G94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C2 | sing | 1.37Å | 1.40Å | |
| N3 | C2 | doub | 1.32Å | 1.35Å | |
| N3 | C4 | sing | 1.34Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.32Å | |
| O10 | C4 | doub | 1.22Å | 1.44Å | |
| C4 | C8 | sing | 1.46Å | 1.43Å | |
| N1 | C9 | sing | 1.37Å | 1.35Å | |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.46Å | 1.43Å | Aromatic |
| C9 | N5 | sing | 1.36Å | 1.33Å | Aromatic |
| C7 | C6 | doub | 1.34Å | 1.42Å | Aromatic |
| N5 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| C6 | C29 | sing | 1.51Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C16 | sing | 1.51Å | 1.51Å | |
| O24 | C23 | doub | 1.21Å | 1.29Å | |
| C16 | C15 | doub | 1.34Å | 1.42Å | Aromatic |
| C16 | S12 | sing | 1.71Å | 1.70Å | Aromatic |
| C15 | C14 | sing | 1.37Å | 1.44Å | Aromatic |
| C23 | O25 | sing | 1.34Å | 1.31Å | |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| S12 | C13 | sing | 1.76Å | 1.72Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.47Å | 1.57Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C17 | N19 | sing | 1.35Å | 1.45Å | |
| C17 | O18 | doub | 1.22Å | 1.25Å | |
| C20 | N19 | sing | 1.46Å | 1.43Å | |
| C20 | C26 | sing | 1.51Å | 1.54Å | |
| C26 | O27 | doub | 1.21Å | 1.31Å | |
| C26 | O28 | sing | 1.34Å | 1.28Å | |
| 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 | |
| O28 | 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 | |
| N1 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C2 | N3 | 118.2° | 118.6° |
| N11 | C2 | N1 | 119.9° | 118.6° |
| C2 | N11 | H4 | 120.0° | 120.0° |
| C2 | N11 | H5 | 120.0° | 120.0° |
| C2 | N3 | C4 | 121.5° | 121.2° |
| N3 | C2 | N1 | 121.9° | 122.8° |
| N3 | C4 | O10 | 119.4° | 120.8° |
| N3 | C4 | C8 | 118.4° | 118.4° |
| C2 | N1 | C9 | 121.0° | 120.5° |
| C2 | N1 | H22 | 119.5° | 119.7° |
| O10 | C4 | C8 | 122.2° | 120.8° |
| C4 | C8 | C9 | 117.9° | 118.6° |
| C4 | C8 | C7 | 136.6° | 134.9° |
| N1 | C9 | C8 | 119.3° | 118.4° |
| N1 | C9 | N5 | 131.3° | 134.1° |
| C9 | N1 | H22 | 119.5° | 119.8° |
| C9 | C8 | C7 | 105.5° | 106.4° |
| C8 | C9 | N5 | 109.5° | 107.5° |
| C8 | C7 | C6 | 105.2° | 106.5° |
| C8 | C7 | H3 | 127.4° | 126.8° |
| C9 | N5 | C6 | 110.2° | 110.2° |
| C9 | N5 | H2 | 124.9° | 124.9° |
| C7 | C6 | N5 | 109.6° | 109.4° |
| C7 | C6 | C29 | 126.0° | 125.3° |
| C6 | C7 | H3 | 127.4° | 126.7° |
| N5 | C6 | C29 | 124.4° | 125.3° |
| C6 | N5 | H2 | 124.9° | 124.9° |
| C6 | C29 | C30 | 112.1° | 109.5° |
| C6 | C29 | H16 | 108.8° | 109.5° |
| C6 | C29 | H17 | 108.8° | 109.4° |
| C29 | C30 | C31 | 112.1° | 109.5° |
| C30 | C29 | H16 | 108.8° | 109.4° |
| C30 | C29 | H17 | 108.8° | 109.4° |
| C29 | C30 | H18 | 108.8° | 109.5° |
| C29 | C30 | H19 | 108.8° | 109.4° |
| C30 | C31 | C16 | 113.2° | 109.5° |
| C31 | C30 | H18 | 108.8° | 109.5° |
| C31 | C30 | H19 | 108.8° | 109.5° |
| C30 | C31 | H20 | 108.5° | 109.4° |
| C30 | C31 | H21 | 108.5° | 109.4° |
| C31 | C16 | C15 | 123.7° | 124.6° |
| C31 | C16 | S12 | 129.6° | 124.5° |
| C16 | C31 | H20 | 108.5° | 109.5° |
| C16 | C31 | H21 | 108.5° | 109.5° |
| O24 | C23 | O25 | 120.1° | 120.0° |
| O24 | C23 | C22 | 119.7° | 120.0° |
| C15 | C16 | S12 | 106.8° | 110.9° |
| C16 | C15 | C14 | 113.3° | 115.1° |
| C16 | C15 | H7 | 123.3° | 122.4° |
| C16 | S12 | C13 | 99.8° | 91.6° |
| C15 | C14 | C13 | 115.4° | 113.3° |
| C15 | C14 | H6 | 122.3° | 123.4° |
| C14 | C15 | H7 | 123.4° | 122.4° |
| O25 | C23 | C22 | 120.2° | 120.0° |
| C23 | O25 | H14 | 109.5° | 117.0° |
| C23 | C22 | C21 | 115.9° | 109.4° |
| C23 | C22 | H12 | 107.9° | 109.5° |
| C23 | C22 | H13 | 107.8° | 109.5° |
| S12 | C13 | C14 | 104.8° | 109.1° |
| S12 | C13 | C17 | 135.4° | 125.5° |
| C14 | C13 | C17 | 119.8° | 125.5° |
| C13 | C14 | H6 | 122.3° | 123.3° |
| C22 | C21 | C20 | 113.6° | 109.5° |
| C22 | C21 | H10 | 108.5° | 109.5° |
| C22 | C21 | H11 | 108.4° | 109.4° |
| C21 | C22 | H12 | 107.8° | 109.5° |
| C21 | C22 | H13 | 107.9° | 109.5° |
| C13 | C17 | N19 | 131.2° | 120.0° |
| C13 | C17 | O18 | 115.7° | 120.0° |
| C21 | C20 | N19 | 106.7° | 109.5° |
| C21 | C20 | C26 | 107.5° | 109.5° |
| C21 | C20 | H9 | 110.9° | 109.5° |
| C20 | C21 | H10 | 108.4° | 109.5° |
| C20 | C21 | H11 | 108.4° | 109.5° |
| N19 | C17 | O18 | 113.1° | 120.0° |
| C17 | N19 | C20 | 130.4° | 120.0° |
| C17 | N19 | H8 | 114.8° | 120.0° |
| N19 | C20 | C26 | 109.6° | 109.5° |
| C20 | N19 | H8 | 114.8° | 120.0° |
| N19 | C20 | H9 | 111.8° | 109.5° |
| C20 | C26 | O27 | 121.2° | 120.0° |
| C20 | C26 | O28 | 119.0° | 120.0° |
| C26 | C20 | H9 | 110.2° | 109.4° |
| O27 | C26 | O28 | 119.8° | 120.0° |
| C26 | O28 | H15 | 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 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.5° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C2 | N3 | N1 | 179.5° | 180.0° |
| N11 | C2 | N3 | C4 | 179.8° | 180.0° |
| N11 | C2 | N1 | C9 | 179.8° | 180.0° |
| C2 | N11 | H4 | H5 | 180.0° | 180.0° |
| N11 | C2 | N1 | H22 | 0.2° | 0.3° |
| C2 | N3 | C4 | O10 | 179.3° | 179.9° |
| C2 | N3 | C4 | C8 | 0.6° | 0.0° |
| N3 | C2 | N1 | C9 | 0.7° | 0.0° |
| N3 | C2 | N11 | H4 | 0.0° | 180.0° |
| N3 | C2 | N11 | H5 | 180.0° | 0.0° |
| N3 | C2 | N1 | H22 | 179.3° | 179.7° |
| C4 | N3 | C2 | N1 | 0.8° | 0.0° |
| N3 | C4 | O10 | C8 | 179.9° | 179.9° |
| N3 | C4 | C8 | C9 | 0.5° | 0.0° |
| N3 | C4 | C8 | C7 | 179.8° | 180.0° |
| C2 | N1 | C9 | H22 | 180.0° | 179.7° |
| C2 | N1 | C9 | C8 | 0.5° | 0.0° |
| C2 | N1 | C9 | N5 | 180.0° | 179.7° |
| N1 | C2 | N11 | H4 | 179.5° | 0.0° |
| N1 | C2 | N11 | H5 | 0.5° | 180.0° |
| O10 | C4 | C8 | C9 | 179.5° | 179.9° |
| O10 | C4 | C8 | C7 | 0.1° | 0.1° |
| C4 | C8 | C9 | N1 | 0.4° | 0.0° |
| C4 | C8 | C9 | C7 | 179.5° | 180.0° |
| C4 | C8 | C9 | N5 | 180.0° | 179.8° |
| C4 | C8 | C7 | C6 | 179.6° | 180.0° |
| C4 | C8 | C7 | H3 | 0.4° | 0.2° |
| N1 | C9 | C8 | N5 | 179.5° | 179.7° |
| N1 | C9 | C8 | C7 | 180.0° | 180.0° |
| N1 | C9 | N5 | C6 | 179.9° | 180.0° |
| N1 | C9 | N5 | H2 | 0.1° | 0.3° |
| C9 | C8 | C7 | C6 | 0.2° | 0.0° |
| C8 | C9 | N5 | C6 | 0.6° | 0.3° |
| C8 | C9 | N5 | H2 | 179.3° | 180.0° |
| C9 | C8 | C7 | H3 | 179.8° | 179.8° |
| C8 | C9 | N1 | H22 | 179.5° | 179.7° |
| C7 | C8 | C9 | N5 | 0.5° | 0.2° |
| C8 | C7 | C6 | H3 | 180.0° | 179.8° |
| C8 | C7 | C6 | N5 | 0.2° | 0.1° |
| C8 | C7 | C6 | C29 | 180.0° | 180.0° |
| C9 | N5 | C6 | C7 | 0.5° | 0.3° |
| C9 | N5 | C6 | H2 | 180.0° | 179.7° |
| C9 | N5 | C6 | C29 | 179.6° | 179.8° |
| N5 | C9 | N1 | H22 | 0.0° | 0.0° |
| C7 | C6 | N5 | C29 | 179.8° | 179.9° |
| C7 | C6 | C29 | C30 | 102.5° | 85.1° |
| C7 | C6 | N5 | H2 | 179.4° | 180.0° |
| C7 | C6 | C29 | H16 | 17.8° | 34.9° |
| C7 | C6 | C29 | H17 | 137.1° | 155.0° |
| N5 | C6 | C29 | C30 | 77.6° | 95.0° |
| N5 | C6 | C7 | H3 | 179.8° | 180.0° |
| N5 | C6 | C29 | H16 | 162.0° | 145.0° |
| N5 | C6 | C29 | H17 | 42.8° | 24.9° |
| C6 | C29 | C30 | H16 | 120.4° | 120.0° |
| C6 | C29 | C30 | H17 | 120.4° | 119.9° |
| C6 | C29 | C30 | C31 | 25.4° | 180.0° |
| C29 | C6 | N5 | H2 | 0.4° | 0.1° |
| C29 | C6 | C7 | H3 | 0.0° | 0.1° |
| C6 | C29 | H16 | H17 | 118.8° | 120.0° |
| C6 | C29 | C30 | H18 | 145.8° | 59.9° |
| C6 | C29 | C30 | H19 | 95.0° | 60.0° |
| C29 | C30 | C31 | H18 | 120.4° | 120.1° |
| C29 | C30 | C31 | H19 | 120.4° | 120.0° |
| C29 | C30 | C31 | C16 | 165.4° | 180.0° |
| C30 | C29 | H16 | H17 | 118.8° | 119.9° |
| C29 | C30 | H18 | H19 | 118.8° | 119.9° |
| C29 | C30 | C31 | H20 | 44.8° | 60.0° |
| C29 | C30 | C31 | H21 | 74.1° | 60.0° |
| C30 | C31 | C16 | H20 | 120.5° | 120.0° |
| C30 | C31 | C16 | H21 | 120.6° | 120.0° |
| C30 | C31 | C16 | C15 | 156.6° | 90.0° |
| C30 | C31 | C16 | S12 | 23.7° | 90.0° |
| C31 | C30 | C29 | H16 | 95.0° | 60.0° |
| C31 | C30 | C29 | H17 | 145.8° | 60.0° |
| C31 | C30 | H18 | H19 | 118.8° | 120.0° |
| C30 | C31 | H20 | H21 | 118.3° | 120.0° |
| C31 | C16 | C15 | S12 | 179.7° | 180.0° |
| C31 | C16 | C15 | C14 | 179.7° | 180.0° |
| C31 | C16 | S12 | C13 | 179.9° | 180.0° |
| C31 | C16 | C15 | H7 | 0.3° | 0.0° |
| C16 | C31 | C30 | H18 | 74.2° | 60.0° |
| C16 | C31 | C30 | H19 | 45.0° | 60.0° |
| C16 | C31 | H20 | H21 | 118.3° | 120.0° |
| O24 | C23 | O25 | C22 | 179.8° | 179.9° |
| O24 | C23 | C22 | C21 | 161.1° | 0.1° |
| O24 | C23 | C22 | H12 | 78.0° | 120.0° |
| O24 | C23 | C22 | H13 | 40.1° | 120.0° |
| O24 | C23 | O25 | H14 | 0.0° | 0.1° |
| C16 | C15 | C14 | H7 | 180.0° | 180.0° |
| C15 | C16 | S12 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.0° |
| C16 | C15 | C14 | H6 | 179.7° | 180.0° |
| C15 | C16 | C31 | H20 | 82.9° | 150.0° |
| C15 | C16 | C31 | H21 | 36.0° | 30.0° |
| S12 | C16 | C15 | C14 | 0.0° | 0.0° |
| C16 | S12 | C13 | C14 | 0.3° | 0.0° |
| C16 | S12 | C13 | C17 | 179.4° | 180.0° |
| S12 | C16 | C15 | H7 | 180.0° | 180.0° |
| S12 | C16 | C31 | H20 | 96.8° | 30.0° |
| S12 | C16 | C31 | H21 | 144.3° | 150.0° |
| C15 | C14 | C13 | S12 | 0.4° | 0.0° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C15 | C14 | C13 | C17 | 179.4° | 180.0° |
| O25 | C23 | C22 | C21 | 19.1° | 180.0° |
| O25 | C23 | C22 | H12 | 101.8° | 59.9° |
| O25 | C23 | C22 | H13 | 140.1° | 60.0° |
| C23 | C22 | C21 | H12 | 120.9° | 120.0° |
| C23 | C22 | C21 | H13 | 120.9° | 120.0° |
| C23 | C22 | C21 | C20 | 83.9° | 180.0° |
| C23 | C22 | C21 | H10 | 155.5° | 60.0° |
| C23 | C22 | C21 | H11 | 36.7° | 60.0° |
| C23 | C22 | H12 | H13 | 117.1° | 120.0° |
| C22 | C23 | O25 | H14 | 179.8° | 180.0° |
| S12 | C13 | C14 | C17 | 179.7° | 180.0° |
| S12 | C13 | C17 | N19 | 2.0° | 0.0° |
| S12 | C13 | C17 | O18 | 179.3° | 180.0° |
| S12 | C13 | C14 | H6 | 179.6° | 180.0° |
| C14 | C13 | C17 | N19 | 177.6° | 180.0° |
| C14 | C13 | C17 | O18 | 1.0° | 0.0° |
| C13 | C14 | C15 | H7 | 179.8° | 180.0° |
| C22 | C21 | C20 | H10 | 120.6° | 120.0° |
| C22 | C21 | C20 | H11 | 120.6° | 120.0° |
| C22 | C21 | C20 | N19 | 114.6° | 65.0° |
| C22 | C21 | C20 | C26 | 128.0° | 175.0° |
| C22 | C21 | C20 | H9 | 7.4° | 55.0° |
| C22 | C21 | H10 | H11 | 118.1° | 120.0° |
| C21 | C22 | H12 | H13 | 117.1° | 120.0° |
| C13 | C17 | N19 | O18 | 178.7° | 180.0° |
| C13 | C17 | N19 | C20 | 1.8° | 180.0° |
| C17 | C13 | C14 | H6 | 0.6° | 0.0° |
| C13 | C17 | N19 | H8 | 178.3° | 0.0° |
| C21 | C20 | N19 | C17 | 119.7° | 155.0° |
| C21 | C20 | N19 | C26 | 116.1° | 120.0° |
| C21 | C20 | N19 | H9 | 121.5° | 120.0° |
| C21 | C20 | C26 | H9 | 121.0° | 120.0° |
| C21 | C20 | C26 | O27 | 163.8° | 120.0° |
| C21 | C20 | C26 | O28 | 16.3° | 60.0° |
| C21 | C20 | N19 | H8 | 60.2° | 25.0° |
| C20 | C21 | H10 | H11 | 118.1° | 120.0° |
| C20 | C21 | C22 | H12 | 37.0° | 60.0° |
| C20 | C21 | C22 | H13 | 155.1° | 60.0° |
| C17 | N19 | C20 | H8 | 180.0° | 180.0° |
| C17 | N19 | C20 | C26 | 124.2° | 85.0° |
| C17 | N19 | C20 | H9 | 1.8° | 35.0° |
| O18 | C17 | N19 | C20 | 179.6° | 0.0° |
| O18 | C17 | N19 | H8 | 0.4° | 179.9° |
| N19 | C20 | C26 | H9 | 123.4° | 120.0° |
| N19 | C20 | C26 | O27 | 80.6° | 0.1° |
| N19 | C20 | C26 | O28 | 99.3° | 180.0° |
| N19 | C20 | C21 | H10 | 124.8° | 55.0° |
| N19 | C20 | C21 | H11 | 6.0° | 175.0° |
| C20 | C26 | O27 | O28 | 179.9° | 180.0° |
| C26 | C20 | N19 | H8 | 55.8° | 95.0° |
| C26 | C20 | C21 | H10 | 7.3° | 65.0° |
| C26 | C20 | C21 | H11 | 111.4° | 55.0° |
| C20 | C26 | O28 | H15 | 179.9° | 179.9° |
| O27 | C26 | C20 | H9 | 42.8° | 120.0° |
| O27 | C26 | O28 | H15 | 0.0° | 0.0° |
| O28 | C26 | C20 | H9 | 137.3° | 60.0° |
| H6 | C14 | C15 | H7 | 0.3° | 0.0° |
| H8 | N19 | C20 | H9 | 178.3° | 145.1° |
| H9 | C20 | C21 | H10 | 113.2° | 175.0° |
| H9 | C20 | C21 | H11 | 128.1° | 65.0° |
| H10 | C21 | C22 | H12 | 83.6° | 180.0° |
| H10 | C21 | C22 | H13 | 34.5° | 60.0° |
| H11 | C21 | C22 | H12 | 157.6° | 60.0° |
| H11 | C21 | C22 | H13 | 84.2° | 180.0° |
| H16 | C29 | C30 | H18 | 25.4° | 180.0° |
| H16 | C29 | C30 | H19 | 144.6° | 60.0° |
| H17 | C29 | C30 | H18 | 93.9° | 60.0° |
| H17 | C29 | C30 | H19 | 25.3° | 179.9° |
| H18 | C30 | C31 | H20 | 165.2° | 60.1° |
| H18 | C30 | C31 | H21 | 46.3° | 179.9° |
| H19 | C30 | C31 | H20 | 75.6° | 180.0° |
| H19 | C30 | C31 | H21 | 165.6° | 60.0° |
