G71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C2 | sing | 1.37Å | 1.43Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| O10 | C4 | doub | 1.22Å | 1.38Å | |
| C4 | C8 | sing | 1.46Å | 1.40Å | |
| N1 | C9 | sing | 1.37Å | 1.34Å | |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.40Å | Aromatic |
| C9 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.40Å | Aromatic |
| N5 | C6 | sing | 1.37Å | 1.34Å | Aromatic |
| C6 | C29 | sing | 1.51Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.53Å | 1.50Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| O28 | C26 | doub | 1.21Å | 1.27Å | |
| C32 | C16 | sing | 1.51Å | 1.49Å | |
| C16 | C15 | doub | 1.34Å | 1.40Å | Aromatic |
| C16 | S12 | sing | 1.71Å | 1.69Å | Aromatic |
| C15 | C14 | sing | 1.37Å | 1.43Å | Aromatic |
| S12 | C13 | sing | 1.76Å | 1.68Å | Aromatic |
| C26 | O27 | sing | 1.34Å | 1.26Å | |
| C26 | C20 | sing | 1.51Å | 1.50Å | |
| C14 | C13 | doub | 1.37Å | 1.41Å | Aromatic |
| C13 | C17 | sing | 1.47Å | 1.50Å | |
| C17 | N19 | sing | 1.35Å | 1.44Å | |
| C17 | O18 | doub | 1.22Å | 1.22Å | |
| N19 | C20 | sing | 1.47Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C22 | C23 | sing | 1.51Å | 1.50Å | |
| C23 | O24 | doub | 1.21Å | 1.26Å | |
| C23 | O25 | sing | 1.34Å | 1.26Å | |
| N5 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| N11 | H5 | sing | 0.97Å | 1.00Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| N19 | H8 | sing | 0.97Å | 1.00Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| O25 | H14 | sing | 0.97Å | 0.95Å | |
| O27 | H15 | sing | 0.97Å | 0.95Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C2 | N3 | 119.8° | 118.6° |
| N11 | C2 | N1 | 119.8° | 118.6° |
| C2 | N11 | H4 | 120.0° | 120.0° |
| C2 | N11 | H5 | 120.0° | 120.0° |
| C2 | N3 | C4 | 122.2° | 121.2° |
| N3 | C2 | N1 | 120.4° | 122.8° |
| N3 | C4 | O10 | 118.9° | 120.8° |
| N3 | C4 | C8 | 118.5° | 118.5° |
| C2 | N1 | C9 | 120.7° | 120.6° |
| C2 | N1 | H24 | 119.6° | 119.7° |
| O10 | C4 | C8 | 122.5° | 120.8° |
| C4 | C8 | C9 | 117.8° | 118.6° |
| C4 | C8 | C7 | 136.4° | 134.9° |
| N1 | C9 | C8 | 120.4° | 118.4° |
| N1 | C9 | N5 | 130.6° | 134.1° |
| C9 | N1 | H24 | 119.7° | 119.7° |
| C9 | C8 | C7 | 105.8° | 106.5° |
| C8 | C9 | N5 | 109.1° | 107.5° |
| C8 | C7 | C6 | 106.7° | 106.5° |
| C8 | C7 | H3 | 126.7° | 126.8° |
| C9 | N5 | C6 | 110.1° | 110.1° |
| C9 | N5 | H2 | 124.9° | 124.9° |
| C7 | C6 | N5 | 108.3° | 109.4° |
| C7 | C6 | C29 | 126.5° | 125.3° |
| C6 | C7 | H3 | 126.6° | 126.7° |
| N5 | C6 | C29 | 125.2° | 125.3° |
| C6 | N5 | H2 | 125.0° | 125.0° |
| C6 | C29 | C30 | 111.1° | 109.5° |
| C6 | C29 | H16 | 109.1° | 109.5° |
| C6 | C29 | H17 | 109.1° | 109.5° |
| C29 | C30 | C31 | 112.4° | 109.5° |
| C30 | C29 | H16 | 109.0° | 109.5° |
| C30 | C29 | H17 | 109.0° | 109.5° |
| C29 | C30 | H18 | 108.7° | 109.5° |
| C29 | C30 | H19 | 108.8° | 109.4° |
| C30 | C31 | C32 | 111.6° | 109.5° |
| C31 | C30 | H18 | 108.7° | 109.5° |
| C31 | C30 | H19 | 108.7° | 109.5° |
| C30 | C31 | H20 | 108.9° | 109.5° |
| C30 | C31 | H21 | 109.0° | 109.5° |
| C31 | C32 | C16 | 110.0° | 109.5° |
| C32 | C31 | H20 | 109.0° | 109.5° |
| C32 | C31 | H21 | 108.9° | 109.4° |
| C31 | C32 | H22 | 109.3° | 109.5° |
| C31 | C32 | H23 | 109.3° | 109.4° |
| O28 | C26 | O27 | 118.7° | 120.0° |
| O28 | C26 | C20 | 120.9° | 120.0° |
| C32 | C16 | C15 | 126.5° | 124.6° |
| C32 | C16 | S12 | 126.3° | 124.5° |
| C16 | C32 | H22 | 109.3° | 109.5° |
| C16 | C32 | H23 | 109.3° | 109.5° |
| C15 | C16 | S12 | 107.2° | 110.9° |
| C16 | C15 | C14 | 112.2° | 115.1° |
| C16 | C15 | H7 | 123.9° | 122.4° |
| C16 | S12 | C13 | 99.7° | 91.5° |
| C15 | C14 | C13 | 115.4° | 113.3° |
| C15 | C14 | H6 | 122.3° | 123.4° |
| C14 | C15 | H7 | 123.9° | 122.4° |
| S12 | C13 | C14 | 105.5° | 109.1° |
| S12 | C13 | C17 | 126.5° | 125.4° |
| O27 | C26 | C20 | 120.4° | 120.0° |
| C26 | O27 | H15 | 109.5° | 117.0° |
| C26 | C20 | N19 | 108.5° | 109.5° |
| C26 | C20 | C21 | 109.5° | 109.5° |
| C26 | C20 | H9 | 109.5° | 109.5° |
| C14 | C13 | C17 | 128.0° | 125.5° |
| C13 | C14 | H6 | 122.3° | 123.3° |
| C13 | C17 | N19 | 120.0° | 120.0° |
| C13 | C17 | O18 | 119.5° | 120.0° |
| N19 | C17 | O18 | 120.4° | 120.0° |
| C17 | N19 | C20 | 122.2° | 120.0° |
| C17 | N19 | H8 | 118.9° | 120.0° |
| N19 | C20 | C21 | 109.4° | 109.5° |
| C20 | N19 | H8 | 118.9° | 120.0° |
| N19 | C20 | H9 | 110.4° | 109.5° |
| C20 | C21 | C22 | 111.2° | 109.5° |
| C21 | C20 | H9 | 109.6° | 109.5° |
| C20 | C21 | H10 | 109.0° | 109.5° |
| C20 | C21 | H11 | 109.0° | 109.4° |
| C21 | C22 | C23 | 110.7° | 109.5° |
| C22 | C21 | H10 | 109.0° | 109.5° |
| C22 | C21 | H11 | 109.1° | 109.5° |
| C21 | C22 | H12 | 109.2° | 109.5° |
| C21 | C22 | H13 | 109.2° | 109.5° |
| C22 | C23 | O24 | 120.7° | 120.0° |
| C22 | C23 | O25 | 120.0° | 120.0° |
| C23 | C22 | H12 | 109.1° | 109.5° |
| C23 | C22 | H13 | 109.2° | 109.5° |
| O24 | C23 | O25 | 119.3° | 120.0° |
| C23 | O25 | H14 | 109.5° | 117.0° |
| H4 | N11 | H5 | 120.0° | 120.0° |
| H10 | C21 | H11 | 109.5° | 109.5° |
| H12 | C22 | H13 | 109.4° | 109.5° |
| H16 | C29 | H17 | 109.4° | 109.4° |
| H18 | C30 | H19 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C2 | N3 | N1 | 180.0° | 180.0° |
| N11 | C2 | N3 | C4 | 179.8° | 180.0° |
| N11 | C2 | N1 | C9 | 179.9° | 180.0° |
| C2 | N11 | H4 | H5 | 180.0° | 180.0° |
| N11 | C2 | N1 | H24 | 0.1° | 0.3° |
| C2 | N3 | C4 | O10 | 179.6° | 180.0° |
| C2 | N3 | C4 | C8 | 0.5° | 0.0° |
| N3 | C2 | N1 | C9 | 0.1° | 0.0° |
| N3 | C2 | N11 | H4 | 0.0° | 180.0° |
| N3 | C2 | N11 | H5 | 180.0° | 0.0° |
| N3 | C2 | N1 | H24 | 179.9° | 179.8° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | O10 | C8 | 179.9° | 180.0° |
| N3 | C4 | C8 | C9 | 0.5° | 0.0° |
| N3 | C4 | C8 | C7 | 180.0° | 179.9° |
| C2 | N1 | C9 | H24 | 180.0° | 179.7° |
| C2 | N1 | C9 | C8 | 0.0° | 0.0° |
| C2 | N1 | C9 | N5 | 179.8° | 179.7° |
| N1 | C2 | N11 | H4 | 179.9° | 0.0° |
| N1 | C2 | N11 | H5 | 0.0° | 180.0° |
| O10 | C4 | C8 | C9 | 179.6° | 180.0° |
| O10 | C4 | C8 | C7 | 0.1° | 0.1° |
| C4 | C8 | C9 | N1 | 0.3° | 0.0° |
| C4 | C8 | C9 | C7 | 179.6° | 179.9° |
| C4 | C8 | C9 | N5 | 179.9° | 179.8° |
| C4 | C8 | C7 | C6 | 179.5° | 179.9° |
| C4 | C8 | C7 | H3 | 0.5° | 0.2° |
| N1 | C9 | C8 | N5 | 179.8° | 179.8° |
| N1 | C9 | C8 | C7 | 180.0° | 180.0° |
| N1 | C9 | N5 | C6 | 179.8° | 180.0° |
| N1 | C9 | N5 | H2 | 0.3° | 0.3° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C8 | C9 | N5 | C6 | 0.4° | 0.3° |
| C8 | C9 | N5 | H2 | 179.5° | 179.9° |
| C9 | C8 | C7 | H3 | 179.9° | 179.8° |
| C8 | C9 | N1 | H24 | 180.0° | 179.8° |
| C7 | C8 | C9 | N5 | 0.2° | 0.2° |
| C8 | C7 | C6 | H3 | 180.0° | 179.8° |
| C8 | C7 | C6 | N5 | 0.3° | 0.2° |
| C8 | C7 | C6 | C29 | 179.2° | 179.9° |
| C9 | N5 | C6 | C7 | 0.5° | 0.3° |
| C9 | N5 | C6 | H2 | 180.0° | 179.7° |
| C9 | N5 | C6 | C29 | 179.0° | 179.8° |
| N5 | C9 | N1 | H24 | 0.2° | 0.0° |
| C7 | C6 | N5 | C29 | 179.5° | 179.9° |
| C7 | C6 | C29 | C30 | 110.3° | 85.1° |
| C7 | C6 | N5 | H2 | 179.5° | 179.9° |
| C7 | C6 | C29 | H16 | 9.9° | 35.0° |
| C7 | C6 | C29 | H17 | 129.4° | 154.9° |
| N5 | C6 | C29 | C30 | 69.1° | 95.0° |
| N5 | C6 | C7 | H3 | 179.7° | 180.0° |
| N5 | C6 | C29 | H16 | 170.7° | 145.0° |
| N5 | C6 | C29 | H17 | 51.2° | 25.0° |
| C6 | C29 | C30 | H16 | 120.3° | 120.0° |
| C6 | C29 | C30 | H17 | 120.3° | 120.0° |
| C6 | C29 | C30 | C31 | 56.8° | 180.0° |
| C29 | C6 | N5 | H2 | 1.0° | 0.1° |
| C29 | C6 | C7 | H3 | 0.9° | 0.1° |
| C6 | C29 | H16 | H17 | 119.3° | 120.0° |
| C6 | C29 | C30 | H18 | 177.2° | 59.9° |
| C6 | C29 | C30 | H19 | 63.7° | 60.0° |
| C29 | C30 | C31 | H18 | 120.4° | 120.1° |
| C29 | C30 | C31 | H19 | 120.5° | 119.9° |
| C29 | C30 | C31 | C32 | 155.7° | 180.0° |
| C30 | C29 | H16 | H17 | 119.2° | 120.0° |
| C29 | C30 | H18 | H19 | 118.7° | 119.9° |
| C29 | C30 | C31 | H20 | 84.0° | 60.0° |
| C29 | C30 | C31 | H21 | 35.4° | 60.1° |
| C30 | C31 | C32 | H20 | 120.3° | 120.0° |
| C30 | C31 | C32 | H21 | 120.3° | 120.0° |
| C30 | C31 | C32 | C16 | 84.9° | 179.9° |
| C31 | C30 | C29 | H16 | 63.5° | 59.9° |
| C31 | C30 | C29 | H17 | 177.0° | 60.0° |
| C31 | C30 | H18 | H19 | 118.7° | 120.0° |
| C30 | C31 | H20 | H21 | 119.1° | 120.0° |
| C30 | C31 | C32 | H22 | 155.1° | 60.0° |
| C30 | C31 | C32 | H23 | 35.3° | 60.0° |
| C31 | C32 | C16 | H22 | 120.1° | 120.0° |
| C31 | C32 | C16 | H23 | 120.1° | 120.0° |
| C31 | C32 | C16 | C15 | 92.5° | 90.0° |
| C31 | C32 | C16 | S12 | 87.2° | 90.0° |
| C32 | C31 | C30 | H18 | 35.3° | 60.0° |
| C32 | C31 | C30 | H19 | 83.8° | 60.0° |
| C32 | C31 | H20 | H21 | 119.0° | 120.0° |
| C31 | C32 | H22 | H23 | 119.7° | 120.0° |
| O28 | C26 | O27 | C20 | 179.9° | 180.0° |
| O28 | C26 | C20 | N19 | 6.9° | 0.0° |
| O28 | C26 | C20 | C21 | 112.4° | 120.0° |
| O28 | C26 | C20 | H9 | 127.5° | 120.0° |
| O28 | C26 | O27 | H15 | 0.0° | 0.0° |
| C32 | C16 | C15 | S12 | 179.7° | 180.0° |
| C32 | C16 | C15 | C14 | 179.5° | 180.0° |
| C32 | C16 | S12 | C13 | 179.6° | 180.0° |
| C32 | C16 | C15 | H7 | 0.5° | 0.1° |
| C16 | C32 | C31 | H20 | 35.4° | 60.0° |
| C16 | C32 | C31 | H21 | 154.8° | 60.0° |
| C16 | C32 | H22 | H23 | 119.7° | 120.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C15 | C16 | S12 | C13 | 0.1° | 0.0° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C16 | C15 | C14 | H6 | 179.8° | 180.0° |
| C15 | C16 | C32 | H22 | 27.6° | 150.0° |
| C15 | C16 | C32 | H23 | 147.4° | 30.0° |
| S12 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | S12 | C13 | C14 | 0.1° | 0.0° |
| C16 | S12 | C13 | C17 | 178.5° | 180.0° |
| S12 | C16 | C15 | H7 | 179.8° | 180.0° |
| S12 | C16 | C32 | H22 | 152.7° | 30.0° |
| S12 | C16 | C32 | H23 | 32.9° | 150.1° |
| C15 | C14 | C13 | S12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H6 | 180.0° | 179.9° |
| C15 | C14 | C13 | C17 | 178.6° | 180.0° |
| S12 | C13 | C14 | C17 | 178.4° | 179.9° |
| S12 | C13 | C17 | N19 | 1.2° | 0.1° |
| S12 | C13 | C17 | O18 | 178.9° | 180.0° |
| S12 | C13 | C14 | H6 | 179.8° | 180.0° |
| O27 | C26 | C20 | N19 | 173.1° | 180.0° |
| O27 | C26 | C20 | C21 | 67.6° | 60.0° |
| O27 | C26 | C20 | H9 | 52.6° | 60.0° |
| C26 | C20 | N19 | C17 | 77.7° | 85.0° |
| C26 | C20 | N19 | C21 | 119.3° | 120.0° |
| C26 | C20 | N19 | H9 | 119.9° | 120.0° |
| C26 | C20 | C21 | H9 | 120.0° | 120.0° |
| C26 | C20 | C21 | C22 | 113.3° | 175.0° |
| C26 | C20 | N19 | H8 | 102.3° | 95.0° |
| C26 | C20 | C21 | H10 | 126.4° | 65.0° |
| C26 | C20 | C21 | H11 | 7.0° | 55.0° |
| C20 | C26 | O27 | H15 | 179.9° | 180.0° |
| C14 | C13 | C17 | N19 | 176.9° | 180.0° |
| C14 | C13 | C17 | O18 | 0.8° | 0.1° |
| C13 | C14 | C15 | H7 | 179.7° | 180.0° |
| C13 | C17 | N19 | O18 | 177.6° | 180.0° |
| C13 | C17 | N19 | C20 | 178.1° | 180.0° |
| C17 | C13 | C14 | H6 | 1.4° | 0.1° |
| C13 | C17 | N19 | H8 | 1.9° | 0.0° |
| C17 | N19 | C20 | H8 | 180.0° | 180.0° |
| C17 | N19 | C20 | C21 | 163.0° | 155.0° |
| C17 | N19 | C20 | H9 | 42.3° | 35.0° |
| O18 | C17 | N19 | C20 | 0.4° | 0.0° |
| O18 | C17 | N19 | H8 | 179.6° | 180.0° |
| N19 | C20 | C21 | H9 | 121.2° | 120.0° |
| N19 | C20 | C21 | C22 | 128.0° | 65.0° |
| N19 | C20 | C21 | H10 | 7.7° | 55.0° |
| N19 | C20 | C21 | H11 | 111.8° | 175.0° |
| C20 | C21 | C22 | H10 | 120.2° | 120.0° |
| C20 | C21 | C22 | H11 | 120.3° | 119.9° |
| C20 | C21 | C22 | C23 | 148.6° | 180.0° |
| C21 | C20 | N19 | H8 | 17.0° | 25.0° |
| C20 | C21 | H10 | H11 | 119.2° | 119.9° |
| C20 | C21 | C22 | H12 | 91.2° | 60.0° |
| C20 | C21 | C22 | H13 | 28.4° | 60.0° |
| C21 | C22 | C23 | H12 | 120.2° | 120.1° |
| C21 | C22 | C23 | H13 | 120.2° | 120.0° |
| C21 | C22 | C23 | O24 | 102.2° | 0.0° |
| C21 | C22 | C23 | O25 | 78.3° | 180.0° |
| C22 | C21 | C20 | H9 | 6.7° | 55.0° |
| C22 | C21 | H10 | H11 | 119.2° | 120.1° |
| C21 | C22 | H12 | H13 | 119.4° | 120.0° |
| C22 | C23 | O24 | O25 | 179.5° | 180.0° |
| C23 | C22 | C21 | H10 | 28.4° | 60.0° |
| C23 | C22 | C21 | H11 | 91.1° | 60.1° |
| C23 | C22 | H12 | H13 | 119.4° | 120.0° |
| C22 | C23 | O25 | H14 | 179.5° | 180.0° |
| O24 | C23 | C22 | H12 | 18.0° | 120.0° |
| O24 | C23 | C22 | H13 | 137.6° | 120.0° |
| O24 | C23 | O25 | H14 | 0.0° | 0.0° |
| O25 | C23 | C22 | H12 | 161.5° | 59.9° |
| O25 | C23 | C22 | H13 | 41.9° | 60.0° |
| H6 | C14 | C15 | H7 | 0.3° | 0.1° |
| H8 | N19 | C20 | H9 | 137.7° | 145.0° |
| H9 | C20 | C21 | H10 | 113.5° | 175.0° |
| H9 | C20 | C21 | H11 | 127.0° | 65.0° |
| H10 | C21 | C22 | H12 | 148.5° | 180.0° |
| H10 | C21 | C22 | H13 | 91.9° | 60.0° |
| H11 | C21 | C22 | H12 | 29.1° | 59.9° |
| H11 | C21 | C22 | H13 | 148.7° | 179.9° |
| H16 | C29 | C30 | H18 | 56.9° | 180.0° |
| H16 | C29 | C30 | H19 | 176.0° | 60.0° |
| H17 | C29 | C30 | H18 | 62.5° | 60.1° |
| H17 | C29 | C30 | H19 | 56.6° | 180.0° |
| H18 | C30 | C31 | H20 | 155.6° | 180.0° |
| H18 | C30 | C31 | H21 | 85.0° | 60.0° |
| H19 | C30 | C31 | H20 | 36.5° | 60.0° |
| H19 | C30 | C31 | H21 | 155.9° | 180.0° |
| H20 | C31 | C32 | H22 | 84.6° | 60.0° |
| H20 | C31 | C32 | H23 | 155.5° | 180.0° |
| H21 | C31 | C32 | H22 | 34.7° | 180.0° |
| H21 | C31 | C32 | H23 | 85.1° | 60.0° |
