B7Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL21 | C20 | sing | 1.80Å | 1.79Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.57Å | |
| O22 | C17 | doub | 1.21Å | 1.20Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.47Å | 1.53Å | |
| C16 | C15 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C23 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.36Å | Aromatic |
| C12 | C02 | sing | 1.48Å | 1.51Å | |
| O01 | C02 | doub | 1.22Å | 1.16Å | |
| C02 | N03 | sing | 1.35Å | 1.43Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| O11 | C08 | doub | 1.21Å | 1.20Å | |
| O09 | C08 | sing | 1.34Å | 1.41Å | |
| O09 | C10 | sing | 1.45Å | 1.39Å | |
| C08 | C04 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C07 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | 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 | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| N03 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL21 | C20 | C19 | 116.9° | 109.5° |
| CL21 | C20 | H19 | 107.6° | 109.5° |
| CL21 | C20 | H20 | 107.5° | 109.5° |
| C20 | C19 | C18 | 112.8° | 109.5° |
| C20 | C19 | H17 | 108.6° | 109.5° |
| C20 | C19 | H18 | 108.7° | 109.4° |
| C19 | C20 | H19 | 107.6° | 109.5° |
| C19 | C20 | H20 | 107.6° | 109.4° |
| C19 | C18 | C17 | 112.7° | 109.4° |
| C19 | C18 | H15 | 108.7° | 109.5° |
| C19 | C18 | H16 | 108.7° | 109.4° |
| C18 | C19 | H17 | 108.6° | 109.5° |
| C18 | C19 | H18 | 108.6° | 109.4° |
| O22 | C17 | C18 | 125.2° | 120.0° |
| O22 | C17 | C16 | 117.6° | 120.0° |
| C18 | C17 | C16 | 117.1° | 120.0° |
| C17 | C18 | H15 | 108.6° | 109.5° |
| C17 | C18 | H16 | 108.7° | 109.5° |
| C17 | C16 | C15 | 121.3° | 120.1° |
| C17 | C16 | C23 | 118.3° | 120.1° |
| C15 | C16 | C23 | 120.3° | 119.8° |
| C16 | C15 | C14 | 118.3° | 120.1° |
| C16 | C15 | H14 | 120.8° | 119.9° |
| C16 | C23 | C12 | 120.8° | 119.7° |
| C16 | C23 | H21 | 119.6° | 120.1° |
| C15 | C14 | C13 | 121.7° | 120.4° |
| C15 | C14 | H13 | 119.1° | 119.8° |
| C14 | C15 | H14 | 120.8° | 120.0° |
| C23 | C12 | C13 | 119.5° | 119.9° |
| C23 | C12 | C02 | 117.9° | 120.1° |
| C12 | C23 | H21 | 119.6° | 120.2° |
| C14 | C13 | C12 | 119.3° | 120.2° |
| C14 | C13 | H12 | 120.3° | 119.9° |
| C13 | C14 | H13 | 119.1° | 119.8° |
| C13 | C12 | C02 | 122.6° | 120.0° |
| C12 | C13 | H12 | 120.4° | 119.9° |
| C12 | C02 | O01 | 116.3° | 120.0° |
| C12 | C02 | N03 | 124.0° | 120.0° |
| O01 | C02 | N03 | 119.6° | 120.0° |
| C02 | N03 | C04 | 119.5° | 120.0° |
| C02 | N03 | H22 | 120.3° | 120.0° |
| N03 | C04 | C08 | 111.8° | 109.4° |
| N03 | C04 | C05 | 106.9° | 109.4° |
| N03 | C04 | H1 | 106.9° | 109.5° |
| C04 | N03 | H22 | 120.2° | 120.0° |
| O11 | C08 | O09 | 117.2° | 120.0° |
| O11 | C08 | C04 | 119.0° | 120.0° |
| C08 | O09 | C10 | 113.3° | 117.0° |
| O09 | C08 | C04 | 123.8° | 120.0° |
| O09 | C10 | H9 | 109.5° | 109.4° |
| O09 | C10 | H10 | 109.5° | 109.5° |
| O09 | C10 | H11 | 109.5° | 109.5° |
| C08 | C04 | C05 | 118.8° | 109.5° |
| C08 | C04 | H1 | 105.8° | 109.5° |
| C04 | C05 | C07 | 109.6° | 109.5° |
| C04 | C05 | C06 | 119.8° | 109.4° |
| C05 | C04 | H1 | 106.0° | 109.5° |
| C04 | C05 | H2 | 104.6° | 109.6° |
| C07 | C05 | C06 | 112.2° | 109.4° |
| C07 | C05 | H2 | 104.6° | 109.5° |
| C05 | C07 | H6 | 109.5° | 109.5° |
| C05 | C07 | H7 | 109.5° | 109.5° |
| C05 | C07 | H8 | 109.5° | 109.5° |
| C06 | C05 | H2 | 104.6° | 109.4° |
| C05 | C06 | H3 | 109.5° | 109.4° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.5° | 109.4° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H3 | C06 | H5 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H9 | C10 | H11 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.4° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL21 | C20 | C19 | H19 | 121.1° | 120.0° |
| CL21 | C20 | C19 | H20 | 121.1° | 120.0° |
| CL21 | C20 | C19 | C18 | 175.5° | 180.0° |
| CL21 | C20 | C19 | H17 | 64.0° | 60.0° |
| CL21 | C20 | C19 | H18 | 55.0° | 60.0° |
| CL21 | C20 | H19 | H20 | 116.6° | 120.0° |
| C20 | C19 | C18 | H17 | 120.5° | 120.1° |
| C20 | C19 | C18 | H18 | 120.5° | 119.9° |
| C20 | C19 | C18 | C17 | 144.6° | 180.0° |
| C20 | C19 | C18 | H15 | 94.9° | 60.0° |
| C20 | C19 | C18 | H16 | 24.1° | 60.1° |
| C20 | C19 | H17 | H18 | 118.5° | 120.0° |
| C19 | C20 | H19 | H20 | 116.6° | 120.0° |
| C19 | C18 | C17 | O22 | 29.4° | 0.0° |
| C19 | C18 | C17 | H15 | 120.5° | 120.0° |
| C19 | C18 | C17 | H16 | 120.5° | 120.0° |
| C19 | C18 | C17 | C16 | 152.5° | 180.0° |
| C19 | C18 | H15 | H16 | 118.5° | 120.0° |
| C18 | C19 | H17 | H18 | 118.5° | 120.0° |
| C18 | C19 | C20 | H19 | 54.4° | 59.9° |
| C18 | C19 | C20 | H20 | 63.5° | 60.0° |
| O22 | C17 | C18 | C16 | 178.1° | 180.0° |
| O22 | C17 | C16 | C15 | 17.6° | 180.0° |
| O22 | C17 | C16 | C23 | 166.5° | 0.3° |
| O22 | C17 | C18 | H15 | 91.1° | 120.0° |
| O22 | C17 | C18 | H16 | 149.8° | 120.0° |
| C18 | C17 | C16 | C15 | 160.7° | 0.0° |
| C18 | C17 | C16 | C23 | 15.2° | 179.7° |
| C17 | C18 | H15 | H16 | 118.5° | 120.0° |
| C17 | C18 | C19 | H17 | 24.2° | 60.0° |
| C17 | C18 | C19 | H18 | 94.8° | 60.0° |
| C17 | C16 | C15 | C23 | 175.8° | 179.7° |
| C17 | C16 | C15 | C14 | 177.9° | 180.0° |
| C17 | C16 | C23 | C12 | 178.3° | 179.7° |
| C17 | C16 | C15 | H14 | 2.1° | 0.0° |
| C16 | C17 | C18 | H15 | 87.0° | 60.0° |
| C16 | C17 | C18 | H16 | 32.0° | 60.0° |
| C17 | C16 | C23 | H21 | 1.7° | 0.3° |
| C16 | C15 | C14 | H14 | 180.0° | 179.9° |
| C15 | C16 | C23 | C12 | 2.4° | 0.6° |
| C16 | C15 | C14 | C13 | 0.3° | 0.1° |
| C16 | C15 | C14 | H13 | 179.7° | 180.0° |
| C15 | C16 | C23 | H21 | 177.6° | 180.0° |
| C23 | C16 | C15 | C14 | 2.1° | 0.3° |
| C16 | C23 | C12 | H21 | 180.0° | 179.4° |
| C16 | C23 | C12 | C13 | 0.9° | 0.6° |
| C16 | C23 | C12 | C02 | 177.7° | 179.7° |
| C23 | C16 | C15 | H14 | 177.9° | 179.7° |
| C15 | C14 | C13 | H13 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 1.3° | 0.1° |
| C15 | C14 | C13 | H12 | 178.7° | 180.0° |
| C23 | C12 | C13 | C14 | 1.0° | 0.3° |
| C23 | C12 | C13 | C02 | 178.5° | 179.7° |
| C23 | C12 | C02 | O01 | 44.3° | 0.6° |
| C23 | C12 | C02 | N03 | 135.6° | 179.7° |
| C23 | C12 | C13 | H12 | 179.0° | 179.7° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C14 | C13 | C12 | C02 | 179.4° | 180.0° |
| C13 | C14 | C15 | H14 | 179.7° | 180.0° |
| C13 | C12 | C02 | O01 | 134.2° | 179.8° |
| C13 | C12 | C02 | N03 | 45.9° | 0.0° |
| C12 | C13 | C14 | H13 | 178.7° | 180.0° |
| C13 | C12 | C23 | H21 | 179.2° | 180.0° |
| C12 | C02 | O01 | N03 | 179.8° | 179.8° |
| C12 | C02 | N03 | C04 | 177.2° | 180.0° |
| C02 | C12 | C13 | H12 | 0.5° | 0.1° |
| C02 | C12 | C23 | H21 | 2.3° | 0.3° |
| C12 | C02 | N03 | H22 | 2.8° | 0.1° |
| O01 | C02 | N03 | C04 | 2.7° | 0.2° |
| O01 | C02 | N03 | H22 | 177.3° | 179.7° |
| C02 | N03 | C04 | H22 | 180.0° | 179.9° |
| C02 | N03 | C04 | C08 | 44.8° | 155.0° |
| C02 | N03 | C04 | C05 | 176.4° | 85.1° |
| C02 | N03 | C04 | H1 | 70.5° | 35.0° |
| N03 | C04 | C08 | O11 | 99.8° | 0.0° |
| N03 | C04 | C08 | O09 | 77.8° | 179.9° |
| N03 | C04 | C08 | C05 | 125.3° | 119.9° |
| N03 | C04 | C08 | H1 | 115.9° | 120.0° |
| N03 | C04 | C05 | H1 | 113.7° | 120.0° |
| N03 | C04 | C05 | C07 | 89.0° | 60.1° |
| N03 | C04 | C05 | C06 | 139.4° | 180.0° |
| N03 | C04 | C05 | H2 | 22.7° | 60.0° |
| O11 | C08 | O09 | C04 | 177.7° | 180.0° |
| O11 | C08 | O09 | C10 | 62.5° | 0.0° |
| O11 | C08 | C04 | C05 | 134.9° | 119.9° |
| O11 | C08 | C04 | H1 | 16.1° | 120.0° |
| O09 | C08 | C04 | C05 | 47.5° | 60.0° |
| O09 | C08 | C04 | H1 | 166.2° | 60.1° |
| C08 | O09 | C10 | H9 | 180.0° | 179.9° |
| C08 | O09 | C10 | H10 | 60.0° | 60.0° |
| C08 | O09 | C10 | H11 | 60.0° | 60.0° |
| C10 | O09 | C08 | C04 | 119.8° | 180.0° |
| O09 | C10 | H9 | H10 | 120.0° | 120.0° |
| O09 | C10 | H9 | H11 | 120.0° | 119.9° |
| O09 | C10 | H10 | H11 | 120.0° | 120.0° |
| C08 | C04 | C05 | H1 | 118.7° | 120.1° |
| C08 | C04 | C05 | C07 | 143.5° | 180.0° |
| C08 | C04 | C05 | C06 | 11.8° | 60.1° |
| C08 | C04 | C05 | H2 | 104.9° | 59.9° |
| C08 | C04 | N03 | H22 | 135.2° | 24.9° |
| C04 | C05 | C07 | C06 | 135.6° | 119.9° |
| C04 | C05 | C07 | H2 | 111.7° | 120.1° |
| C04 | C05 | C06 | H2 | 116.7° | 120.1° |
| C04 | C05 | C06 | H3 | 180.0° | 59.9° |
| C04 | C05 | C06 | H4 | 60.0° | 180.0° |
| C04 | C05 | C06 | H5 | 60.0° | 60.1° |
| C04 | C05 | C07 | H6 | 180.0° | 60.1° |
| C04 | C05 | C07 | H7 | 60.0° | 180.0° |
| C04 | C05 | C07 | H8 | 60.0° | 59.9° |
| C05 | C04 | N03 | H22 | 3.6° | 95.0° |
| C07 | C05 | C06 | H2 | 112.8° | 120.0° |
| C07 | C05 | C04 | H1 | 24.8° | 59.9° |
| C07 | C05 | C06 | H3 | 49.5° | 60.0° |
| C07 | C05 | C06 | H4 | 169.4° | 60.0° |
| C07 | C05 | C06 | H5 | 70.5° | 180.0° |
| C05 | C07 | H6 | H7 | 120.0° | 120.0° |
| C05 | C07 | H6 | H8 | 120.0° | 120.0° |
| C05 | C07 | H7 | H8 | 120.0° | 120.1° |
| C06 | C05 | C04 | H1 | 106.9° | 60.0° |
| C05 | C06 | H3 | H4 | 120.0° | 120.0° |
| C05 | C06 | H3 | H5 | 120.0° | 119.9° |
| C05 | C06 | H4 | H5 | 120.0° | 119.9° |
| C06 | C05 | C07 | H6 | 44.4° | 180.0° |
| C06 | C05 | C07 | H7 | 75.6° | 60.0° |
| C06 | C05 | C07 | H8 | 164.4° | 60.0° |
| H1 | C04 | C05 | H2 | 136.4° | 180.0° |
| H1 | C04 | N03 | H22 | 109.5° | 144.9° |
| H2 | C05 | C06 | H3 | 63.3° | 180.0° |
| H2 | C05 | C06 | H4 | 56.7° | 59.9° |
| H2 | C05 | C06 | H5 | 176.7° | 60.0° |
| H2 | C05 | C07 | H6 | 68.4° | 60.1° |
| H2 | C05 | C07 | H7 | 171.6° | 59.9° |
| H2 | C05 | C07 | H8 | 51.7° | 179.9° |
| H3 | C06 | H4 | H5 | 120.0° | 120.0° |
| H6 | C07 | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | H10 | H11 | 120.0° | 120.0° |
| H12 | C13 | C14 | H13 | 1.3° | 0.1° |
| H13 | C14 | C15 | H14 | 0.3° | 0.1° |
| H15 | C18 | C19 | H17 | 144.6° | 180.0° |
| H15 | C18 | C19 | H18 | 25.6° | 59.9° |
| H16 | C18 | C19 | H17 | 96.3° | 60.0° |
| H16 | C18 | C19 | H18 | 144.7° | 180.0° |
| H17 | C19 | C20 | H19 | 174.9° | 180.0° |
| H17 | C19 | C20 | H20 | 57.0° | 60.0° |
| H18 | C19 | C20 | H19 | 66.1° | 60.0° |
| H18 | C19 | C20 | H20 | 176.0° | 180.0° |
