BMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | S05 | sing | 1.81Å | 1.70Å | |
| O08 | S05 | doub | 1.42Å | 1.42Å | |
| S05 | O07 | doub | 1.42Å | 1.41Å | |
| S05 | N04 | sing | 1.66Å | 1.67Å | |
| N04 | C03 | sing | 1.40Å | 1.47Å | |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C02 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.50Å | |
| O21 | C17 | doub | 1.21Å | 1.18Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | O18 | sing | 1.45Å | 1.44Å | |
| C22 | C11 | sing | 1.41Å | 1.46Å | Aromatic |
| C22 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | N12 | doub | 1.32Å | 1.35Å | Aromatic |
| C17 | O18 | sing | 1.35Å | 1.39Å | |
| C17 | N16 | sing | 1.35Å | 1.43Å | |
| C15 | N16 | sing | 1.39Å | 1.45Å | |
| C15 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| N12 | N13 | sing | 1.40Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.37Å | 1.40Å | Aromatic |
| N13 | C25 | sing | 1.35Å | 1.41Å | Aromatic |
| C14 | N23 | doub | 1.32Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.46Å | |
| C25 | N24 | doub | 1.31Å | 1.36Å | Aromatic |
| N23 | N24 | sing | 1.29Å | 1.35Å | Aromatic |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| N04 | H12 | sing | 0.97Å | 1.00Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | S05 | O08 | 107.9° | 110.6° |
| C06 | S05 | O07 | 110.0° | 110.5° |
| C06 | S05 | N04 | 106.2° | 104.4° |
| S05 | C06 | H13 | 109.5° | 109.4° |
| S05 | C06 | H14 | 109.5° | 109.5° |
| S05 | C06 | H15 | 109.5° | 109.5° |
| O08 | S05 | O07 | 118.6° | 121.0° |
| O08 | S05 | N04 | 108.5° | 104.3° |
| O07 | S05 | N04 | 104.9° | 104.3° |
| S05 | N04 | C03 | 126.7° | 120.0° |
| S05 | N04 | H12 | 105.0° | 120.0° |
| N04 | C03 | C02 | 120.5° | 120.0° |
| N04 | C03 | C09 | 120.0° | 120.0° |
| C03 | N04 | H12 | 105.0° | 120.0° |
| C01 | C02 | C03 | 122.9° | 119.9° |
| C01 | C02 | C28 | 119.4° | 119.9° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C03 | C09 | 119.5° | 120.0° |
| C03 | C02 | C28 | 117.7° | 120.2° |
| C03 | C09 | C10 | 123.1° | 119.8° |
| C03 | C09 | H16 | 118.5° | 120.2° |
| C02 | C28 | C27 | 122.3° | 120.2° |
| C02 | C28 | H8 | 118.8° | 119.9° |
| C09 | C10 | C27 | 116.4° | 119.8° |
| C09 | C10 | C11 | 123.4° | 120.1° |
| C10 | C09 | H16 | 118.4° | 120.1° |
| C28 | C27 | C10 | 121.0° | 120.1° |
| C27 | C28 | H8 | 118.8° | 119.9° |
| C28 | C27 | H20 | 119.5° | 120.0° |
| C27 | C10 | C11 | 120.2° | 120.1° |
| C10 | C27 | H20 | 119.5° | 120.0° |
| C10 | C11 | C22 | 123.8° | 119.6° |
| C10 | C11 | N12 | 116.0° | 119.6° |
| O21 | C17 | O18 | 126.2° | 120.1° |
| O21 | C17 | N16 | 126.1° | 120.0° |
| C20 | C19 | O18 | 111.1° | 109.5° |
| C19 | C20 | H1 | 109.5° | 109.4° |
| C19 | C20 | H2 | 109.5° | 109.5° |
| C19 | C20 | H3 | 109.5° | 109.5° |
| C20 | C19 | H18 | 109.1° | 109.4° |
| C20 | C19 | H19 | 109.0° | 109.5° |
| C19 | O18 | C17 | 111.5° | 116.9° |
| O18 | C19 | H18 | 109.1° | 109.5° |
| O18 | C19 | H19 | 109.1° | 109.5° |
| C11 | C22 | C15 | 121.8° | 120.0° |
| C22 | C11 | N12 | 120.1° | 120.9° |
| C11 | C22 | H4 | 119.1° | 120.0° |
| C22 | C15 | N16 | 124.4° | 120.5° |
| C22 | C15 | C14 | 118.3° | 119.0° |
| C15 | C22 | H4 | 119.1° | 120.0° |
| C11 | N12 | N13 | 115.7° | 120.6° |
| O18 | C17 | N16 | 107.8° | 120.0° |
| C17 | N16 | C15 | 122.4° | 120.0° |
| C17 | N16 | H17 | 118.8° | 120.0° |
| N16 | C15 | C14 | 117.3° | 120.5° |
| C15 | N16 | H17 | 118.8° | 120.0° |
| C15 | C14 | N13 | 116.3° | 119.4° |
| C15 | C14 | N23 | 136.3° | 133.8° |
| N12 | N13 | C14 | 127.8° | 120.1° |
| N12 | N13 | C25 | 125.2° | 133.8° |
| C14 | N13 | C25 | 106.9° | 106.1° |
| N13 | C14 | N23 | 107.4° | 106.8° |
| N13 | C25 | C26 | 121.4° | 126.2° |
| N13 | C25 | N24 | 107.2° | 107.6° |
| C14 | N23 | N24 | 108.7° | 109.3° |
| C26 | C25 | N24 | 131.3° | 126.2° |
| C25 | C26 | H5 | 109.5° | 109.5° |
| C25 | C26 | H6 | 109.5° | 109.5° |
| C25 | C26 | H7 | 109.5° | 109.5° |
| C25 | N24 | N23 | 109.8° | 110.2° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H5 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.4° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H13 | C06 | H14 | 109.5° | 109.5° |
| H13 | C06 | H15 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | S05 | O08 | O07 | 125.9° | 131.5° |
| C06 | S05 | O08 | N04 | 114.7° | 111.7° |
| C06 | S05 | O07 | N04 | 113.9° | 111.7° |
| C06 | S05 | N04 | C03 | 170.7° | 59.8° |
| C06 | S05 | N04 | H12 | 67.1° | 120.1° |
| S05 | C06 | H13 | H14 | 120.0° | 120.0° |
| S05 | C06 | H13 | H15 | 120.0° | 120.0° |
| S05 | C06 | H14 | H15 | 120.0° | 120.0° |
| O08 | S05 | O07 | N04 | 121.3° | 116.8° |
| O08 | S05 | N04 | C03 | 73.5° | 56.2° |
| O08 | S05 | N04 | H12 | 48.8° | 123.8° |
| O08 | S05 | C06 | H13 | 180.0° | 68.4° |
| O08 | S05 | C06 | H14 | 60.0° | 51.6° |
| O08 | S05 | C06 | H15 | 60.0° | 171.7° |
| O07 | S05 | N04 | C03 | 54.1° | 175.9° |
| O07 | S05 | N04 | H12 | 176.4° | 4.1° |
| O07 | S05 | C06 | H13 | 49.2° | 68.4° |
| O07 | S05 | C06 | H14 | 169.2° | 171.6° |
| O07 | S05 | C06 | H15 | 70.8° | 51.6° |
| S05 | N04 | C03 | H12 | 122.3° | 180.0° |
| S05 | N04 | C03 | C02 | 114.4° | 144.3° |
| S05 | N04 | C03 | C09 | 65.8° | 35.5° |
| N04 | S05 | C06 | H13 | 63.8° | 180.0° |
| N04 | S05 | C06 | H14 | 56.2° | 60.0° |
| N04 | S05 | C06 | H15 | 176.2° | 60.0° |
| N04 | C03 | C02 | C01 | 0.2° | 0.0° |
| N04 | C03 | C02 | C09 | 179.9° | 179.8° |
| N04 | C03 | C02 | C28 | 179.9° | 179.5° |
| N04 | C03 | C09 | C10 | 179.7° | 179.7° |
| N04 | C03 | C09 | H16 | 0.3° | 0.3° |
| C01 | C02 | C03 | C28 | 179.8° | 179.5° |
| C01 | C02 | C03 | C09 | 180.0° | 179.8° |
| C01 | C02 | C28 | C27 | 179.9° | 180.0° |
| C01 | C02 | C28 | H8 | 0.1° | 0.0° |
| C02 | C01 | H9 | H10 | 120.0° | 119.9° |
| C02 | C01 | H9 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C03 | C09 | C10 | 0.5° | 0.5° |
| C03 | C02 | C28 | C27 | 0.3° | 0.5° |
| C03 | C02 | C28 | H8 | 179.7° | 179.5° |
| C03 | C02 | C01 | H9 | 90.1° | 89.4° |
| C03 | C02 | C01 | H10 | 149.8° | 30.5° |
| C03 | C02 | C01 | H11 | 29.9° | 150.5° |
| C02 | C03 | N04 | H12 | 7.9° | 35.7° |
| C02 | C03 | C09 | H16 | 179.5° | 179.4° |
| C09 | C03 | C02 | C28 | 0.2° | 0.8° |
| C03 | C09 | C10 | H16 | 180.0° | 179.9° |
| C03 | C09 | C10 | C27 | 0.8° | 0.0° |
| C03 | C09 | C10 | C11 | 179.3° | 179.7° |
| C09 | C03 | N04 | H12 | 171.9° | 144.5° |
| C02 | C28 | C27 | H8 | 180.0° | 180.0° |
| C02 | C28 | C27 | C10 | 0.7° | 0.0° |
| C28 | C02 | C01 | H9 | 90.1° | 90.0° |
| C28 | C02 | C01 | H10 | 29.9° | 150.0° |
| C28 | C02 | C01 | H11 | 149.9° | 30.0° |
| C02 | C28 | C27 | H20 | 179.3° | 180.0° |
| C09 | C10 | C27 | C28 | 0.9° | 0.3° |
| C09 | C10 | C27 | C11 | 178.5° | 179.7° |
| C09 | C10 | C11 | C22 | 17.2° | 179.7° |
| C09 | C10 | C11 | N12 | 161.6° | 0.3° |
| C09 | C10 | C27 | H20 | 179.0° | 179.7° |
| C28 | C27 | C10 | H20 | 180.0° | 180.0° |
| C28 | C27 | C10 | C11 | 179.5° | 180.0° |
| C27 | C10 | C11 | C22 | 164.4° | 0.0° |
| C27 | C10 | C11 | N12 | 16.9° | 180.0° |
| C10 | C27 | C28 | H8 | 179.3° | 180.0° |
| C27 | C10 | C09 | H16 | 179.2° | 180.0° |
| C10 | C11 | C22 | N12 | 178.7° | 180.0° |
| C10 | C11 | C22 | C15 | 179.4° | 180.0° |
| C10 | C11 | N12 | N13 | 179.3° | 180.0° |
| C10 | C11 | C22 | H4 | 0.6° | 0.1° |
| C11 | C10 | C09 | H16 | 0.7° | 0.3° |
| C11 | C10 | C27 | H20 | 0.5° | 0.0° |
| O21 | C17 | O18 | C19 | 14.5° | 0.0° |
| O21 | C17 | O18 | N16 | 179.8° | 180.0° |
| O21 | C17 | N16 | C15 | 1.3° | 5.1° |
| O21 | C17 | N16 | H17 | 178.7° | 175.0° |
| C20 | C19 | O18 | H18 | 120.2° | 119.9° |
| C20 | C19 | O18 | H19 | 120.2° | 120.1° |
| C20 | C19 | O18 | C17 | 87.9° | 180.0° |
| C19 | C20 | H1 | H2 | 120.0° | 120.0° |
| C19 | C20 | H1 | H3 | 120.0° | 120.0° |
| C19 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C19 | H18 | H19 | 119.3° | 120.0° |
| C19 | O18 | C17 | N16 | 165.7° | 180.0° |
| O18 | C19 | C20 | H1 | 180.0° | 60.1° |
| O18 | C19 | C20 | H2 | 60.0° | 180.0° |
| O18 | C19 | C20 | H3 | 60.0° | 60.0° |
| O18 | C19 | H18 | H19 | 119.3° | 120.0° |
| C11 | C22 | C15 | H4 | 180.0° | 179.9° |
| C11 | C22 | C15 | N16 | 179.5° | 180.0° |
| C11 | C22 | C15 | C14 | 0.3° | 0.1° |
| C22 | C11 | N12 | N13 | 0.5° | 0.0° |
| C15 | C22 | C11 | N12 | 0.7° | 0.1° |
| C22 | C15 | N16 | C17 | 21.0° | 122.6° |
| C22 | C15 | N16 | C14 | 179.8° | 179.9° |
| C22 | C15 | C14 | N13 | 0.2° | 0.1° |
| C22 | C15 | C14 | N23 | 179.8° | 180.0° |
| C22 | C15 | N16 | H17 | 159.0° | 57.5° |
| C11 | N12 | N13 | C14 | 0.1° | 0.0° |
| C11 | N12 | N13 | C25 | 179.6° | 180.0° |
| N12 | C11 | C22 | H4 | 179.3° | 180.0° |
| O18 | C17 | N16 | C15 | 178.9° | 174.9° |
| O18 | C17 | N16 | H17 | 1.1° | 5.1° |
| C17 | O18 | C19 | H18 | 151.8° | 60.0° |
| C17 | O18 | C19 | H19 | 32.3° | 60.0° |
| C17 | N16 | C15 | H17 | 180.0° | 179.9° |
| C17 | N16 | C15 | C14 | 159.2° | 57.5° |
| N16 | C15 | C14 | N13 | 179.9° | 180.0° |
| N16 | C15 | C14 | N23 | 0.4° | 0.1° |
| N16 | C15 | C22 | H4 | 0.5° | 0.1° |
| C15 | C14 | N13 | N12 | 0.5° | 0.0° |
| C15 | C14 | N13 | N23 | 179.6° | 179.9° |
| C15 | C14 | N13 | C25 | 179.9° | 180.0° |
| C15 | C14 | N23 | N24 | 179.8° | 180.0° |
| C14 | C15 | C22 | H4 | 179.7° | 180.0° |
| C14 | C15 | N16 | H17 | 20.8° | 122.4° |
| N12 | N13 | C14 | C25 | 179.6° | 180.0° |
| N12 | N13 | C14 | N23 | 179.9° | 179.9° |
| N12 | N13 | C25 | C26 | 0.0° | 0.1° |
| N12 | N13 | C25 | N24 | 179.8° | 180.0° |
| C14 | N13 | C25 | C26 | 179.6° | 180.0° |
| C14 | N13 | C25 | N24 | 0.2° | 0.0° |
| N13 | C14 | N23 | N24 | 0.3° | 0.1° |
| C25 | N13 | C14 | N23 | 0.3° | 0.0° |
| N13 | C25 | C26 | N24 | 179.7° | 180.0° |
| N13 | C25 | N24 | N23 | 0.0° | 0.1° |
| N13 | C25 | C26 | H5 | 179.7° | 90.0° |
| N13 | C25 | C26 | H6 | 59.7° | 150.0° |
| N13 | C25 | C26 | H7 | 60.3° | 30.0° |
| C14 | N23 | N24 | C25 | 0.2° | 0.1° |
| C26 | C25 | N24 | N23 | 179.8° | 180.0° |
| C25 | C26 | H5 | H6 | 120.0° | 120.0° |
| C25 | C26 | H5 | H7 | 120.0° | 120.0° |
| C25 | C26 | H6 | H7 | 120.0° | 120.0° |
| N24 | C25 | C26 | H5 | 0.0° | 90.0° |
| N24 | C25 | C26 | H6 | 120.0° | 30.0° |
| N24 | C25 | C26 | H7 | 120.0° | 149.9° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H1 | C20 | C19 | H18 | 59.8° | 180.0° |
| H1 | C20 | C19 | H19 | 59.8° | 60.0° |
| H2 | C20 | C19 | H18 | 60.2° | 60.0° |
| H2 | C20 | C19 | H19 | 179.8° | 60.0° |
| H3 | C20 | C19 | H18 | 179.8° | 60.0° |
| H3 | C20 | C19 | H19 | 60.3° | 180.0° |
| H5 | C26 | H6 | H7 | 120.0° | 120.0° |
| H8 | C28 | C27 | H20 | 0.7° | 0.0° |
| H9 | C01 | H10 | H11 | 120.0° | 120.0° |
| H13 | C06 | H14 | H15 | 120.0° | 120.0° |
