B7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C8 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | N7 | doub | 1.31Å | 1.32Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| C8 | C7 | doub | 1.35Å | 1.37Å | Aromatic |
| N7 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| C7 | N3 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C6 | sing | 1.40Å | 1.42Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| N4 | C11 | sing | 1.47Å | 1.46Å | |
| N2 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C5 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C2 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| N5 | C12 | sing | 1.47Å | 1.47Å | |
| N5 | C13 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C1 | doub | 1.30Å | 1.31Å | |
| C2 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | O3 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.36Å | 1.36Å | |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C | sing | 1.47Å | 1.47Å | |
| N | C | sing | 1.35Å | 1.39Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C21 | N7 | 112.4° | 108.4° |
| C21 | C8 | C9 | 129.0° | 126.0° |
| C21 | C8 | C7 | 104.2° | 107.9° |
| C8 | C21 | H21 | 123.8° | 125.8° |
| C21 | N7 | N3 | 104.0° | 108.2° |
| N7 | C21 | H21 | 123.8° | 125.8° |
| C8 | C9 | C10 | 111.9° | 109.5° |
| C9 | C8 | C7 | 126.9° | 126.1° |
| C8 | C9 | H22 | 108.9° | 109.5° |
| C8 | C9 | H23 | 108.9° | 109.5° |
| C9 | C10 | N4 | 111.8° | 109.5° |
| C9 | C10 | H6 | 108.9° | 109.4° |
| C9 | C10 | H7 | 108.9° | 109.5° |
| C10 | C9 | H22 | 108.8° | 109.4° |
| C10 | C9 | H23 | 108.9° | 109.4° |
| C20 | C19 | N5 | 110.1° | 108.6° |
| C19 | C20 | N4 | 110.0° | 109.3° |
| C20 | C19 | H17 | 109.3° | 109.7° |
| C20 | C19 | H18 | 109.3° | 109.6° |
| C19 | C20 | H19 | 109.3° | 109.5° |
| C19 | C20 | H20 | 109.3° | 109.5° |
| C19 | N5 | C12 | 113.7° | 118.3° |
| C19 | N5 | C13 | 122.5° | 120.9° |
| N5 | C19 | H17 | 109.3° | 109.6° |
| N5 | C19 | H18 | 109.3° | 109.6° |
| C8 | C7 | N3 | 107.4° | 107.6° |
| C8 | C7 | H4 | 126.3° | 126.2° |
| N7 | N3 | C7 | 112.1° | 107.8° |
| N7 | N3 | C6 | 120.1° | 126.1° |
| C20 | N4 | C10 | 111.7° | 111.0° |
| C20 | N4 | C11 | 108.8° | 111.3° |
| N4 | C20 | H19 | 109.3° | 109.6° |
| N4 | C20 | H20 | 109.4° | 109.4° |
| C7 | N3 | C6 | 127.8° | 126.1° |
| N3 | C7 | H4 | 126.3° | 126.2° |
| N3 | C6 | N2 | 114.2° | 120.0° |
| N3 | C6 | C2 | 124.0° | 120.0° |
| C10 | N4 | C11 | 112.0° | 111.0° |
| N4 | C10 | H6 | 108.9° | 109.5° |
| N4 | C10 | H7 | 108.9° | 109.5° |
| N4 | C11 | C12 | 110.1° | 109.4° |
| N4 | C11 | H8 | 109.3° | 109.5° |
| N4 | C11 | H9 | 109.3° | 109.5° |
| C6 | N2 | C5 | 119.1° | 122.6° |
| N2 | C6 | C2 | 120.9° | 120.0° |
| N2 | C5 | C4 | 124.2° | 121.5° |
| N2 | C5 | H3 | 117.9° | 119.2° |
| C6 | C2 | N1 | 119.6° | 122.5° |
| C6 | C2 | C3 | 117.8° | 118.4° |
| C13 | C14 | C15 | 111.2° | 109.4° |
| C14 | C13 | N5 | 117.1° | 120.0° |
| C14 | C13 | O3 | 120.7° | 120.0° |
| C13 | C14 | H12 | 109.1° | 109.5° |
| C13 | C14 | H13 | 109.0° | 109.5° |
| C15 | C14 | H12 | 109.0° | 109.5° |
| C15 | C14 | H13 | 109.1° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.4° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H16 | 109.5° | 109.5° |
| C12 | N5 | C13 | 123.7° | 120.8° |
| N5 | C12 | C11 | 109.9° | 108.5° |
| N5 | C12 | H10 | 109.3° | 109.6° |
| N5 | C12 | H11 | 109.4° | 109.8° |
| N5 | C13 | O3 | 122.1° | 119.9° |
| C2 | N1 | C1 | 116.2° | 121.5° |
| N1 | C2 | C3 | 122.6° | 119.1° |
| N1 | C1 | N | 125.1° | 123.5° |
| N1 | C1 | H1 | 117.4° | 118.3° |
| C2 | C3 | C4 | 119.6° | 118.9° |
| C2 | C3 | C | 119.5° | 118.2° |
| C5 | C4 | C3 | 118.0° | 118.6° |
| C5 | C4 | H2 | 121.0° | 120.7° |
| C4 | C5 | H3 | 117.9° | 119.3° |
| C12 | C11 | H8 | 109.3° | 109.5° |
| C12 | C11 | H9 | 109.3° | 109.5° |
| C11 | C12 | H10 | 109.4° | 109.6° |
| C11 | C12 | H11 | 109.4° | 109.7° |
| C1 | N | C | 123.6° | 120.6° |
| N | C1 | H1 | 117.4° | 118.2° |
| C1 | N | H5 | 118.2° | 119.7° |
| C4 | C3 | C | 120.8° | 122.9° |
| C3 | C4 | H2 | 121.0° | 120.7° |
| C3 | C | N | 112.8° | 117.2° |
| C3 | C | O | 122.7° | 121.4° |
| N | C | O | 124.3° | 121.4° |
| C | N | H5 | 118.2° | 119.7° |
| H6 | C10 | H7 | 109.4° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.6° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.8° |
| H19 | C20 | H20 | 109.5° | 109.5° |
| H22 | C9 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C21 | N7 | H21 | 180.0° | 179.7° |
| C21 | C8 | C9 | C7 | 178.8° | 180.0° |
| C21 | C8 | C9 | C10 | 68.8° | 90.0° |
| C8 | C21 | N7 | N3 | 0.4° | 0.4° |
| C21 | C8 | C7 | N3 | 0.7° | 0.0° |
| C21 | C8 | C7 | H4 | 179.3° | 179.8° |
| C21 | C8 | C9 | H22 | 51.6° | 30.0° |
| C21 | C8 | C9 | H23 | 170.9° | 150.1° |
| N7 | C21 | C8 | C9 | 178.4° | 179.7° |
| N7 | C21 | C8 | C7 | 0.7° | 0.3° |
| C21 | N7 | N3 | C7 | 0.1° | 0.4° |
| C21 | N7 | N3 | C6 | 178.4° | 179.5° |
| C8 | C9 | C10 | H22 | 120.4° | 120.0° |
| C8 | C9 | C10 | H23 | 120.4° | 120.0° |
| C9 | C8 | C7 | N3 | 178.4° | 180.0° |
| C8 | C9 | C10 | N4 | 173.9° | 180.0° |
| C9 | C8 | C7 | H4 | 1.6° | 0.2° |
| C8 | C9 | C10 | H6 | 65.8° | 60.0° |
| C8 | C9 | C10 | H7 | 53.5° | 59.9° |
| C9 | C8 | C21 | H21 | 1.7° | 0.0° |
| C8 | C9 | H22 | H23 | 118.9° | 120.1° |
| C10 | C9 | C8 | C7 | 112.4° | 90.0° |
| C9 | C10 | N4 | C20 | 113.7° | 170.0° |
| C9 | C10 | N4 | H6 | 120.4° | 120.0° |
| C9 | C10 | N4 | H7 | 120.4° | 120.0° |
| C9 | C10 | N4 | C11 | 124.0° | 65.7° |
| C9 | C10 | H6 | H7 | 118.9° | 120.0° |
| C10 | C9 | H22 | H23 | 118.9° | 119.9° |
| C20 | C19 | N5 | H17 | 120.1° | 119.8° |
| C20 | C19 | N5 | H18 | 120.1° | 119.7° |
| C19 | C20 | N4 | H19 | 120.1° | 120.0° |
| C19 | C20 | N4 | H20 | 120.1° | 119.9° |
| C19 | C20 | N4 | C10 | 173.3° | 172.8° |
| C19 | C20 | N4 | C11 | 62.5° | 63.0° |
| C20 | C19 | N5 | C12 | 52.6° | 51.1° |
| C20 | C19 | N5 | C13 | 127.9° | 128.8° |
| C20 | C19 | H17 | H18 | 119.7° | 120.5° |
| C19 | C20 | H19 | H20 | 119.8° | 120.0° |
| N5 | C19 | C20 | N4 | 56.9° | 53.8° |
| C19 | N5 | C13 | C14 | 1.0° | 180.0° |
| C19 | N5 | C12 | C13 | 179.5° | 179.9° |
| C19 | N5 | C12 | C11 | 52.5° | 51.1° |
| C19 | N5 | C13 | O3 | 178.9° | 0.0° |
| C19 | N5 | C12 | H10 | 172.6° | 68.6° |
| C19 | N5 | C12 | H11 | 67.6° | 171.0° |
| N5 | C19 | H17 | H18 | 119.8° | 120.4° |
| N5 | C19 | C20 | H19 | 176.9° | 173.8° |
| N5 | C19 | C20 | H20 | 63.2° | 66.1° |
| C8 | C7 | N3 | N7 | 0.5° | 0.2° |
| C8 | C7 | N3 | H4 | 180.0° | 179.8° |
| C8 | C7 | N3 | C6 | 178.7° | 179.7° |
| C7 | C8 | C21 | H21 | 179.3° | 180.0° |
| C7 | C8 | C9 | H22 | 127.3° | 150.0° |
| C7 | C8 | C9 | H23 | 8.0° | 29.9° |
| N7 | N3 | C7 | C6 | 178.2° | 180.0° |
| N7 | N3 | C6 | N2 | 2.1° | 155.0° |
| N7 | N3 | C6 | C2 | 171.5° | 25.1° |
| N7 | N3 | C7 | H4 | 179.5° | 180.0° |
| N3 | N7 | C21 | H21 | 179.6° | 179.9° |
| C20 | N4 | C10 | C11 | 122.3° | 124.3° |
| C20 | N4 | C11 | C12 | 62.6° | 63.1° |
| C20 | N4 | C10 | H6 | 126.0° | 70.0° |
| C20 | N4 | C10 | H7 | 6.7° | 50.0° |
| C20 | N4 | C11 | H8 | 177.3° | 56.9° |
| C20 | N4 | C11 | H9 | 57.5° | 176.9° |
| N4 | C20 | C19 | H17 | 177.0° | 173.5° |
| N4 | C20 | C19 | H18 | 63.2° | 65.9° |
| N4 | C20 | H19 | H20 | 119.8° | 120.1° |
| C7 | N3 | C6 | N2 | 176.0° | 25.0° |
| C7 | N3 | C6 | C2 | 6.6° | 155.0° |
| N3 | C6 | N2 | C2 | 169.8° | 180.0° |
| N3 | C6 | N2 | C5 | 164.9° | 180.0° |
| N3 | C6 | C2 | N1 | 20.4° | 0.9° |
| N3 | C6 | C2 | C3 | 161.2° | 180.0° |
| C6 | N3 | C7 | H4 | 1.3° | 0.1° |
| C10 | N4 | C11 | C12 | 173.4° | 172.8° |
| N4 | C10 | H6 | H7 | 118.9° | 120.0° |
| C10 | N4 | C11 | H8 | 53.3° | 67.3° |
| C10 | N4 | C11 | H9 | 66.5° | 52.7° |
| C10 | N4 | C20 | H19 | 53.2° | 52.8° |
| C10 | N4 | C20 | H20 | 66.6° | 67.3° |
| N4 | C10 | C9 | H22 | 53.5° | 60.0° |
| N4 | C10 | C9 | H23 | 65.8° | 60.0° |
| N4 | C11 | C12 | N5 | 56.8° | 53.8° |
| N4 | C11 | C12 | H8 | 120.1° | 120.0° |
| N4 | C11 | C12 | H9 | 120.1° | 120.0° |
| C11 | N4 | C10 | H6 | 3.6° | 54.3° |
| C11 | N4 | C10 | H7 | 115.7° | 174.3° |
| N4 | C11 | H8 | H9 | 119.7° | 120.0° |
| N4 | C11 | C12 | H10 | 176.9° | 65.9° |
| N4 | C11 | C12 | H11 | 63.2° | 173.7° |
| C11 | N4 | C20 | H19 | 177.4° | 177.0° |
| C11 | N4 | C20 | H20 | 57.5° | 56.9° |
| N2 | C6 | C2 | N1 | 170.8° | 179.2° |
| N2 | C6 | C2 | C3 | 7.6° | 0.0° |
| C6 | N2 | C5 | C4 | 0.6° | 0.0° |
| C6 | N2 | C5 | H3 | 179.4° | 180.0° |
| C5 | N2 | C6 | C2 | 4.9° | 0.0° |
| N2 | C5 | C4 | H3 | 180.0° | 180.0° |
| N2 | C5 | C4 | C3 | 3.1° | 0.0° |
| N2 | C5 | C4 | H2 | 176.9° | 180.0° |
| C6 | C2 | N1 | C3 | 178.2° | 179.1° |
| C6 | C2 | N1 | C1 | 179.4° | 179.7° |
| C6 | C2 | C3 | C4 | 4.9° | 0.0° |
| C6 | C2 | C3 | C | 177.2° | 180.0° |
| C13 | C14 | C15 | H12 | 120.3° | 120.0° |
| C13 | C14 | C15 | H13 | 120.3° | 120.0° |
| C14 | C13 | N5 | C12 | 179.5° | 0.0° |
| C14 | C13 | N5 | O3 | 179.9° | 180.0° |
| C13 | C14 | H12 | H13 | 119.2° | 120.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 60.0° | 60.0° |
| C13 | C14 | C15 | H16 | 60.0° | 60.0° |
| C15 | C14 | C13 | N5 | 120.2° | 180.0° |
| C15 | C14 | C13 | O3 | 59.9° | 0.0° |
| C15 | C14 | H12 | H13 | 119.2° | 120.0° |
| C14 | C15 | H14 | H15 | 120.0° | 120.0° |
| C14 | C15 | H14 | H16 | 120.0° | 120.0° |
| C14 | C15 | H15 | H16 | 120.0° | 120.0° |
| N5 | C12 | C11 | H10 | 120.0° | 119.6° |
| N5 | C12 | C11 | H11 | 120.1° | 120.0° |
| C12 | N5 | C13 | O3 | 0.6° | 179.9° |
| N5 | C12 | C11 | H8 | 176.9° | 66.2° |
| N5 | C12 | C11 | H9 | 63.3° | 173.8° |
| N5 | C12 | H10 | H11 | 119.8° | 120.6° |
| C12 | N5 | C19 | H17 | 172.7° | 170.9° |
| C12 | N5 | C19 | H18 | 67.5° | 68.6° |
| C13 | N5 | C12 | C11 | 128.0° | 128.8° |
| C13 | N5 | C12 | H10 | 8.0° | 111.5° |
| C13 | N5 | C12 | H11 | 111.9° | 8.9° |
| N5 | C13 | C14 | H12 | 0.0° | 60.0° |
| N5 | C13 | C14 | H13 | 119.5° | 60.0° |
| C13 | N5 | C19 | H17 | 7.8° | 9.0° |
| C13 | N5 | C19 | H18 | 112.0° | 111.5° |
| C2 | N1 | C1 | N | 1.9° | 0.1° |
| N1 | C2 | C3 | C4 | 173.4° | 179.2° |
| N1 | C2 | C3 | C | 4.5° | 0.8° |
| C2 | N1 | C1 | H1 | 178.1° | 179.7° |
| C1 | N1 | C2 | C3 | 1.1° | 0.6° |
| N1 | C1 | N | H1 | 180.0° | 179.8° |
| N1 | C1 | N | C | 1.5° | 0.2° |
| N1 | C1 | N | H5 | 178.5° | 179.7° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C | 177.8° | 180.0° |
| C2 | C3 | C | N | 4.6° | 0.6° |
| C2 | C3 | C | O | 171.0° | 180.0° |
| C2 | C3 | C4 | H2 | 179.9° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 180.0° |
| C5 | C4 | C3 | C | 177.7° | 180.0° |
| C12 | C11 | H8 | H9 | 119.7° | 120.1° |
| C11 | C12 | H10 | H11 | 119.8° | 120.4° |
| O3 | C13 | C14 | H12 | 179.9° | 120.1° |
| O3 | C13 | C14 | H13 | 60.4° | 120.0° |
| C1 | N | C | C3 | 1.8° | 0.1° |
| C1 | N | C | H5 | 180.0° | 179.9° |
| C1 | N | C | O | 173.6° | 179.5° |
| C4 | C3 | C | N | 173.3° | 179.4° |
| C4 | C3 | C | O | 11.2° | 0.0° |
| C3 | C4 | C5 | H3 | 176.9° | 180.0° |
| C3 | C | N | O | 175.5° | 179.5° |
| C | C3 | C4 | H2 | 2.3° | 0.0° |
| C3 | C | N | H5 | 178.1° | 179.9° |
| C | N | C1 | H1 | 178.5° | 180.0° |
| O | C | N | H5 | 6.4° | 0.6° |
| H1 | C1 | N | H5 | 1.5° | 0.1° |
| H2 | C4 | C5 | H3 | 3.1° | 0.0° |
| H6 | C10 | C9 | H22 | 173.9° | 60.1° |
| H6 | C10 | C9 | H23 | 54.6° | 180.0° |
| H7 | C10 | C9 | H22 | 66.8° | 180.0° |
| H7 | C10 | C9 | H23 | 173.9° | 60.0° |
| H8 | C11 | C12 | H10 | 63.0° | 174.2° |
| H8 | C11 | C12 | H11 | 56.9° | 53.8° |
| H9 | C11 | C12 | H10 | 56.8° | 54.1° |
| H9 | C11 | C12 | H11 | 176.7° | 66.3° |
| H12 | C14 | C15 | H14 | 59.7° | 60.0° |
| H12 | C14 | C15 | H15 | 179.7° | 180.0° |
| H12 | C14 | C15 | H16 | 60.3° | 60.0° |
| H13 | C14 | C15 | H14 | 59.7° | 60.0° |
| H13 | C14 | C15 | H15 | 60.3° | 60.0° |
| H13 | C14 | C15 | H16 | 179.8° | 180.0° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C19 | C20 | H19 | 62.9° | 66.4° |
| H17 | C19 | C20 | H20 | 56.9° | 53.6° |
| H18 | C19 | C20 | H19 | 56.8° | 54.2° |
| H18 | C19 | C20 | H20 | 176.7° | 174.3° |
