V9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C2 | sing | 1.37Å | 1.45Å | |
| N3 | C2 | sing | 1.36Å | 1.34Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| C2 | N1 | doub | 1.31Å | 1.33Å | |
| O10 | C4 | doub | 1.22Å | 1.40Å | |
| C4 | C8 | sing | 1.43Å | 1.41Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.45Å | 1.46Å | Aromatic |
| C9 | S5 | sing | 1.76Å | 1.71Å | Aromatic |
| C7 | C6 | doub | 1.32Å | 1.41Å | Aromatic |
| S5 | C6 | sing | 1.75Å | 1.69Å | Aromatic |
| C6 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | C16 | sing | 1.51Å | 1.52Å | |
| O28 | C26 | doub | 1.21Å | 1.40Å | |
| C16 | C15 | doub | 1.35Å | 1.40Å | Aromatic |
| C16 | O12 | sing | 1.34Å | 1.29Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| O12 | C13 | sing | 1.35Å | 1.29Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.40Å | Aromatic |
| C26 | O27 | sing | 1.34Å | 1.40Å | |
| C26 | C20 | sing | 1.51Å | 1.53Å | |
| C13 | C17 | sing | 1.47Å | 1.52Å | |
| N19 | C17 | sing | 1.35Å | 1.45Å | |
| N19 | C20 | sing | 1.47Å | 1.44Å | |
| C17 | O18 | doub | 1.22Å | 1.18Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| O24 | C23 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.26Å | |
| O25 | H1 | sing | 0.97Å | 0.95Å | |
| C30 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C31 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| N11 | H19 | sing | 0.97Å | 1.00Å | |
| N19 | H20 | sing | 0.97Å | 1.00Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| O27 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C2 | N3 | 118.5° | 119.2° |
| N11 | C2 | N1 | 118.6° | 119.2° |
| C2 | N11 | H18 | 120.0° | 120.0° |
| C2 | N11 | H19 | 120.0° | 120.0° |
| C2 | N3 | C4 | 120.2° | 120.3° |
| N3 | C2 | N1 | 122.9° | 121.6° |
| C2 | N3 | H21 | 119.9° | 119.9° |
| N3 | C4 | O10 | 120.8° | 120.6° |
| N3 | C4 | C8 | 119.3° | 118.9° |
| C4 | N3 | H21 | 119.9° | 119.8° |
| C2 | N1 | C9 | 119.6° | 121.6° |
| O10 | C4 | C8 | 119.9° | 120.5° |
| C4 | C8 | C9 | 117.9° | 118.0° |
| C4 | C8 | C7 | 128.5° | 129.9° |
| N1 | C9 | C8 | 120.0° | 119.6° |
| N1 | C9 | S5 | 132.9° | 130.8° |
| C9 | C8 | C7 | 113.5° | 112.1° |
| C8 | C9 | S5 | 107.1° | 109.6° |
| C8 | C7 | C6 | 113.4° | 114.8° |
| C8 | C7 | H17 | 123.3° | 122.6° |
| C9 | S5 | C6 | 98.5° | 92.2° |
| C7 | C6 | S5 | 107.4° | 111.3° |
| C7 | C6 | C30 | 126.4° | 124.3° |
| C6 | C7 | H17 | 123.3° | 122.6° |
| S5 | C6 | C30 | 126.2° | 124.4° |
| C6 | C30 | C31 | 110.7° | 109.5° |
| C6 | C30 | H2 | 109.1° | 109.5° |
| C6 | C30 | H3 | 109.1° | 109.5° |
| C30 | C31 | C32 | 109.2° | 109.5° |
| C31 | C30 | H2 | 109.2° | 109.4° |
| C31 | C30 | H3 | 109.2° | 109.4° |
| C30 | C31 | H6 | 109.5° | 109.5° |
| C30 | C31 | H7 | 109.6° | 109.4° |
| C31 | C32 | C33 | 109.0° | 109.5° |
| C31 | C32 | H4 | 109.6° | 109.5° |
| C31 | C32 | H5 | 109.6° | 109.5° |
| C32 | C31 | H6 | 109.6° | 109.5° |
| C32 | C31 | H7 | 109.5° | 109.5° |
| C32 | C33 | C16 | 111.9° | 109.5° |
| C33 | C32 | H4 | 109.6° | 109.4° |
| C33 | C32 | H5 | 109.6° | 109.5° |
| C32 | C33 | H8 | 108.9° | 109.4° |
| C32 | C33 | H9 | 108.8° | 109.5° |
| C33 | C16 | C15 | 128.1° | 125.6° |
| C33 | C16 | O12 | 122.0° | 125.6° |
| C16 | C33 | H8 | 108.8° | 109.5° |
| C16 | C33 | H9 | 108.9° | 109.5° |
| O28 | C26 | O27 | 118.0° | 120.0° |
| O28 | C26 | C20 | 119.5° | 120.0° |
| C15 | C16 | O12 | 109.8° | 108.8° |
| C16 | C15 | C14 | 104.2° | 107.1° |
| C16 | C15 | H16 | 127.9° | 126.5° |
| C16 | O12 | C13 | 111.7° | 109.4° |
| C15 | C14 | C13 | 104.6° | 106.7° |
| C15 | C14 | H15 | 127.7° | 126.6° |
| C14 | C15 | H16 | 127.9° | 126.4° |
| O12 | C13 | C14 | 109.6° | 108.0° |
| O12 | C13 | C17 | 121.1° | 126.0° |
| C14 | C13 | C17 | 129.4° | 126.0° |
| C13 | C14 | H15 | 127.7° | 126.7° |
| O27 | C26 | C20 | 118.4° | 120.0° |
| C26 | O27 | H22 | 109.5° | 117.0° |
| C26 | C20 | N19 | 108.8° | 109.4° |
| C26 | C20 | C21 | 108.8° | 109.5° |
| C26 | C20 | H10 | 110.0° | 109.5° |
| C13 | C17 | N19 | 115.9° | 120.0° |
| C13 | C17 | O18 | 121.9° | 120.0° |
| C17 | N19 | C20 | 123.1° | 120.0° |
| N19 | C17 | O18 | 122.2° | 120.0° |
| C17 | N19 | H20 | 118.4° | 120.0° |
| N19 | C20 | C21 | 108.2° | 109.5° |
| N19 | C20 | H10 | 111.1° | 109.5° |
| C20 | N19 | H20 | 118.5° | 120.0° |
| C20 | C21 | C22 | 112.6° | 109.5° |
| C21 | C20 | H10 | 109.9° | 109.5° |
| C20 | C21 | H13 | 108.7° | 109.4° |
| C20 | C21 | H14 | 108.7° | 109.4° |
| C21 | C22 | C23 | 112.0° | 109.4° |
| C21 | C22 | H11 | 108.8° | 109.5° |
| C21 | C22 | H12 | 108.8° | 109.4° |
| C22 | C21 | H13 | 108.7° | 109.5° |
| C22 | C21 | H14 | 108.7° | 109.5° |
| C22 | C23 | O24 | 119.8° | 120.1° |
| C22 | C23 | O25 | 120.1° | 120.0° |
| C23 | C22 | H11 | 108.8° | 109.5° |
| C23 | C22 | H12 | 108.9° | 109.5° |
| O24 | C23 | O25 | 120.2° | 120.0° |
| C23 | O25 | H1 | 109.5° | 117.0° |
| H2 | C30 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.4° |
| H6 | C31 | H7 | 109.5° | 109.4° |
| H8 | C33 | H9 | 109.5° | 109.4° |
| H11 | C22 | H12 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H18 | N11 | H19 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C2 | N3 | N1 | 179.7° | 179.5° |
| N11 | C2 | N3 | C4 | 180.0° | 179.7° |
| N11 | C2 | N1 | C9 | 179.9° | 180.0° |
| C2 | N11 | H18 | H19 | 180.0° | 180.0° |
| N11 | C2 | N3 | H21 | 0.0° | 0.5° |
| C2 | N3 | C4 | H21 | 180.0° | 179.2° |
| C2 | N3 | C4 | O10 | 179.2° | 179.5° |
| C2 | N3 | C4 | C8 | 0.3° | 0.5° |
| N3 | C2 | N1 | C9 | 0.2° | 0.5° |
| N3 | C2 | N11 | H18 | 179.7° | 179.5° |
| N3 | C2 | N11 | H19 | 0.3° | 0.4° |
| C4 | N3 | C2 | N1 | 0.3° | 0.8° |
| N3 | C4 | O10 | C8 | 179.5° | 180.0° |
| N3 | C4 | C8 | C9 | 0.3° | 0.0° |
| N3 | C4 | C8 | C7 | 180.0° | 179.7° |
| C2 | N1 | C9 | C8 | 0.2° | 0.0° |
| C2 | N1 | C9 | S5 | 179.8° | 180.0° |
| N1 | C2 | N11 | H18 | 0.0° | 0.0° |
| N1 | C2 | N11 | H19 | 180.0° | 180.0° |
| N1 | C2 | N3 | H21 | 179.7° | 180.0° |
| O10 | C4 | C8 | C9 | 179.2° | 180.0° |
| O10 | C4 | C8 | C7 | 0.6° | 0.3° |
| O10 | C4 | N3 | H21 | 0.8° | 0.3° |
| C4 | C8 | C9 | N1 | 0.2° | 0.2° |
| C4 | C8 | C9 | C7 | 179.8° | 179.8° |
| C4 | C8 | C9 | S5 | 179.8° | 179.8° |
| C4 | C8 | C7 | C6 | 179.9° | 179.8° |
| C4 | C8 | C7 | H17 | 0.1° | 0.3° |
| C8 | C4 | N3 | H21 | 179.7° | 179.7° |
| N1 | C9 | C8 | S5 | 180.0° | 180.0° |
| N1 | C9 | C8 | C7 | 180.0° | 180.0° |
| N1 | C9 | S5 | C6 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | S5 | C6 | 0.1° | 0.0° |
| C9 | C8 | C7 | H17 | 179.8° | 180.0° |
| C7 | C8 | C9 | S5 | 0.0° | 0.0° |
| C8 | C7 | C6 | H17 | 180.0° | 180.0° |
| C8 | C7 | C6 | S5 | 0.2° | 0.1° |
| C8 | C7 | C6 | C30 | 179.6° | 180.0° |
| C9 | S5 | C6 | C7 | 0.2° | 0.0° |
| C9 | S5 | C6 | C30 | 179.6° | 180.0° |
| C7 | C6 | S5 | C30 | 179.4° | 179.9° |
| C7 | C6 | C30 | C31 | 61.9° | 90.0° |
| C7 | C6 | C30 | H2 | 58.3° | 30.0° |
| C7 | C6 | C30 | H3 | 177.9° | 150.0° |
| S5 | C6 | C30 | C31 | 118.8° | 90.0° |
| S5 | C6 | C30 | H2 | 121.0° | 150.0° |
| S5 | C6 | C30 | H3 | 1.4° | 29.9° |
| S5 | C6 | C7 | H17 | 179.8° | 180.0° |
| C6 | C30 | C31 | H2 | 120.2° | 120.0° |
| C6 | C30 | C31 | H3 | 120.2° | 120.0° |
| C6 | C30 | C31 | C32 | 34.5° | 180.0° |
| C6 | C30 | H2 | H3 | 119.4° | 120.1° |
| C6 | C30 | C31 | H6 | 85.4° | 60.0° |
| C6 | C30 | C31 | H7 | 154.5° | 60.0° |
| C30 | C6 | C7 | H17 | 0.3° | 0.0° |
| C30 | C31 | C32 | H6 | 119.9° | 120.0° |
| C30 | C31 | C32 | H7 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 133.4° | 180.0° |
| C31 | C30 | H2 | H3 | 119.5° | 119.9° |
| C30 | C31 | C32 | H4 | 13.5° | 60.0° |
| C30 | C31 | C32 | H5 | 106.7° | 60.0° |
| C30 | C31 | H6 | H7 | 120.2° | 119.9° |
| C31 | C32 | C33 | H4 | 119.9° | 120.0° |
| C31 | C32 | C33 | H5 | 119.9° | 120.1° |
| C31 | C32 | C33 | C16 | 176.2° | 180.0° |
| C32 | C31 | C30 | H2 | 154.7° | 60.0° |
| C32 | C31 | C30 | H3 | 85.6° | 60.0° |
| C31 | C32 | H4 | H5 | 120.2° | 120.0° |
| C32 | C31 | H6 | H7 | 120.1° | 120.0° |
| C31 | C32 | C33 | H8 | 55.8° | 60.0° |
| C31 | C32 | C33 | H9 | 63.5° | 59.9° |
| C32 | C33 | C16 | H8 | 120.4° | 120.0° |
| C32 | C33 | C16 | H9 | 120.3° | 120.0° |
| C32 | C33 | C16 | C15 | 69.4° | 90.0° |
| C32 | C33 | C16 | O12 | 110.6° | 90.3° |
| C33 | C32 | H4 | H5 | 120.2° | 120.0° |
| C33 | C32 | C31 | H6 | 106.6° | 60.0° |
| C33 | C32 | C31 | H7 | 13.5° | 60.0° |
| C32 | C33 | H8 | H9 | 118.9° | 120.0° |
| C33 | C16 | C15 | O12 | 180.0° | 179.8° |
| C33 | C16 | C15 | C14 | 179.9° | 180.0° |
| C33 | C16 | O12 | C13 | 179.8° | 180.0° |
| C16 | C33 | C32 | H4 | 63.9° | 60.0° |
| C16 | C33 | C32 | H5 | 56.3° | 59.9° |
| C16 | C33 | H8 | H9 | 118.9° | 120.0° |
| C33 | C16 | C15 | H16 | 0.1° | 0.0° |
| O28 | C26 | O27 | C20 | 157.3° | 180.0° |
| O28 | C26 | C20 | N19 | 27.0° | 0.0° |
| O28 | C26 | C20 | C21 | 90.7° | 120.0° |
| O28 | C26 | C20 | H10 | 148.9° | 120.0° |
| O28 | C26 | O27 | H22 | 0.0° | 0.1° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C15 | C16 | O12 | C13 | 0.3° | 0.2° |
| C16 | C15 | C14 | C13 | 0.1° | 0.2° |
| C15 | C16 | C33 | H8 | 51.0° | 30.0° |
| C15 | C16 | C33 | H9 | 170.3° | 150.0° |
| C16 | C15 | C14 | H15 | 179.9° | 179.9° |
| O12 | C16 | C15 | C14 | 0.1° | 0.2° |
| C16 | O12 | C13 | C14 | 0.3° | 0.1° |
| C16 | O12 | C13 | C17 | 179.9° | 179.8° |
| O12 | C16 | C33 | H8 | 129.0° | 149.7° |
| O12 | C16 | C33 | H9 | 9.7° | 29.7° |
| O12 | C16 | C15 | H16 | 179.9° | 179.8° |
| C15 | C14 | C13 | O12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | C17 | 180.0° | 180.0° |
| O12 | C13 | C14 | C17 | 179.8° | 179.9° |
| O12 | C13 | C17 | N19 | 0.6° | 0.0° |
| O12 | C13 | C17 | O18 | 179.7° | 180.0° |
| O12 | C13 | C14 | H15 | 179.8° | 179.9° |
| C14 | C13 | C17 | N19 | 179.6° | 180.0° |
| C14 | C13 | C17 | O18 | 0.1° | 0.1° |
| C13 | C14 | C15 | H16 | 179.9° | 179.9° |
| O27 | C26 | C20 | N19 | 176.0° | 180.0° |
| O27 | C26 | C20 | C21 | 66.3° | 60.0° |
| O27 | C26 | C20 | H10 | 54.1° | 60.0° |
| C26 | C20 | N19 | C17 | 95.9° | 85.0° |
| C26 | C20 | N19 | C21 | 118.1° | 120.0° |
| C26 | C20 | N19 | H10 | 121.2° | 120.0° |
| C26 | C20 | C21 | H10 | 120.4° | 120.0° |
| C26 | C20 | C21 | C22 | 170.4° | 175.0° |
| C26 | C20 | C21 | H13 | 49.9° | 65.0° |
| C26 | C20 | C21 | H14 | 69.1° | 55.0° |
| C26 | C20 | N19 | H20 | 84.1° | 95.0° |
| C20 | C26 | O27 | H22 | 157.3° | 180.0° |
| C13 | C17 | N19 | O18 | 179.7° | 179.9° |
| C13 | C17 | N19 | C20 | 179.9° | 180.0° |
| C17 | C13 | C14 | H15 | 0.0° | 0.1° |
| C13 | C17 | N19 | H20 | 0.1° | 0.0° |
| C17 | N19 | C20 | H20 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 146.0° | 155.0° |
| C17 | N19 | C20 | H10 | 25.3° | 35.0° |
| C20 | N19 | C17 | O18 | 0.4° | 0.0° |
| N19 | C20 | C21 | H10 | 121.5° | 120.0° |
| N19 | C20 | C21 | C22 | 52.3° | 65.0° |
| N19 | C20 | C21 | H13 | 68.2° | 55.0° |
| N19 | C20 | C21 | H14 | 172.8° | 175.0° |
| O18 | C17 | N19 | H20 | 179.6° | 179.9° |
| C20 | C21 | C22 | H13 | 120.5° | 120.0° |
| C20 | C21 | C22 | H14 | 120.4° | 120.0° |
| C20 | C21 | C22 | C23 | 178.3° | 180.0° |
| C20 | C21 | C22 | H11 | 61.3° | 59.9° |
| C20 | C21 | C22 | H12 | 57.9° | 60.0° |
| C20 | C21 | H13 | H14 | 118.5° | 120.0° |
| C21 | C20 | N19 | H20 | 34.0° | 25.0° |
| C21 | C22 | C23 | H11 | 120.4° | 120.0° |
| C21 | C22 | C23 | H12 | 120.4° | 119.9° |
| C21 | C22 | C23 | O24 | 15.3° | 0.0° |
| C21 | C22 | C23 | O25 | 164.4° | 180.0° |
| C22 | C21 | C20 | H10 | 69.2° | 55.0° |
| C21 | C22 | H11 | H12 | 118.8° | 119.9° |
| C22 | C21 | H13 | H14 | 118.6° | 120.1° |
| C22 | C23 | O24 | O25 | 179.7° | 180.0° |
| C22 | C23 | O25 | H1 | 179.7° | 180.0° |
| C23 | C22 | H11 | H12 | 118.9° | 120.1° |
| C23 | C22 | C21 | H13 | 57.8° | 60.0° |
| C23 | C22 | C21 | H14 | 61.2° | 60.0° |
| O24 | C23 | O25 | H1 | 0.0° | 0.0° |
| O24 | C23 | C22 | H11 | 105.1° | 120.0° |
| O24 | C23 | C22 | H12 | 135.6° | 120.0° |
| O25 | C23 | C22 | H11 | 75.2° | 60.0° |
| O25 | C23 | C22 | H12 | 44.1° | 60.1° |
| H2 | C30 | C31 | H6 | 34.8° | 60.1° |
| H2 | C30 | C31 | H7 | 85.3° | 180.0° |
| H3 | C30 | C31 | H6 | 154.4° | 180.0° |
| H3 | C30 | C31 | H7 | 34.3° | 60.1° |
| H4 | C32 | C31 | H6 | 133.5° | 180.0° |
| H4 | C32 | C31 | H7 | 106.5° | 60.0° |
| H4 | C32 | C33 | H8 | 175.7° | NaN° |
| H4 | C32 | C33 | H9 | 56.5° | 60.1° |
| H5 | C32 | C31 | H6 | 13.3° | 60.0° |
| H5 | C32 | C31 | H7 | 133.4° | NaN° |
| H5 | C32 | C33 | H8 | 64.1° | 60.1° |
| H5 | C32 | C33 | H9 | 176.6° | 180.0° |
| H10 | C20 | C21 | H13 | 170.3° | 175.0° |
| H10 | C20 | C21 | H14 | 51.3° | 65.0° |
| H10 | C20 | N19 | H20 | 154.7° | 145.0° |
| H11 | C22 | C21 | H13 | 178.2° | 179.9° |
| H11 | C22 | C21 | H14 | 59.1° | 60.0° |
| H12 | C22 | C21 | H13 | 62.6° | 60.0° |
| H12 | C22 | C21 | H14 | 178.4° | 180.0° |
| H15 | C14 | C15 | H16 | 0.0° | 0.0° |
