180.0° |
| C16 | N7 | C14 | C17 | 178.1° | 180.0° |
| C16 | N7 | C17 | O3 | 109.2° | 44.7° |
| C16 | N7 | C17 | C20 | 130.1° | 70.7° |
| N7 | C16 | N10 | C24 | 178.3° | 180.0° |
| N7 | C16 | C15 | C25 | 177.9° | 180.0° |
| C16 | N7 | C17 | H4 | 8.8° | 167.0° |
| C14 | N7 | C17 | O3 | 68.6° | 135.3° |
| C14 | N7 | C17 | C20 | 52.1° | 109.3° |
| C14 | N7 | C16 | N10 | 179.3° | 179.8° |
| C14 | N7 | C17 | H4 | 173.3° | 13.0° |
| N7 | C17 | O3 | C20 | 127.0° | 118.9° |
| N7 | C17 | O3 | H4 | 117.7° | 122.3° |
| N7 | C17 | O3 | C18 | 153.1° | 159.4° |
| N7 | C17 | C20 | C19 | 162.4° | 142.8° |
| N7 | C17 | C20 | H4 | 121.7° | 122.3° |
| N7 | C17 | C20 | O4 | 80.2° | 98.5° |
| C17 | N7 | C16 | N10 | 1.0° | 0.1° |
| N7 | C17 | C20 | H7 | 45.8° | 24.2° |
| C17 | O3 | C18 | C19 | 0.4° | 40.5° |
| O3 | C17 | C20 | C19 | 40.3° | 24.0° |
| O3 | C17 | C20 | H4 | 116.2° | 118.8° |
| O3 | C17 | C20 | O4 | 157.8° | 142.6° |
| C17 | O3 | C18 | C21 | 121.5° | 159.3° |
| C17 | O3 | C18 | H5 | 120.8° | 78.3° |
| O3 | C17 | C20 | H7 | 76.3° | 94.7° |
| O3 | C18 | C19 | C21 | 110.2° | 118.8° |
| O3 | C18 | C19 | H5 | 122.1° | 118.9° |
| O3 | C18 | C19 | C20 | 24.9° | 24.0° |
| C18 | O3 | C17 | C20 | 26.1° | 40.5° |
| O3 | C18 | C19 | O5 | 89.5° | 142.8° |
| O3 | C18 | C21 | H5 | 118.7° | 122.4° |
| O3 | C18 | C21 | N8 | 159.0° | 69.0° |
| C18 | O3 | C17 | H4 | 89.2° | 78.3° |
| O3 | C18 | C19 | H6 | 144.2° | 94.6° |
| O3 | C18 | C21 | H23 | 81.1° | 171.0° |
| O3 | C18 | C21 | H24 | 39.1° | 51.0° |
| C18 | C19 | C20 | O5 | 116.2° | 118.7° |
| C18 | C19 | C20 | H6 | 119.2° | 118.6° |
| C18 | C19 | C20 | C17 | 38.1° | 0.0° |
| C18 | C19 | C20 | O4 | 155.5° | 118.7° |
| C18 | C19 | O5 | H6 | 125.4° | 122.6° |
| C19 | C18 | C21 | H5 | 127.6° | 122.2° |
| C19 | C18 | C21 | N8 | 87.3° | 175.6° |
| C18 | C19 | C20 | H7 | 78.6° | 118.6° |
| C19 | C18 | C21 | H23 | 32.6° | 55.6° |
| C19 | C18 | C21 | H24 | 152.9° | 64.3° |
| C18 | C19 | O5 | H22 | 180.0° | 180.0° |
| C19 | C20 | C17 | O4 | 117.4° | 118.6° |
| C19 | C20 | C17 | H7 | 116.6° | 118.7° |
| C19 | C20 | O4 | H7 | 125.2° | 122.7° |
| C20 | C19 | O5 | H6 | 123.6° | 122.7° |
| C20 | C19 | C18 | C21 | 85.3° | 142.8° |
| C19 | C20 | C17 | H4 | 75.9° | 94.8° |
| C20 | C19 | C18 | H5 | 147.0° | 94.9° |
| C19 | C20 | O4 | H21 | 180.0° | 65.4° |
| C20 | C19 | O5 | H22 | 69.0° | 65.3° |
| C17 | C20 | O4 | H7 | 125.2° | 122.6° |
| C17 | C20 | C19 | O5 | 78.1° | 118.7° |
| C17 | C20 | C19 | H6 | 157.3° | 118.6° |
| C17 | C20 | O4 | H21 | 70.4° | 179.9° |
| O4 | C20 | C19 | O5 | 39.3° | 0.0° |
| O4 | C20 | C17 | H4 | 41.6° | 23.8° |
| O4 | C20 | C19 | H6 | 85.3° | 122.7° |
| O5 | C19 | C18 | C21 | 160.4° | 98.4° |
| O5 | C19 | C18 | H5 | 32.7° | 23.8° |
| O5 | C19 | C20 | H7 | 165.2° | 122.7° |
| C18 | C21 | N8 | H23 | 119.9° | 120.0° |
| C18 | C21 | N8 | H24 | 119.9° | 120.0° |
| C18 | C21 | N8 | S | 103.7° | 164.4° |
| C21 | C18 | C19 | H6 | 34.0° | 24.2° |
| C18 | C21 | H23 | H24 | 120.3° | 120.0° |
| C18 | C21 | N8 | H25 | 17.8° | 15.7° |
| C21 | N8 | S | H25 | 121.5° | 180.0° |
| C21 | N8 | S | O6 | 135.5° | 176.2° |
| C21 | N8 | S | O7 | 3.6° | 50.9° |
| C21 | N8 | S | N9 | 109.0° | 62.7° |
| N8 | C21 | C18 | H5 | 40.3° | 53.4° |
| N8 | C21 | H23 | H24 | 120.2° | 120.0° |
| N8 | S | O6 | O7 | 128.3° | 122.9° |
| N8 | S | O6 | N9 | 102.9° | 114.1° |
| N8 | S | O7 | N9 | 105.7° | 114.1° |
| N8 | S | N9 | C22 | 49.7° | 94.2° |
| N8 | S | N9 | C23 | 128.4° | 85.8° |
| S | N8 | C21 | H23 | 136.3° | 44.4° |
| S | N8 | C21 | H24 | 16.2° | 75.6° |
| O6 | S | O7 | N9 | 131.3° | 122.9° |
| O6 | S | N9 | C22 | 57.4° | 19.4° |
| O6 | S | N9 | C23 | 124.5° | 160.7° |
| O6 | S | N8 | H25 | 14.0° | 3.7° |
| O7 | S | N9 | C22 | 167.5° | 152.3° |
| O7 | S | N9 | C23 | 10.5° | 27.8° |
| O7 | S | N8 | H25 | 118.0° | 129.2° |
| S | N9 | C22 | C23 | 178.2° | 180.0° |
| S | N9 | C22 | H28 | 180.0° | 180.0° |
| S | N9 | C22 | H26 | 60.0° | 60.0° |
| S | N9 | C22 | H27 | 60.0° | 60.0° |
| S | N9 | C23 | H31 | 180.0° | 85.1° |
| S | N9 | C23 | H30 | 60.0° | 34.9° |
| S | N9 | C23 | H29 | 60.0° | 154.9° |
| N9 | S | N8 | H25 | 129.5° | 117.3° |
| N9 | C22 | H28 | H26 | 120.0° | 120.0° |
| N9 | C22 | H28 | H27 | 120.0° | 120.0° |
| N9 | C22 | H26 | H27 | 120.0° | 120.1° |
| C22 | N9 | C23 | H31 | 1.8° | 94.9° |
| C22 | N9 | C23 | H30 | 118.2° | 145.1° |
| C22 | N9 | C23 | H29 | 121.9° | 25.0° |
| C23 | N9 | C22 | H28 | 1.8° | 0.0° |
| C23 | N9 | C22 | H26 | 121.8° | 120.0° |
| C23 | N9 | C22 | H27 | 118.2° | 120.0° |
| N9 | C23 | H31 | H30 | 120.0° | 120.0° |
| N9 | C23 | H31 | H29 | 120.0° | 119.9° |
| N9 | C23 | H30 | H29 | 120.0° | 120.0° |
| C16 | N10 | C24 | N11 | 0.0° | 0.1° |
| N10 | C16 | C15 | C25 | 1.2° | 0.0° |
| C16 | N10 | C24 | H32 | 180.0° | 180.0° |
| N10 | C24 | N11 | H32 | 180.0° | 180.0° |
| N10 | C24 | N11 | C25 | 0.1° | 0.1° |
| C24 | N11 | C25 | C15 | 0.7° | 0.0° |
| C24 | N11 | C25 | N12 | 177.6° | 179.9° |
| N11 | C25 | C15 | N12 | 178.2° | 180.0° |
| C25 | N11 | C24 | H32 | 179.9° | 180.0° |
| N11 | C25 | N12 | H34 | 0.0° | 180.0° |
| N11 | C25 | N12 | H33 | 120.0° | 0.0° |
| C15 | C25 | N12 | H34 | 178.2° | 0.1° |
| C15 | C25 | N12 | H33 | 58.2° | 180.0° |
| C25 | N12 | H34 | H33 | 120.0° | 179.9° |
| H9 | C | H10 | H8 | 120.0° | 120.0° |
| H12 | C1 | C2 | H | 175.8° | 179.2° |
| H11 | C1 | C2 | H | 65.5° | 60.8° |
| H4 | C17 | C20 | H7 | 167.5° | 146.5° |
| H5 | C18 | C19 | H6 | 93.7° | 146.5° |
| H5 | C18 | C21 | H23 | 160.2° | 66.6° |
| H5 | C18 | C21 | H24 | 79.6° | 173.4° |
| H6 | C19 | C20 | H7 | 40.6° | 0.0° |
| H6 | C19 | O5 | H22 | 54.7° | 57.4° |
| H | C2 | C5 | H3 | 163.9° | 123.8° |
| H7 | C20 | O4 | H21 | 54.8° | 57.3° |
| H23 | C21 | N8 | H25 | 102.1° | 135.7° |
| H24 | C21 | N8 | H25 | 137.7° | 104.3° |
| H28 | C22 | H26 | H27 | 120.0° | 119.9° |
| H31 | C23 | H30 | H29 | 120.0° | 120.1° |
| H1 | C3 | C4 | H2 | 127.2° | 160.3° |
| H2 | C4 | C5 | H3 | 22.7° | 21.4° |
| H2 | C4 | O2 | H14 | 58.9° | 56.3° |
| H3 | C5 | O1 | H13 | 57.5° | 61.2° |
