C7B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C16 | doub | 1.21Å | 1.22Å | |
| O03 | C15 | doub | 1.21Å | 1.23Å | |
| C16 | C18 | sing | 1.51Å | 1.52Å | |
| C16 | N08 | sing | 1.35Å | 1.33Å | |
| C15 | C17 | sing | 1.51Å | 1.52Å | |
| C15 | N07 | sing | 1.35Å | 1.34Å | |
| C10 | N08 | sing | 1.46Å | 1.43Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C17 | O05 | sing | 1.43Å | 1.43Å | |
| C18 | O06 | sing | 1.43Å | 1.44Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | C09 | sing | 1.53Å | 1.51Å | |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C09 | sing | 1.53Å | 1.51Å | |
| O06 | C20 | sing | 1.36Å | 1.43Å | |
| N07 | C09 | sing | 1.46Å | 1.46Å | |
| O05 | C19 | sing | 1.36Å | 1.43Å | |
| C20 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C23 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C24 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | CL2 | sing | 1.74Å | 1.73Å | |
| C29 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | CL1 | sing | 1.74Å | 1.74Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C27 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| N08 | H18 | sing | 0.97Å | 1.00Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C16 | C18 | 120.5° | 120.0° |
| O04 | C16 | N08 | 125.6° | 120.0° |
| O03 | C15 | C17 | 121.2° | 120.0° |
| O03 | C15 | N07 | 124.0° | 120.0° |
| C18 | C16 | N08 | 113.8° | 120.0° |
| C16 | C18 | O06 | 116.2° | 109.5° |
| C16 | C18 | H19 | 107.8° | 109.5° |
| C16 | C18 | H20 | 107.7° | 109.4° |
| C16 | N08 | C10 | 124.2° | 120.0° |
| C16 | N08 | H18 | 117.9° | 120.0° |
| C17 | C15 | N07 | 114.8° | 120.0° |
| C15 | C17 | O05 | 110.7° | 109.5° |
| C15 | C17 | H8 | 109.2° | 109.5° |
| C15 | C17 | H9 | 109.2° | 109.5° |
| C15 | N07 | C09 | 125.8° | 120.0° |
| C15 | N07 | H10 | 117.1° | 120.0° |
| N08 | C10 | C12 | 110.4° | 109.5° |
| N08 | C10 | C11 | 109.0° | 109.5° |
| N08 | C10 | H3 | 109.4° | 109.5° |
| C10 | N08 | H18 | 117.9° | 120.0° |
| C12 | C10 | C11 | 111.2° | 109.5° |
| C10 | C12 | C14 | 110.1° | 109.5° |
| C10 | C12 | H1 | 109.3° | 109.5° |
| C10 | C12 | H2 | 109.3° | 109.5° |
| C12 | C10 | H3 | 108.3° | 109.4° |
| C10 | C11 | C13 | 108.0° | 109.5° |
| C11 | C10 | H3 | 108.5° | 109.5° |
| C10 | C11 | H16 | 109.8° | 109.5° |
| C10 | C11 | H17 | 109.8° | 109.5° |
| C17 | O05 | C19 | 118.7° | 117.0° |
| O05 | C17 | H8 | 109.2° | 109.5° |
| O05 | C17 | H9 | 109.2° | 109.4° |
| C18 | O06 | C20 | 118.0° | 117.0° |
| O06 | C18 | H19 | 107.7° | 109.5° |
| O06 | C18 | H20 | 107.8° | 109.5° |
| C12 | C14 | C09 | 109.0° | 109.5° |
| C14 | C12 | H1 | 109.3° | 109.5° |
| C14 | C12 | H2 | 109.3° | 109.4° |
| C12 | C14 | H12 | 109.6° | 109.4° |
| C12 | C14 | H13 | 109.6° | 109.5° |
| C14 | C09 | C13 | 110.9° | 109.4° |
| C14 | C09 | N07 | 111.2° | 109.4° |
| C14 | C09 | H11 | 107.7° | 109.4° |
| C09 | C14 | H12 | 109.6° | 109.5° |
| C09 | C14 | H13 | 109.6° | 109.5° |
| C11 | C13 | C09 | 108.5° | 109.5° |
| C11 | C13 | H14 | 109.7° | 109.5° |
| C11 | C13 | H15 | 109.7° | 109.4° |
| C13 | C11 | H16 | 109.8° | 109.5° |
| C13 | C11 | H17 | 109.8° | 109.5° |
| C13 | C09 | N07 | 110.8° | 109.5° |
| C13 | C09 | H11 | 107.7° | 109.5° |
| C09 | C13 | H14 | 109.7° | 109.5° |
| C09 | C13 | H15 | 109.7° | 109.4° |
| O06 | C20 | C24 | 117.6° | 120.1° |
| O06 | C20 | C22 | 122.0° | 120.0° |
| C09 | N07 | H10 | 117.1° | 120.0° |
| N07 | C09 | H11 | 108.4° | 109.5° |
| O05 | C19 | C23 | 123.2° | 120.1° |
| O05 | C19 | C21 | 116.5° | 120.0° |
| C24 | C20 | C22 | 120.4° | 119.9° |
| C20 | C24 | C28 | 119.8° | 120.0° |
| C20 | C24 | H24 | 120.1° | 120.0° |
| C20 | C22 | C26 | 119.7° | 119.9° |
| C20 | C22 | H21 | 120.1° | 120.0° |
| C19 | C23 | C27 | 119.8° | 119.9° |
| C23 | C19 | C21 | 120.3° | 120.0° |
| C19 | C23 | H7 | 120.1° | 120.0° |
| C23 | C27 | C29 | 119.4° | 120.1° |
| C23 | C27 | H6 | 120.3° | 120.0° |
| C27 | C23 | H7 | 120.1° | 120.0° |
| C19 | C21 | C25 | 119.9° | 119.9° |
| C19 | C21 | H4 | 120.1° | 120.1° |
| C24 | C28 | C30 | 119.6° | 120.1° |
| C24 | C28 | H23 | 120.2° | 120.0° |
| C28 | C24 | H24 | 120.1° | 120.0° |
| C22 | C26 | C30 | 119.2° | 120.1° |
| C26 | C22 | H21 | 120.1° | 120.0° |
| C22 | C26 | H22 | 120.4° | 119.9° |
| C27 | C29 | C25 | 121.2° | 120.1° |
| C27 | C29 | CL1 | 119.2° | 119.9° |
| C29 | C27 | H6 | 120.3° | 119.9° |
| C28 | C30 | C26 | 121.3° | 120.0° |
| C28 | C30 | CL2 | 119.0° | 120.0° |
| C30 | C28 | H23 | 120.2° | 119.9° |
| C21 | C25 | C29 | 119.4° | 120.0° |
| C25 | C21 | H4 | 120.0° | 120.0° |
| C21 | C25 | H5 | 120.3° | 120.0° |
| C26 | C30 | CL2 | 119.6° | 120.0° |
| C30 | C26 | H22 | 120.4° | 120.0° |
| C25 | C29 | CL1 | 119.5° | 119.9° |
| C29 | C25 | H5 | 120.3° | 120.0° |
| H1 | C12 | H2 | 109.4° | 109.4° |
| H8 | C17 | H9 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C16 | C18 | N08 | 177.4° | 180.0° |
| O04 | C16 | N08 | C10 | 10.4° | 0.0° |
| O04 | C16 | C18 | O06 | 83.3° | 0.1° |
| O04 | C16 | N08 | H18 | 169.6° | 179.9° |
| O04 | C16 | C18 | H19 | 37.7° | 120.0° |
| O04 | C16 | C18 | H20 | 155.7° | 120.0° |
| O03 | C15 | C17 | N07 | 179.4° | 179.9° |
| O03 | C15 | C17 | O05 | 155.9° | 0.0° |
| O03 | C15 | N07 | C09 | 17.7° | 0.1° |
| O03 | C15 | C17 | H8 | 83.9° | 120.0° |
| O03 | C15 | C17 | H9 | 35.7° | 119.9° |
| O03 | C15 | N07 | H10 | 162.3° | 180.0° |
| C18 | C16 | N08 | C10 | 172.3° | 179.9° |
| C16 | C18 | O06 | H19 | 121.0° | 120.0° |
| C16 | C18 | O06 | H20 | 121.0° | 119.9° |
| C16 | C18 | O06 | C20 | 160.6° | 180.0° |
| C18 | C16 | N08 | H18 | 7.7° | 0.1° |
| C16 | C18 | H19 | H20 | 116.9° | 120.0° |
| C16 | N08 | C10 | H18 | 180.0° | 179.9° |
| C16 | N08 | C10 | C12 | 69.2° | 155.0° |
| C16 | N08 | C10 | C11 | 168.4° | 85.0° |
| N08 | C16 | C18 | O06 | 99.3° | 180.0° |
| C16 | N08 | C10 | H3 | 49.8° | 35.1° |
| N08 | C16 | C18 | H19 | 139.7° | 60.0° |
| N08 | C16 | C18 | H20 | 21.7° | 60.0° |
| C15 | C17 | O05 | H8 | 120.2° | 120.0° |
| C15 | C17 | O05 | H9 | 120.2° | 120.0° |
| C17 | C15 | N07 | C09 | 163.0° | 180.0° |
| C15 | C17 | O05 | C19 | 154.4° | 180.0° |
| C15 | C17 | H8 | H9 | 119.5° | 120.0° |
| C17 | C15 | N07 | H10 | 17.0° | 0.1° |
| N07 | C15 | C17 | O05 | 23.5° | 180.0° |
| C15 | N07 | C09 | C14 | 76.2° | 155.0° |
| C15 | N07 | C09 | C13 | 47.7° | 85.1° |
| C15 | N07 | C09 | H10 | 180.0° | 179.9° |
| N07 | C15 | C17 | H8 | 96.7° | 60.0° |
| N07 | C15 | C17 | H9 | 143.6° | 60.0° |
| C15 | N07 | C09 | H11 | 165.6° | 35.0° |
| N08 | C10 | C12 | C11 | 121.1° | 120.0° |
| N08 | C10 | C12 | H3 | 119.8° | 120.0° |
| N08 | C10 | C11 | H3 | 119.1° | 120.1° |
| N08 | C10 | C12 | C14 | 179.4° | 180.0° |
| N08 | C10 | C11 | C13 | 176.9° | 180.0° |
| N08 | C10 | C12 | H1 | 60.4° | 59.9° |
| N08 | C10 | C12 | H2 | 59.4° | 60.0° |
| N08 | C10 | C11 | H16 | 63.4° | 60.0° |
| N08 | C10 | C11 | H17 | 57.1° | 60.0° |
| C12 | C10 | C11 | H3 | 119.0° | 119.9° |
| C10 | C12 | C14 | H1 | 120.1° | 120.0° |
| C10 | C12 | C14 | H2 | 120.1° | 120.0° |
| C10 | C12 | C14 | C09 | 55.3° | 60.0° |
| C12 | C10 | C11 | C13 | 61.2° | 60.0° |
| C10 | C12 | H1 | H2 | 119.7° | 120.0° |
| C10 | C12 | C14 | H12 | 64.6° | 60.0° |
| C10 | C12 | C14 | H13 | 175.2° | 180.0° |
| C12 | C10 | C11 | H16 | 58.6° | 60.0° |
| C12 | C10 | C11 | H17 | 179.0° | 180.0° |
| C12 | C10 | N08 | H18 | 110.8° | 25.1° |
| C11 | C10 | C12 | C14 | 58.3° | 60.0° |
| C10 | C11 | C13 | H16 | 119.7° | 120.0° |
| C10 | C11 | C13 | H17 | 119.8° | 120.0° |
| C10 | C11 | C13 | C09 | 62.0° | 60.1° |
| C11 | C10 | C12 | H1 | 178.5° | 180.0° |
| C11 | C10 | C12 | H2 | 61.7° | 60.0° |
| C10 | C11 | C13 | H14 | 178.1° | 60.0° |
| C10 | C11 | C13 | H15 | 57.8° | 180.0° |
| C10 | C11 | H16 | H17 | 120.7° | 120.0° |
| C11 | C10 | N08 | H18 | 11.6° | 94.9° |
| C17 | O05 | C19 | C23 | 17.9° | 180.0° |
| C17 | O05 | C19 | C21 | 160.8° | 0.6° |
| O05 | C17 | H8 | H9 | 119.4° | 120.0° |
| C18 | O06 | C20 | C24 | 149.1° | 180.0° |
| C18 | O06 | C20 | C22 | 30.8° | 0.3° |
| O06 | C18 | H19 | H20 | 117.0° | 120.0° |
| C12 | C14 | C09 | H12 | 119.9° | 120.0° |
| C12 | C14 | C09 | H13 | 119.9° | 120.0° |
| C12 | C14 | C09 | C13 | 58.2° | 60.0° |
| C12 | C14 | C09 | N07 | 178.0° | 180.0° |
| C14 | C12 | H1 | H2 | 119.7° | 119.9° |
| C14 | C12 | C10 | H3 | 60.8° | 60.0° |
| C12 | C14 | C09 | H11 | 59.4° | 60.1° |
| C12 | C14 | H12 | H13 | 120.2° | 120.0° |
| C14 | C09 | C13 | C11 | 62.1° | 60.0° |
| C14 | C09 | C13 | N07 | 124.0° | 120.0° |
| C14 | C09 | C13 | H11 | 117.7° | 120.0° |
| C14 | C09 | N07 | H11 | 118.2° | 120.0° |
| C09 | C14 | C12 | H1 | 175.4° | 180.0° |
| C09 | C14 | C12 | H2 | 64.8° | 60.1° |
| C14 | C09 | N07 | H10 | 103.8° | 25.0° |
| C09 | C14 | H12 | H13 | 120.2° | 120.0° |
| C14 | C09 | C13 | H14 | 178.1° | 60.0° |
| C14 | C09 | C13 | H15 | 57.8° | 180.0° |
| C11 | C13 | C09 | H14 | 119.9° | 120.0° |
| C11 | C13 | C09 | H15 | 119.9° | 119.9° |
| C11 | C13 | C09 | N07 | 174.0° | 180.0° |
| C13 | C11 | C10 | H3 | 57.8° | 59.9° |
| C11 | C13 | C09 | H11 | 55.6° | 60.0° |
| C11 | C13 | H14 | H15 | 120.4° | 120.0° |
| C13 | C11 | H16 | H17 | 120.7° | 120.0° |
| C13 | C09 | N07 | H11 | 118.0° | 120.1° |
| C13 | C09 | N07 | H10 | 132.3° | 95.0° |
| C13 | C09 | C14 | H12 | 61.7° | 60.0° |
| C13 | C09 | C14 | H13 | 178.2° | 180.0° |
| C09 | C13 | H14 | H15 | 120.4° | 120.0° |
| C09 | C13 | C11 | H16 | 57.7° | 60.0° |
| C09 | C13 | C11 | H17 | 178.2° | 180.0° |
| O06 | C20 | C24 | C22 | 179.8° | 179.7° |
| O06 | C20 | C24 | C28 | 179.2° | 179.7° |
| O06 | C20 | C22 | C26 | 179.3° | 180.0° |
| C20 | O06 | C18 | H19 | 78.5° | 60.0° |
| C20 | O06 | C18 | H20 | 39.6° | 60.0° |
| O06 | C20 | C22 | H21 | 0.7° | 0.0° |
| O06 | C20 | C24 | H24 | 0.7° | 0.1° |
| N07 | C09 | C14 | H12 | 62.1° | 60.0° |
| N07 | C09 | C14 | H13 | 58.1° | 60.0° |
| N07 | C09 | C13 | H14 | 54.1° | 59.9° |
| N07 | C09 | C13 | H15 | 66.2° | 60.1° |
| O05 | C19 | C23 | C21 | 178.7° | 179.4° |
| O05 | C19 | C23 | C27 | 178.8° | 180.0° |
| O05 | C19 | C21 | C25 | 178.7° | 180.0° |
| O05 | C19 | C21 | H4 | 1.2° | 0.3° |
| O05 | C19 | C23 | H7 | 1.2° | 0.6° |
| C19 | O05 | C17 | H8 | 34.2° | 60.0° |
| C19 | O05 | C17 | H9 | 85.4° | 60.0° |
| C20 | C24 | C28 | H24 | 180.0° | 179.6° |
| C24 | C20 | C22 | C26 | 0.6° | 0.3° |
| C20 | C24 | C28 | C30 | 0.5° | 0.6° |
| C24 | C20 | C22 | H21 | 179.4° | 179.7° |
| C20 | C24 | C28 | H23 | 179.6° | 179.7° |
| C22 | C20 | C24 | C28 | 0.6° | 0.6° |
| C20 | C22 | C26 | H21 | 180.0° | 180.0° |
| C20 | C22 | C26 | C30 | 0.4° | 0.1° |
| C20 | C22 | C26 | H22 | 179.6° | 180.0° |
| C22 | C20 | C24 | H24 | 179.4° | 179.8° |
| C19 | C23 | C27 | H7 | 180.0° | 179.4° |
| C19 | C23 | C27 | C29 | 0.0° | 0.3° |
| C23 | C19 | C21 | C25 | 0.1° | 0.6° |
| C23 | C19 | C21 | H4 | 180.0° | 179.7° |
| C19 | C23 | C27 | H6 | 180.0° | 179.8° |
| C27 | C23 | C19 | C21 | 0.1° | 0.6° |
| C23 | C27 | C29 | H6 | 180.0° | 179.9° |
| C23 | C27 | C29 | C25 | 0.3° | 0.0° |
| C23 | C27 | C29 | CL1 | 179.9° | 180.0° |
| C19 | C21 | C25 | H4 | 180.0° | 179.7° |
| C19 | C21 | C25 | C29 | 0.3° | 0.3° |
| C19 | C21 | C25 | H5 | 179.7° | 179.7° |
| C21 | C19 | C23 | H7 | 179.9° | 180.0° |
| C24 | C28 | C30 | H23 | 180.0° | 179.8° |
| C24 | C28 | C30 | C26 | 0.3° | 0.2° |
| C24 | C28 | C30 | CL2 | 180.0° | 179.7° |
| C22 | C26 | C30 | C28 | 0.3° | 0.1° |
| C22 | C26 | C30 | H22 | 180.0° | 179.9° |
| C22 | C26 | C30 | CL2 | 180.0° | 180.0° |
| C27 | C29 | C25 | C21 | 0.5° | 0.0° |
| C27 | C29 | C25 | CL1 | 179.7° | 180.0° |
| C27 | C29 | C25 | H5 | 179.5° | 180.0° |
| C29 | C27 | C23 | H7 | 180.0° | 179.7° |
| C28 | C30 | C26 | CL2 | 179.7° | 179.9° |
| C28 | C30 | C26 | H22 | 179.7° | 180.0° |
| C30 | C28 | C24 | H24 | 179.6° | 179.8° |
| C21 | C25 | C29 | H5 | 180.0° | 179.9° |
| C21 | C25 | C29 | CL1 | 179.8° | 180.0° |
| C30 | C26 | C22 | H21 | 179.6° | 179.9° |
| C26 | C30 | C28 | H23 | 179.7° | 180.0° |
| CL2 | C30 | C26 | H22 | 0.0° | 0.1° |
| CL2 | C30 | C28 | H23 | 0.0° | 0.1° |
| C29 | C25 | C21 | H4 | 179.7° | 180.0° |
| C25 | C29 | C27 | H6 | 179.7° | 180.0° |
| CL1 | C29 | C25 | H5 | 0.2° | 0.1° |
| CL1 | C29 | C27 | H6 | 0.1° | 0.1° |
| H1 | C12 | C10 | H3 | 59.4° | 60.1° |
| H1 | C12 | C14 | H12 | 55.5° | 60.0° |
| H1 | C12 | C14 | H13 | 64.6° | 60.0° |
| H2 | C12 | C10 | H3 | 179.1° | 180.0° |
| H2 | C12 | C14 | H12 | 175.3° | 179.9° |
| H2 | C12 | C14 | H13 | 55.1° | 60.0° |
| H3 | C10 | C11 | H16 | 177.5° | 180.0° |
| H3 | C10 | C11 | H17 | 62.0° | 60.0° |
| H3 | C10 | N08 | H18 | 130.1° | 145.0° |
| H4 | C21 | C25 | H5 | 0.3° | 0.0° |
| H6 | C27 | C23 | H7 | 0.0° | 0.3° |
| H10 | N07 | C09 | H11 | 14.4° | 144.9° |
| H11 | C09 | C14 | H12 | 179.3° | 180.0° |
| H11 | C09 | C14 | H13 | 60.5° | 59.9° |
| H11 | C09 | C13 | H14 | 64.3° | 180.0° |
| H11 | C09 | C13 | H15 | 175.5° | 60.0° |
| H14 | C13 | C11 | H16 | 62.1° | 179.9° |
| H14 | C13 | C11 | H17 | 58.3° | 60.0° |
| H15 | C13 | C11 | H16 | 177.6° | 60.0° |
| H15 | C13 | C11 | H17 | 61.9° | 60.0° |
| H21 | C22 | C26 | H22 | 0.4° | 0.0° |
| H23 | C28 | C24 | H24 | 0.4° | 0.0° |
