BMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C10 | C1 | sing | 1.53Å | 1.54Å | |
| O15 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C1 | C5 | sing | 1.54Å | 1.58Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| S16 | C2 | sing | 1.76Å | 1.74Å | |
| S16 | C17 | sing | 1.81Å | 1.82Å | |
| C18 | C17 | sing | 1.54Å | 1.56Å | |
| C18 | N19 | sing | 1.47Å | 1.49Å | |
| O14 | C7 | doub | 1.21Å | 1.21Å | |
| C5 | N4 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | doub | 1.35Å | 1.33Å | |
| C17 | C24 | sing | 1.54Å | 1.55Å | |
| N19 | C20 | doub | 1.32Å | 1.33Å | Aromatic |
| N19 | N23 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | N4 | sing | 1.40Å | 1.38Å | |
| C3 | C11 | sing | 1.41Å | 1.56Å | |
| C24 | N23 | sing | 1.47Å | 1.51Å | |
| N23 | C22 | sing | 1.32Å | 1.32Å | Aromatic |
| O12 | C11 | doub | 1.33Å | 1.24Å | |
| N21 | C22 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | O13 | sing | 1.33Å | 1.25Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| O15 | HO15 | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | O15 | 110.0° | 109.5° |
| C9 | C8 | C6 | 111.8° | 109.4° |
| C9 | C8 | H8 | 106.4° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| C10 | C1 | C5 | 117.0° | 110.4° |
| C10 | C1 | C2 | 110.4° | 110.4° |
| C10 | C1 | H1 | 101.4° | 110.5° |
| C1 | C10 | H10 | 109.5° | 109.5° |
| C1 | C10 | H10A | 109.5° | 109.5° |
| C1 | C10 | H10B | 109.5° | 109.5° |
| O15 | C8 | C6 | 105.8° | 109.4° |
| O15 | C8 | H8 | 112.4° | 109.5° |
| C8 | O15 | HO15 | 109.5° | 113.9° |
| C8 | C6 | C5 | 113.5° | 109.5° |
| C8 | C6 | C7 | 106.8° | 109.5° |
| C8 | C6 | H6 | 109.3° | 109.5° |
| C6 | C8 | H8 | 110.5° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C6 | C5 | C1 | 118.3° | 110.4° |
| C6 | C5 | N4 | 111.2° | 110.4° |
| C6 | C5 | H5 | 99.9° | 110.4° |
| C5 | C6 | H6 | 104.4° | 109.5° |
| C6 | C7 | O14 | 124.5° | 120.1° |
| C7 | C6 | H6 | 111.5° | 109.4° |
| C6 | C7 | H7 | 117.8° | 120.0° |
| C5 | C1 | C2 | 101.2° | 104.5° |
| C1 | C5 | N4 | 101.7° | 104.7° |
| C5 | C1 | H1 | 110.5° | 110.4° |
| C1 | C5 | H5 | 109.7° | 110.4° |
| C1 | C2 | S16 | 123.0° | 125.6° |
| C1 | C2 | C3 | 110.5° | 108.8° |
| C2 | C1 | H1 | 117.1° | 110.4° |
| C2 | S16 | C17 | 102.7° | 100.0° |
| S16 | C2 | C3 | 126.4° | 125.6° |
| S16 | C17 | C18 | 107.1° | 111.0° |
| S16 | C17 | C24 | 110.4° | 110.8° |
| S16 | C17 | H17 | 109.5° | 110.7° |
| C17 | C18 | N19 | 102.0° | 105.1° |
| C18 | C17 | C24 | 106.7° | 102.4° |
| C18 | C17 | H17 | 113.1° | 110.8° |
| C17 | C18 | H18 | 112.1° | 110.4° |
| C17 | C18 | H18A | 113.6° | 110.3° |
| C18 | N19 | C20 | 141.3° | 143.4° |
| C18 | N19 | N23 | 111.9° | 110.0° |
| N19 | C18 | H18 | 112.1° | 110.4° |
| N19 | C18 | H18A | 113.6° | 110.3° |
| O14 | C7 | H7 | 117.8° | 120.0° |
| C5 | N4 | C3 | 112.2° | 109.3° |
| N4 | C5 | H5 | 116.9° | 110.5° |
| C5 | N4 | HN4 | 108.6° | 125.3° |
| C2 | C3 | N4 | 110.6° | 112.7° |
| C2 | C3 | C11 | 133.2° | 123.6° |
| C17 | C24 | N23 | 101.5° | 105.0° |
| C24 | C17 | H17 | 110.0° | 110.8° |
| C17 | C24 | H24 | 112.2° | 110.3° |
| C17 | C24 | H24A | 113.9° | 110.3° |
| C20 | N19 | N23 | 106.8° | 106.6° |
| N19 | C20 | N21 | 109.9° | 108.4° |
| N19 | C20 | H20 | 125.0° | 125.8° |
| N19 | N23 | C24 | 111.9° | 110.0° |
| N19 | N23 | C22 | 107.2° | 106.7° |
| C20 | N21 | C22 | 106.3° | 109.8° |
| N21 | C20 | H20 | 125.1° | 125.8° |
| N4 | C3 | C11 | 116.2° | 123.7° |
| C3 | N4 | HN4 | 108.6° | 125.4° |
| C3 | C11 | O12 | 116.2° | 120.0° |
| C3 | C11 | O13 | 114.7° | 120.0° |
| C24 | N23 | C22 | 140.9° | 143.3° |
| N23 | C24 | H24 | 112.2° | 110.3° |
| N23 | C24 | H24A | 113.9° | 110.4° |
| N23 | C22 | N21 | 109.8° | 108.4° |
| N23 | C22 | H22 | 125.1° | 125.8° |
| O12 | C11 | O13 | 129.1° | 120.0° |
| N21 | C22 | H22 | 125.1° | 125.8° |
| H18 | C18 | H18A | 103.8° | 110.3° |
| H9 | C9 | H9A | 109.5° | 109.4° |
| H9 | C9 | H9B | 109.4° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| H24 | C24 | H24A | 103.6° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | O15 | C6 | 121.0° | 120.0° |
| C9 | C8 | O15 | H8 | 118.3° | 120.0° |
| C9 | C8 | C6 | H8 | 118.3° | 120.0° |
| C9 | C8 | C6 | C5 | 165.1° | 60.0° |
| C9 | C8 | C6 | C7 | 71.7° | 180.0° |
| C9 | C8 | C6 | H6 | 49.0° | 60.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.1° |
| C8 | C9 | H9A | H9B | 120.0° | 120.1° |
| C9 | C8 | O15 | HO15 | 162.2° | 60.0° |
| C10 | C1 | C5 | C6 | 16.0° | 0.0° |
| C10 | C1 | C5 | C2 | 120.0° | 118.8° |
| C10 | C1 | C5 | H1 | 115.3° | 122.5° |
| C10 | C1 | C2 | H1 | 115.3° | 122.5° |
| C10 | C1 | C2 | S16 | 40.0° | 61.2° |
| C10 | C1 | C5 | N4 | 138.2° | 118.7° |
| C10 | C1 | C2 | C3 | 140.0° | 118.7° |
| C10 | C1 | C5 | H5 | 97.4° | 122.4° |
| C1 | C10 | H10 | H10A | 120.0° | 120.0° |
| C1 | C10 | H10 | H10B | 120.0° | 120.1° |
| C1 | C10 | H10A | H10B | 120.0° | 120.0° |
| O15 | C8 | C6 | H8 | 121.9° | 120.0° |
| O15 | C8 | C6 | C5 | 45.3° | 60.0° |
| O15 | C8 | C6 | C7 | 168.5° | 60.0° |
| O15 | C8 | C6 | H6 | 70.8° | 180.0° |
| O15 | C8 | C9 | H9 | 2.8° | 60.1° |
| O15 | C8 | C9 | H9A | 117.2° | 180.0° |
| O15 | C8 | C9 | H9B | 122.8° | 60.0° |
| C8 | C6 | C5 | C7 | 120.6° | 120.0° |
| C8 | C6 | C5 | H6 | 118.9° | 120.0° |
| C8 | C6 | C7 | H6 | 119.3° | 120.0° |
| C8 | C6 | C5 | C1 | 106.2° | 173.0° |
| C8 | C6 | C7 | O14 | 116.3° | 113.3° |
| C8 | C6 | C5 | N4 | 136.7° | 71.7° |
| C8 | C6 | C5 | H5 | 12.6° | 50.7° |
| C8 | C6 | C7 | H7 | 63.7° | 66.7° |
| C6 | C8 | C9 | H9 | 114.4° | 180.0° |
| C6 | C8 | C9 | H9A | 125.6° | 60.0° |
| C6 | C8 | C9 | H9B | 5.5° | 60.0° |
| C6 | C8 | O15 | HO15 | 76.8° | 180.0° |
| C5 | C6 | C7 | H6 | 116.2° | 120.0° |
| C6 | C5 | C1 | N4 | 122.1° | 118.8° |
| C6 | C5 | C1 | H5 | 113.5° | 122.3° |
| C6 | C5 | C1 | C2 | 104.0° | 118.8° |
| C5 | C6 | C7 | O14 | 119.2° | 126.7° |
| C6 | C5 | N4 | H5 | 113.8° | 122.4° |
| C6 | C5 | N4 | C3 | 110.0° | 118.8° |
| C6 | C5 | C1 | H1 | 131.3° | 122.4° |
| C5 | C6 | C7 | H7 | 60.8° | 53.3° |
| C5 | C6 | C8 | H8 | 76.6° | 180.0° |
| C6 | C5 | N4 | HN4 | 10.0° | 61.3° |
| C7 | C6 | C5 | C1 | 133.3° | 67.0° |
| C6 | C7 | O14 | H7 | 180.0° | 180.0° |
| C7 | C6 | C5 | N4 | 16.1° | 48.3° |
| C7 | C6 | C5 | H5 | 108.0° | 170.7° |
| C7 | C6 | C8 | H8 | 46.6° | 60.0° |
| C5 | C1 | C2 | H1 | 120.2° | 118.7° |
| C5 | C1 | C2 | S16 | 164.6° | 180.0° |
| C1 | C5 | N4 | H5 | 119.4° | 118.8° |
| C5 | C1 | C2 | C3 | 15.5° | 0.1° |
| C1 | C5 | N4 | C3 | 16.8° | 0.0° |
| C1 | C5 | C6 | H6 | 12.8° | 53.0° |
| C5 | C1 | C10 | H10 | 128.7° | 68.7° |
| C5 | C1 | C10 | H10A | 8.7° | 171.4° |
| C5 | C1 | C10 | H10B | 111.3° | 51.4° |
| C1 | C5 | N4 | HN4 | 136.9° | 180.0° |
| C1 | C2 | S16 | C3 | 179.9° | 180.0° |
| C1 | C2 | S16 | C17 | 94.0° | 65.9° |
| C2 | C1 | C5 | N4 | 18.2° | 0.1° |
| C1 | C2 | C3 | N4 | 5.8° | 0.0° |
| C1 | C2 | C3 | C11 | 174.1° | 180.0° |
| C2 | C1 | C5 | H5 | 142.6° | 118.8° |
| C2 | C1 | C10 | H10 | 116.3° | 46.5° |
| C2 | C1 | C10 | H10A | 123.7° | 73.5° |
| C2 | C1 | C10 | H10B | 3.7° | 166.5° |
| C2 | S16 | C17 | C18 | 158.7° | 77.5° |
| C2 | S16 | C17 | C24 | 85.5° | 169.5° |
| S16 | C2 | C3 | N4 | 174.2° | 180.0° |
| S16 | C2 | C3 | C11 | 5.9° | 0.0° |
| S16 | C2 | C1 | H1 | 75.2° | 61.3° |
| C2 | S16 | C17 | H17 | 35.7° | 46.1° |
| S16 | C17 | C18 | C24 | 118.2° | 118.3° |
| S16 | C17 | C18 | H17 | 120.8° | 123.5° |
| S16 | C17 | C18 | N19 | 142.0° | 92.3° |
| C17 | S16 | C2 | C3 | 85.9° | 114.1° |
| S16 | C17 | C24 | H17 | 121.0° | 123.4° |
| S16 | C17 | C24 | N23 | 139.6° | 92.4° |
| S16 | C17 | C18 | H18 | 98.0° | 148.7° |
| S16 | C17 | C18 | H18A | 19.3° | 26.6° |
| S16 | C17 | C24 | H24 | 19.6° | 26.4° |
| S16 | C17 | C24 | H24A | 97.6° | 148.7° |
| C17 | C18 | N19 | H18 | 120.0° | 119.0° |
| C17 | C18 | N19 | H18A | 122.7° | 118.9° |
| C18 | C17 | C24 | H17 | 123.0° | 118.2° |
| C17 | C18 | N19 | C20 | 164.9° | 163.0° |
| C17 | C18 | N19 | N23 | 15.1° | 17.0° |
| C18 | C17 | C24 | N23 | 23.5° | 26.0° |
| C17 | C18 | H18 | H18A | 123.0° | 122.2° |
| C18 | C17 | C24 | H24 | 96.4° | 144.8° |
| C18 | C17 | C24 | H24A | 146.3° | 92.9° |
| N19 | C18 | C17 | C24 | 23.8° | 26.0° |
| C18 | N19 | C20 | N23 | 180.0° | 180.0° |
| C18 | N19 | C20 | N21 | 180.0° | 180.0° |
| C18 | N19 | N23 | C24 | 0.2° | 0.0° |
| C18 | N19 | N23 | C22 | 180.0° | 180.0° |
| N19 | C18 | C17 | H17 | 97.2° | 144.2° |
| N19 | C18 | H18 | H18A | 123.0° | 122.2° |
| C18 | N19 | C20 | H20 | 0.0° | 0.0° |
| O14 | C7 | C6 | H6 | 3.0° | 6.7° |
| C5 | N4 | C3 | C2 | 7.7° | 0.0° |
| C5 | N4 | C3 | HN4 | 120.0° | 179.9° |
| C5 | N4 | C3 | C11 | 172.4° | 180.0° |
| N4 | C5 | C1 | H1 | 106.6° | 118.8° |
| N4 | C5 | C6 | H6 | 104.4° | 168.2° |
| C2 | C3 | N4 | C11 | 179.9° | 180.0° |
| C2 | C3 | C11 | O12 | 39.1° | 174.6° |
| C2 | C3 | C11 | O13 | 140.5° | 5.4° |
| C3 | C2 | C1 | H1 | 104.7° | 118.8° |
| C2 | C3 | N4 | HN4 | 127.7° | 179.9° |
| C17 | C24 | N23 | N19 | 14.9° | 17.0° |
| C17 | C24 | N23 | H24 | 120.0° | 118.8° |
| C17 | C24 | N23 | H24A | 122.8° | 118.9° |
| C17 | C24 | N23 | C22 | 164.9° | 163.1° |
| C24 | C17 | C18 | H18 | 143.8° | 93.0° |
| C24 | C17 | C18 | H18A | 98.9° | 144.9° |
| C17 | C24 | H24 | H24A | 123.2° | 122.2° |
| N19 | C20 | N21 | H20 | 180.0° | 180.0° |
| C20 | N19 | N23 | C24 | 179.8° | 180.0° |
| C20 | N19 | N23 | C22 | 0.1° | 0.0° |
| N19 | C20 | N21 | C22 | 0.0° | 0.0° |
| C20 | N19 | C18 | H18 | 44.9° | 78.0° |
| C20 | N19 | C18 | H18A | 72.4° | 44.1° |
| N23 | N19 | C20 | N21 | 0.0° | 0.0° |
| N19 | N23 | C24 | C22 | 179.8° | 179.9° |
| N19 | N23 | C22 | N21 | 0.1° | 0.1° |
| N23 | N19 | C18 | H18 | 135.1° | 102.0° |
| N23 | N19 | C18 | H18A | 107.6° | 135.9° |
| N23 | N19 | C20 | H20 | 179.9° | 180.0° |
| N19 | N23 | C22 | H22 | 179.9° | 180.0° |
| N19 | N23 | C24 | H24 | 105.1° | 135.8° |
| N19 | N23 | C24 | H24A | 137.6° | 101.9° |
| C20 | N21 | C22 | N23 | 0.0° | 0.1° |
| C20 | N21 | C22 | H22 | 179.9° | 180.0° |
| N4 | C3 | C11 | O12 | 141.0° | 5.4° |
| N4 | C3 | C11 | O13 | 39.4° | 174.6° |
| C3 | N4 | C5 | H5 | 136.2° | 118.8° |
| C3 | C11 | O12 | O13 | 179.5° | 180.0° |
| C11 | C3 | N4 | HN4 | 52.4° | 0.0° |
| C24 | N23 | C22 | N21 | 179.7° | 180.0° |
| N23 | C24 | C17 | H17 | 99.5° | 144.2° |
| C24 | N23 | C22 | H22 | 0.3° | 0.1° |
| N23 | C24 | H24 | H24A | 123.2° | 122.2° |
| N23 | C22 | N21 | H22 | 180.0° | 179.9° |
| C22 | N23 | C24 | H24 | 75.1° | 44.2° |
| C22 | N23 | C24 | H24A | 42.1° | 78.0° |
| C22 | N21 | C20 | H20 | 180.0° | 180.0° |
| H1 | C1 | C5 | H5 | 17.8° | 0.1° |
| H1 | C1 | C10 | H10 | 8.5° | 168.9° |
| H1 | C1 | C10 | H10A | 111.5° | 49.0° |
| H1 | C1 | C10 | H10B | 128.5° | 71.0° |
| H5 | C5 | C6 | H6 | 131.5° | 69.3° |
| H5 | C5 | N4 | HN4 | 103.7° | 61.1° |
| H6 | C6 | C7 | H7 | 177.0° | 173.3° |
| H6 | C6 | C8 | H8 | 167.3° | 59.9° |
| H8 | C8 | C9 | H9 | 124.8° | 60.0° |
| H8 | C8 | C9 | H9A | 4.8° | 60.0° |
| H8 | C8 | C9 | H9B | 115.3° | 180.0° |
| H8 | C8 | O15 | HO15 | 43.9° | 60.0° |
| H17 | C17 | C18 | H18 | 22.8° | 25.3° |
| H17 | C17 | C18 | H18A | 140.1° | 96.9° |
| H17 | C17 | C24 | H24 | 140.6° | 96.9° |
| H17 | C17 | C24 | H24A | 23.3° | 25.3° |
| H9 | C9 | H9A | H9B | 120.0° | 119.9° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
