SUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | N25 | sing | 1.32Å | 1.35Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | S20 | sing | 1.76Å | 1.70Å | |
| N19 | C18 | sing | 1.47Å | 1.46Å | |
| S20 | C2 | sing | 1.76Å | 1.68Å | |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C2 | N3 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | N13 | sing | 1.49Å | 1.46Å | |
| C15 | C14 | sing | 1.54Å | 1.53Å | |
| N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N13 | C4 | sing | 1.38Å | 1.41Å | |
| N13 | C14 | sing | 1.49Å | 1.46Å | |
| C4 | C5 | doub | 1.40Å | 1.50Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.49Å | Aromatic |
| C6 | N7 | sing | 1.37Å | 1.36Å | Aromatic |
| C5 | C9 | sing | 1.46Å | 1.47Å | Aromatic |
| N7 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.34Å | 1.46Å | Aromatic |
| C9 | CL1 | sing | 1.74Å | 1.83Å | |
| C8 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| N7 | H6 | sing | 0.97Å | 1.00Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| N19 | H11 | sing | 1.01Å | 1.00Å | |
| N19 | H12 | sing | 1.01Å | 1.00Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N23 | C24 | N25 | 121.1° | 121.9° |
| C24 | N23 | C22 | 120.5° | 120.8° |
| N23 | C24 | H18 | 119.4° | 119.0° |
| C24 | N25 | C26 | 120.8° | 120.9° |
| N25 | C24 | H18 | 119.5° | 119.0° |
| N23 | C22 | C21 | 119.6° | 119.0° |
| N23 | C22 | H19 | 120.2° | 120.5° |
| N25 | C26 | C21 | 119.3° | 119.0° |
| N25 | C26 | H17 | 120.3° | 120.5° |
| C22 | C21 | C26 | 118.8° | 118.3° |
| C22 | C21 | S20 | 121.6° | 120.8° |
| C21 | C22 | H19 | 120.2° | 120.5° |
| C26 | C21 | S20 | 119.6° | 120.9° |
| C21 | C26 | H17 | 120.4° | 120.6° |
| C21 | S20 | C2 | 113.0° | 100.0° |
| N19 | C18 | C16 | 109.9° | 117.4° |
| N19 | C18 | C15 | 106.4° | 117.5° |
| N19 | C18 | H10 | 122.4° | 115.4° |
| C18 | N19 | H11 | 109.5° | 111.0° |
| C18 | N19 | H12 | 109.5° | 111.0° |
| S20 | C2 | N3 | 120.7° | 118.8° |
| S20 | C2 | N1 | 116.0° | 118.7° |
| C16 | C18 | C15 | 60.1° | 60.5° |
| C18 | C16 | C17 | 113.6° | 118.1° |
| C18 | C16 | C15 | 59.9° | 59.7° |
| C18 | C16 | H9 | 120.5° | 120.3° |
| C16 | C18 | H10 | 120.8° | 117.5° |
| C18 | C15 | C16 | 60.0° | 59.7° |
| C18 | C15 | C14 | 113.3° | 118.1° |
| C15 | C18 | H10 | 120.9° | 117.5° |
| C18 | C15 | H14 | 120.1° | 119.5° |
| C17 | C16 | C15 | 106.9° | 105.1° |
| C16 | C17 | N13 | 102.9° | 104.6° |
| C16 | C17 | H7 | 111.1° | 110.4° |
| C16 | C17 | H8 | 111.1° | 110.5° |
| C17 | C16 | H9 | 120.3° | 117.6° |
| C16 | C15 | C14 | 108.8° | 105.1° |
| C15 | C16 | H9 | 120.5° | 121.8° |
| C16 | C15 | H14 | 120.0° | 121.8° |
| N3 | C2 | N1 | 123.3° | 122.5° |
| C2 | N3 | C4 | 123.2° | 120.9° |
| C2 | N1 | C6 | 121.8° | 120.7° |
| N3 | C4 | N13 | 116.1° | 120.8° |
| N3 | C4 | C5 | 115.5° | 118.5° |
| C17 | N13 | C4 | 121.2° | 111.0° |
| C17 | N13 | C14 | 115.5° | 104.2° |
| N13 | C17 | H7 | 111.1° | 110.4° |
| N13 | C17 | H8 | 111.1° | 110.3° |
| C15 | C14 | N13 | 102.4° | 104.6° |
| C14 | C15 | H14 | 120.0° | 118.2° |
| C15 | C14 | H15 | 111.2° | 110.5° |
| C15 | C14 | H16 | 111.2° | 110.4° |
| N1 | C6 | C5 | 117.8° | 118.6° |
| N1 | C6 | N7 | 130.3° | 134.2° |
| C4 | N13 | C14 | 122.4° | 111.0° |
| N13 | C4 | C5 | 128.2° | 120.8° |
| N13 | C14 | H15 | 111.2° | 110.4° |
| N13 | C14 | H16 | 111.2° | 110.4° |
| C4 | C5 | C6 | 118.4° | 118.8° |
| C4 | C5 | C9 | 142.0° | 135.0° |
| C5 | C6 | N7 | 111.9° | 107.2° |
| C6 | C5 | C9 | 99.6° | 106.2° |
| C6 | N7 | C8 | 112.0° | 110.0° |
| C6 | N7 | H6 | 124.0° | 125.0° |
| C5 | C9 | C8 | 111.2° | 106.8° |
| C5 | C9 | CL1 | 126.0° | 126.6° |
| N7 | C8 | C9 | 105.3° | 109.8° |
| N7 | C8 | C10 | 127.2° | 125.1° |
| C8 | N7 | H6 | 124.0° | 125.1° |
| C8 | C9 | CL1 | 122.7° | 126.6° |
| C9 | C8 | C10 | 127.5° | 125.1° |
| C8 | C10 | C11 | 109.2° | 109.4° |
| C8 | C10 | H1 | 109.5° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C11 | C10 | H1 | 109.5° | 109.5° |
| C11 | C10 | H2 | 109.5° | 109.4° |
| C10 | C11 | H3 | 109.5° | 109.4° |
| C10 | C11 | H4 | 109.5° | 109.5° |
| C10 | C11 | H5 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H3 | C11 | H5 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 110.4° |
| H11 | N19 | H12 | 109.5° | 111.0° |
| H15 | C14 | H16 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | N25 | H18 | 180.0° | 179.8° |
| N23 | C24 | N25 | C26 | 0.2° | 0.1° |
| C24 | N23 | C22 | C21 | 0.1° | 0.5° |
| C24 | N23 | C22 | H19 | 179.9° | 180.0° |
| N25 | C24 | N23 | C22 | 0.1° | 0.2° |
| C24 | N25 | C26 | C21 | 0.7° | 0.0° |
| C24 | N25 | C26 | H17 | 179.3° | 179.9° |
| N23 | C22 | C21 | H19 | 180.0° | 179.5° |
| N23 | C22 | C21 | C26 | 0.5° | 0.5° |
| N23 | C22 | C21 | S20 | 179.7° | 179.8° |
| C22 | N23 | C24 | H18 | 179.9° | 180.0° |
| N25 | C26 | C21 | C22 | 0.8° | 0.3° |
| N25 | C26 | C21 | H17 | 180.0° | 179.9° |
| N25 | C26 | C21 | S20 | 180.0° | 180.0° |
| C26 | N25 | C24 | H18 | 179.8° | 179.7° |
| C22 | C21 | C26 | S20 | 179.2° | 179.7° |
| C22 | C21 | S20 | C2 | 43.4° | 85.8° |
| C22 | C21 | C26 | H17 | 179.2° | 179.8° |
| C26 | C21 | S20 | C2 | 137.5° | 94.4° |
| C26 | C21 | C22 | H19 | 179.5° | 180.0° |
| C21 | S20 | C2 | N3 | 10.8° | 174.8° |
| C21 | S20 | C2 | N1 | 170.1° | 6.5° |
| S20 | C21 | C26 | H17 | 0.0° | 0.1° |
| S20 | C21 | C22 | H19 | 0.3° | 0.2° |
| N19 | C18 | C16 | C15 | 98.0° | 107.7° |
| N19 | C18 | C16 | H10 | 151.7° | 144.6° |
| N19 | C18 | C15 | H10 | 145.9° | 144.7° |
| N19 | C18 | C16 | C17 | 165.5° | 160.6° |
| N19 | C18 | C15 | C14 | 157.0° | 160.7° |
| N19 | C18 | C16 | H9 | 11.8° | 3.8° |
| C18 | N19 | H11 | H12 | 120.0° | 123.9° |
| N19 | C18 | C15 | H14 | 5.5° | 4.1° |
| S20 | C2 | N3 | N1 | 179.0° | 178.7° |
| S20 | C2 | N3 | C4 | 177.2° | 180.0° |
| S20 | C2 | N1 | C6 | 177.0° | 179.5° |
| C16 | C18 | C15 | H10 | 110.2° | 107.7° |
| C18 | C16 | C17 | C15 | 63.9° | 63.4° |
| C18 | C16 | C17 | H9 | 153.8° | 157.4° |
| C18 | C16 | C15 | H9 | 109.9° | 108.9° |
| C18 | C16 | C17 | N13 | 52.4° | 87.2° |
| C16 | C18 | C15 | C14 | 99.0° | 91.7° |
| C18 | C16 | C17 | H7 | 66.6° | 154.0° |
| C18 | C16 | C17 | H8 | 171.3° | 31.5° |
| C16 | C18 | N19 | H11 | 180.0° | 179.9° |
| C16 | C18 | N19 | H12 | 60.0° | 56.0° |
| C16 | C18 | C15 | H14 | 109.4° | 111.7° |
| C18 | C15 | C14 | H14 | 151.5° | 156.9° |
| C18 | C15 | C14 | N13 | 55.2° | 87.3° |
| C15 | C18 | N19 | H11 | 116.5° | 110.7° |
| C15 | C18 | N19 | H12 | 3.6° | 13.2° |
| C18 | C15 | C14 | H15 | 174.1° | 31.5° |
| C18 | C15 | C14 | H16 | 63.7° | 154.0° |
| C17 | C16 | C15 | H9 | 142.2° | 137.0° |
| C16 | C17 | N13 | H7 | 119.0° | 118.8° |
| C16 | C17 | N13 | H8 | 118.9° | 118.9° |
| C17 | C16 | C15 | C14 | 1.3° | 0.1° |
| C16 | C17 | N13 | C4 | 150.2° | 159.0° |
| C16 | C17 | N13 | C14 | 19.4° | 39.5° |
| C16 | C17 | H7 | H8 | 123.0° | 122.5° |
| C17 | C16 | C18 | H10 | 13.8° | 16.0° |
| C17 | C16 | C15 | H14 | 142.5° | 137.9° |
| C15 | C16 | C17 | N13 | 11.5° | 23.8° |
| C16 | C15 | C14 | H14 | 143.8° | 139.7° |
| C16 | C15 | C14 | N13 | 9.4° | 23.9° |
| C15 | C16 | C17 | H7 | 130.5° | 142.6° |
| C15 | C16 | C17 | H8 | 107.4° | 94.9° |
| C16 | C15 | C14 | H15 | 109.4° | 94.9° |
| C16 | C15 | C14 | H16 | 128.3° | 142.6° |
| N3 | C2 | N1 | C6 | 2.0° | 0.8° |
| C2 | N3 | C4 | N13 | 177.3° | 179.2° |
| C2 | N3 | C4 | C5 | 1.3° | 0.8° |
| N1 | C2 | N3 | C4 | 1.8° | 1.3° |
| C2 | N1 | C6 | C5 | 1.7° | 0.0° |
| C2 | N1 | C6 | N7 | 178.6° | 179.4° |
| N3 | C4 | N13 | C17 | 8.5° | 60.1° |
| N3 | C4 | N13 | C5 | 175.4° | 179.9° |
| N3 | C4 | N13 | C14 | 160.3° | 55.4° |
| N3 | C4 | C5 | C6 | 1.0° | 0.0° |
| N3 | C4 | C5 | C9 | 178.8° | 179.5° |
| C17 | N13 | C14 | C15 | 18.5° | 39.5° |
| C17 | N13 | C4 | C14 | 168.9° | 115.4° |
| C17 | N13 | C4 | C5 | 176.1° | 119.9° |
| N13 | C17 | H7 | H8 | 123.0° | 122.3° |
| N13 | C17 | C16 | H9 | 153.8° | 115.4° |
| C17 | N13 | C14 | H15 | 100.4° | 79.3° |
| C17 | N13 | C14 | H16 | 137.3° | 158.2° |
| C15 | C14 | N13 | C4 | 151.0° | 159.1° |
| C15 | C14 | N13 | H15 | 118.9° | 118.8° |
| C15 | C14 | N13 | H16 | 118.9° | 118.7° |
| C14 | C15 | C16 | H9 | 143.6° | 137.0° |
| C14 | C15 | C18 | H10 | 11.1° | 16.0° |
| C15 | C14 | H15 | H16 | 123.3° | 122.4° |
| N1 | C6 | C5 | C4 | 1.2° | 0.4° |
| N1 | C6 | C5 | N7 | 179.7° | 179.5° |
| N1 | C6 | C5 | C9 | 179.8° | 179.9° |
| N1 | C6 | N7 | C8 | 179.6° | 179.7° |
| N1 | C6 | N7 | H6 | 0.4° | 0.3° |
| N13 | C4 | C5 | C6 | 176.4° | 180.0° |
| N13 | C4 | C5 | C9 | 5.8° | 0.4° |
| C4 | N13 | C17 | H7 | 31.3° | 82.2° |
| C4 | N13 | C17 | H8 | 90.9° | 40.1° |
| C4 | N13 | C14 | H15 | 90.1° | 40.3° |
| C4 | N13 | C14 | H16 | 32.1° | 82.2° |
| C14 | N13 | C4 | C5 | 15.0° | 124.7° |
| C14 | N13 | C17 | H7 | 138.4° | 158.3° |
| C14 | N13 | C17 | H8 | 99.5° | 79.4° |
| N13 | C14 | C15 | H14 | 153.2° | 115.9° |
| N13 | C14 | H15 | H16 | 123.3° | 122.4° |
| C4 | C5 | C6 | C9 | 178.6° | 179.6° |
| C4 | C5 | C6 | N7 | 179.0° | 180.0° |
| C4 | C5 | C9 | C8 | 178.1° | 180.0° |
| C4 | C5 | C9 | CL1 | 2.1° | 0.3° |
| C5 | C6 | N7 | C8 | 0.7° | 0.2° |
| C6 | C5 | C9 | C8 | 0.1° | 0.4° |
| C6 | C5 | C9 | CL1 | 175.9° | 179.9° |
| C5 | C6 | N7 | H6 | 179.3° | 179.7° |
| N7 | C6 | C5 | C9 | 0.4° | 0.4° |
| C6 | N7 | C8 | H6 | 180.0° | 180.0° |
| C6 | N7 | C8 | C9 | 0.6° | 0.0° |
| C6 | N7 | C8 | C10 | 179.7° | 180.0° |
| C5 | C9 | C8 | N7 | 0.3° | 0.3° |
| C5 | C9 | C8 | CL1 | 176.1° | 179.7° |
| C5 | C9 | C8 | C10 | 180.0° | 179.8° |
| N7 | C8 | C9 | C10 | 179.7° | 179.9° |
| N7 | C8 | C9 | CL1 | 176.4° | 180.0° |
| N7 | C8 | C10 | C11 | 45.8° | 95.0° |
| N7 | C8 | C10 | H1 | 165.8° | 25.0° |
| N7 | C8 | C10 | H2 | 74.2° | 145.0° |
| C9 | C8 | C10 | C11 | 134.6° | 85.0° |
| C9 | C8 | C10 | H1 | 14.6° | 155.0° |
| C9 | C8 | C10 | H2 | 105.5° | 34.9° |
| C9 | C8 | N7 | H6 | 179.4° | 180.0° |
| CL1 | C9 | C8 | C10 | 3.8° | 0.0° |
| C8 | C10 | C11 | H1 | 120.0° | 120.0° |
| C8 | C10 | C11 | H2 | 120.0° | 120.0° |
| C8 | C10 | H1 | H2 | 120.1° | 120.0° |
| C8 | C10 | C11 | H3 | 180.0° | 60.0° |
| C8 | C10 | C11 | H4 | 60.0° | 60.0° |
| C8 | C10 | C11 | H5 | 60.0° | 180.0° |
| C10 | C8 | N7 | H6 | 0.3° | 0.1° |
| C11 | C10 | H1 | H2 | 120.1° | 120.0° |
| C10 | C11 | H3 | H4 | 120.0° | 120.0° |
| C10 | C11 | H3 | H5 | 120.0° | 120.0° |
| C10 | C11 | H4 | H5 | 120.0° | 120.0° |
| H1 | C10 | C11 | H3 | 60.0° | 180.0° |
| H1 | C10 | C11 | H4 | 180.0° | 60.0° |
| H1 | C10 | C11 | H5 | 60.0° | 60.0° |
| H2 | C10 | C11 | H3 | 60.0° | 60.0° |
| H2 | C10 | C11 | H4 | 60.0° | 180.0° |
| H2 | C10 | C11 | H5 | 180.0° | 60.0° |
| H3 | C11 | H4 | H5 | 120.0° | 120.0° |
| H7 | C17 | C16 | H9 | 87.2° | 3.5° |
| H8 | C17 | C16 | H9 | 34.9° | 125.9° |
| H9 | C16 | C18 | H10 | 139.9° | 140.8° |
| H9 | C16 | C15 | H14 | 0.3° | 0.9° |
| H10 | C18 | N19 | H11 | 28.8° | 34.7° |
| H10 | C18 | N19 | H12 | 148.8° | 158.6° |
| H10 | C18 | C15 | H14 | 140.4° | 140.6° |
| H14 | C15 | C14 | H15 | 34.4° | 125.4° |
| H14 | C15 | C14 | H16 | 87.9° | 2.9° |
