BLZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.41Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.36Å | 1.39Å | |
| C3 | C4 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C29 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | N6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| N6 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C7 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | C27 | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | S23 | sing | 1.70Å | 1.71Å | Aromatic |
| C9 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | O12 | sing | 1.35Å | 1.36Å | |
| O12 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.52Å | 1.51Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.10Å | 1.10Å | |
| C15 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C17 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | CL2 | sing | 1.73Å | 1.49Å | |
| C22 | S23 | sing | 1.71Å | 1.71Å | Aromatic |
| C22 | C24 | sing | 1.43Å | 1.43Å | |
| C24 | O25 | doub | 1.26Å | 1.22Å | |
| C24 | N26 | sing | 1.40Å | 1.37Å | |
| N26 | H261 | sing | 1.01Å | 1.00Å | |
| N26 | H262 | sing | 1.02Å | 1.00Å | |
| C27 | C28 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.38Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | O30 | sing | 1.37Å | 1.39Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H11 | 109.5° | 109.5° |
| O2 | C1 | H12 | 109.5° | 109.5° |
| O2 | C1 | H13A | 109.4° | 109.0° |
| C1 | O2 | C3 | 109.2° | 116.9° |
| H11 | C1 | H12 | 109.5° | 110.0° |
| H11 | C1 | H13A | 109.4° | 109.4° |
| H12 | C1 | H13A | 109.5° | 109.4° |
| O2 | C3 | C4 | 122.6° | 118.8° |
| O2 | C3 | C29 | 115.3° | 120.2° |
| C4 | C3 | C29 | 122.1° | 121.0° |
| C3 | C4 | C5 | 116.6° | 118.5° |
| C3 | C4 | H4 | 121.7° | 120.8° |
| C3 | C29 | C28 | 122.2° | 121.3° |
| C3 | C29 | O30 | 114.6° | 120.0° |
| C5 | C4 | H4 | 121.7° | 120.7° |
| C4 | C5 | N6 | 128.9° | 130.0° |
| C4 | C5 | C27 | 120.4° | 119.2° |
| N6 | C5 | C27 | 110.7° | 110.8° |
| C5 | N6 | C7 | 105.1° | 105.1° |
| C5 | C27 | N8 | 105.1° | 104.4° |
| C5 | C27 | C28 | 123.5° | 123.3° |
| N6 | C7 | N8 | 112.1° | 111.9° |
| N6 | C7 | H7 | 123.9° | 125.3° |
| N8 | C7 | H7 | 124.0° | 122.8° |
| C7 | N8 | C27 | 107.0° | 107.8° |
| C7 | N8 | C9 | 126.3° | 125.4° |
| C27 | N8 | C9 | 126.6° | 126.8° |
| N8 | C27 | C28 | 131.4° | 132.3° |
| N8 | C9 | S23 | 117.5° | 118.0° |
| N8 | C9 | C10 | 130.2° | 128.9° |
| S23 | C9 | C10 | 112.2° | 113.1° |
| C9 | S23 | C22 | 92.1° | 91.3° |
| C9 | C10 | C11 | 111.5° | 111.5° |
| C9 | C10 | H10 | 124.3° | 124.1° |
| C11 | C10 | H10 | 124.2° | 124.4° |
| C10 | C11 | C22 | 113.1° | 112.1° |
| C10 | C11 | O12 | 127.0° | 125.0° |
| C22 | C11 | O12 | 120.0° | 122.9° |
| C11 | C22 | S23 | 111.2° | 112.0° |
| C11 | C22 | C24 | 130.2° | 129.2° |
| C11 | O12 | C13 | 115.8° | 117.6° |
| O12 | C13 | C15 | 116.9° | 108.4° |
| O12 | C13 | C14 | 106.6° | 108.8° |
| O12 | C13 | H13 | 106.0° | 107.2° |
| C15 | C13 | C14 | 108.1° | 112.4° |
| C15 | C13 | H13 | 104.5° | 111.0° |
| C13 | C15 | C16 | 120.3° | 117.8° |
| C13 | C15 | C20 | 121.2° | 121.1° |
| C14 | C13 | H13 | 115.2° | 108.9° |
| C13 | C14 | H141 | 109.5° | 111.5° |
| C13 | C14 | H142 | 109.5° | 111.7° |
| C13 | C14 | H143 | 109.5° | 110.2° |
| H141 | C14 | H142 | 109.5° | 108.4° |
| H141 | C14 | H143 | 109.4° | 108.6° |
| H142 | C14 | H143 | 109.5° | 106.3° |
| C16 | C15 | C20 | 118.5° | 121.1° |
| C15 | C16 | C17 | 121.4° | 119.4° |
| C15 | C16 | H16 | 119.3° | 121.2° |
| C15 | C20 | C19 | 120.0° | 119.5° |
| C15 | C20 | CL2 | 122.9° | 121.9° |
| C17 | C16 | H16 | 119.3° | 119.4° |
| C16 | C17 | C18 | 119.6° | 120.0° |
| C16 | C17 | H17 | 120.2° | 120.0° |
| C18 | C17 | H17 | 120.2° | 120.0° |
| C17 | C18 | C19 | 119.8° | 120.0° |
| C17 | C18 | H18 | 120.1° | 120.0° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C18 | C19 | H19 | 119.6° | 119.1° |
| C20 | C19 | H19 | 119.7° | 120.9° |
| C19 | C20 | CL2 | 117.1° | 118.7° |
| S23 | C22 | C24 | 118.7° | 118.7° |
| C22 | C24 | O25 | 124.4° | 122.5° |
| C22 | C24 | N26 | 112.2° | 118.7° |
| O25 | C24 | N26 | 123.4° | 118.9° |
| C24 | N26 | H261 | 111.9° | 118.8° |
| C24 | N26 | H262 | 124.1° | 122.4° |
| H261 | N26 | H262 | 124.1° | 118.8° |
| C27 | C28 | C29 | 115.1° | 116.8° |
| C27 | C28 | H28 | 122.4° | 121.9° |
| C29 | C28 | H28 | 122.5° | 121.4° |
| C28 | C29 | O30 | 123.1° | 118.7° |
| C29 | O30 | C31 | 110.4° | 116.9° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O30 | C31 | H313 | 109.5° | 109.0° |
| H311 | C31 | H312 | 109.5° | 110.1° |
| H311 | C31 | H313 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H11 | H12 | 120.0° | 120.4° |
| O2 | C1 | H11 | H13A | 120.0° | 119.4° |
| O2 | C1 | H12 | H13A | 120.0° | 119.4° |
| C1 | O2 | C3 | C4 | 0.3° | 90.0° |
| C1 | O2 | C3 | C29 | 179.8° | 90.0° |
| H11 | C1 | H12 | H13A | 120.0° | 120.2° |
| H11 | C1 | O2 | C3 | 9.9° | 142.4° |
| H12 | C1 | O2 | C3 | 129.9° | 96.9° |
| H13A | C1 | O2 | C3 | 110.1° | 22.8° |
| O2 | C3 | C4 | C29 | 179.9° | 180.0° |
| O2 | C3 | C4 | C5 | 180.0° | 180.0° |
| O2 | C3 | C4 | H4 | 0.0° | 0.0° |
| O2 | C3 | C29 | C28 | 179.9° | 180.0° |
| O2 | C3 | C29 | O30 | 0.0° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N6 | 179.9° | 180.0° |
| C3 | C4 | C5 | C27 | 0.1° | 0.1° |
| C4 | C3 | C29 | C28 | 0.2° | 0.0° |
| C4 | C3 | C29 | O30 | 179.9° | 179.9° |
| C29 | C3 | C4 | C5 | 0.2° | 0.0° |
| C29 | C3 | C4 | H4 | 179.9° | 179.9° |
| C3 | C29 | C28 | C27 | 0.1° | 0.0° |
| C3 | C29 | C28 | O30 | 179.9° | 179.9° |
| C3 | C29 | C28 | H28 | 179.9° | 179.9° |
| C3 | C29 | O30 | C31 | 180.0° | 90.0° |
| C4 | C5 | N6 | C27 | 179.9° | 179.9° |
| C4 | C5 | N6 | C7 | 179.9° | 180.0° |
| C4 | C5 | C27 | N8 | 179.7° | 180.0° |
| C4 | C5 | C27 | C28 | 0.0° | 0.1° |
| H4 | C4 | C5 | N6 | 0.1° | 0.1° |
| H4 | C4 | C5 | C27 | 180.0° | 180.0° |
| C5 | N6 | C7 | N8 | 0.4° | 0.0° |
| C5 | N6 | C7 | H7 | 179.6° | 180.0° |
| N6 | C5 | C27 | N8 | 0.4° | 0.0° |
| N6 | C5 | C27 | C28 | 179.9° | 180.0° |
| C27 | C5 | N6 | C7 | 0.0° | 0.0° |
| C5 | C27 | N8 | C7 | 0.6° | 0.0° |
| C5 | C27 | N8 | C28 | 179.7° | 180.0° |
| C5 | C27 | N8 | C9 | 178.4° | 180.0° |
| C5 | C27 | C28 | C29 | 0.0° | 0.0° |
| C5 | C27 | C28 | H28 | 180.0° | 179.9° |
| N6 | C7 | N8 | H7 | 180.0° | 179.9° |
| N6 | C7 | N8 | C27 | 0.7° | 0.0° |
| N6 | C7 | N8 | C9 | 178.4° | 180.0° |
| C7 | N8 | C27 | C9 | 177.7° | 180.0° |
| C7 | N8 | C9 | S23 | 40.8° | 30.0° |
| C7 | N8 | C9 | C10 | 142.4° | 149.9° |
| C7 | N8 | C27 | C28 | 179.7° | 180.0° |
| H7 | C7 | N8 | C27 | 179.3° | 179.9° |
| H7 | C7 | N8 | C9 | 1.6° | 0.1° |
| C27 | N8 | C9 | S23 | 136.6° | 150.0° |
| C27 | N8 | C9 | C10 | 40.3° | 30.0° |
| N8 | C27 | C28 | C29 | 179.7° | 180.0° |
| N8 | C27 | C28 | H28 | 0.3° | 0.1° |
| N8 | C9 | S23 | C10 | 177.4° | 180.0° |
| N8 | C9 | C10 | C11 | 176.9° | 180.0° |
| N8 | C9 | C10 | H10 | 3.1° | 0.1° |
| N8 | C9 | S23 | C22 | 177.1° | 180.0° |
| C9 | N8 | C27 | C28 | 1.9° | 0.0° |
| S23 | C9 | C10 | C11 | 0.1° | 0.0° |
| S23 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | S23 | C22 | C11 | 0.5° | 0.0° |
| C9 | S23 | C22 | C24 | 179.3° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C22 | 0.3° | 0.0° |
| C9 | C10 | C11 | O12 | 179.1° | 180.0° |
| C10 | C9 | S23 | C22 | 0.4° | 0.0° |
| C10 | C11 | C22 | O12 | 179.0° | 180.0° |
| C10 | C11 | O12 | C13 | 45.0° | 30.0° |
| C10 | C11 | C22 | S23 | 0.5° | 0.0° |
| C10 | C11 | C22 | C24 | 179.3° | 180.0° |
| H10 | C10 | C11 | C22 | 179.8° | 179.9° |
| H10 | C10 | C11 | O12 | 0.9° | 0.1° |
| C22 | C11 | O12 | C13 | 133.8° | 150.0° |
| C11 | C22 | S23 | C24 | 179.8° | 180.0° |
| C11 | C22 | C24 | O25 | 171.2° | 179.1° |
| C11 | C22 | C24 | N26 | 7.7° | 0.0° |
| C11 | O12 | C13 | C15 | 43.4° | 90.0° |
| C11 | O12 | C13 | C14 | 164.3° | 147.6° |
| C11 | O12 | C13 | H13 | 72.5° | 30.0° |
| O12 | C11 | C22 | S23 | 179.5° | 180.0° |
| O12 | C11 | C22 | C24 | 0.3° | 0.0° |
| O12 | C13 | C15 | C14 | 120.2° | 120.2° |
| O12 | C13 | C15 | H13 | 116.7° | 117.5° |
| O12 | C13 | C14 | H13 | 117.2° | 116.5° |
| O12 | C13 | C14 | H141 | 173.1° | 3.6° |
| O12 | C13 | C14 | H142 | 66.9° | 125.0° |
| O12 | C13 | C14 | H143 | 53.1° | 117.1° |
| O12 | C13 | C15 | C16 | 31.0° | 32.4° |
| O12 | C13 | C15 | C20 | 149.2° | 147.5° |
| C15 | C13 | C14 | H13 | 116.3° | 123.5° |
| C15 | C13 | C14 | H141 | 60.5° | 116.4° |
| C15 | C13 | C14 | H142 | 59.5° | 5.0° |
| C15 | C13 | C14 | H143 | 179.5° | 122.9° |
| C13 | C15 | C16 | C20 | 179.8° | 179.9° |
| C13 | C15 | C16 | C17 | 179.9° | 180.0° |
| C13 | C15 | C16 | H16 | 0.1° | 0.0° |
| C13 | C15 | C20 | C19 | 179.8° | 180.0° |
| C13 | C15 | C20 | CL2 | 0.1° | 0.1° |
| C13 | C14 | H141 | H142 | 120.0° | 123.3° |
| C13 | C14 | H141 | H143 | 120.0° | 121.6° |
| C13 | C14 | H142 | H143 | 120.0° | 120.3° |
| C14 | C13 | C15 | C16 | 89.1° | 87.8° |
| C14 | C13 | C15 | C20 | 90.6° | 92.3° |
| H13 | C13 | C14 | H141 | 55.8° | 120.1° |
| H13 | C13 | C14 | H142 | 175.8° | 118.5° |
| H13 | C13 | C14 | H143 | 64.2° | 0.5° |
| H13 | C13 | C15 | C16 | 147.8° | 149.9° |
| H13 | C13 | C15 | C20 | 32.5° | 30.0° |
| H141 | C14 | H142 | H143 | 120.0° | 116.6° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.1° |
| C16 | C15 | C20 | CL2 | 179.9° | 180.0° |
| C20 | C15 | C16 | C17 | 0.4° | 0.1° |
| C20 | C15 | C16 | H16 | 179.7° | 179.9° |
| C15 | C20 | C19 | C18 | 0.2° | 0.0° |
| C15 | C20 | C19 | CL2 | 179.9° | 179.9° |
| C15 | C20 | C19 | H19 | 179.8° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| H16 | C16 | C17 | C18 | 179.7° | 180.0° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 179.9° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | CL2 | 179.8° | 179.9° |
| H18 | C18 | C19 | C20 | 179.7° | 180.0° |
| H18 | C18 | C19 | H19 | 0.2° | 0.1° |
| H19 | C19 | C20 | CL2 | 0.2° | 0.0° |
| S23 | C22 | C24 | O25 | 8.6° | 0.9° |
| S23 | C22 | C24 | N26 | 172.6° | 180.0° |
| C22 | C24 | O25 | N26 | 178.7° | 179.1° |
| C22 | C24 | N26 | H261 | 179.6° | 0.0° |
| C22 | C24 | N26 | H262 | 0.4° | 179.9° |
| O25 | C24 | N26 | H261 | 0.7° | 179.1° |
| O25 | C24 | N26 | H262 | 179.3° | 0.9° |
| C24 | N26 | H261 | H262 | 180.0° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | O30 | 180.0° | 179.9° |
| C28 | C29 | O30 | C31 | 0.0° | 89.9° |
| H28 | C28 | C29 | O30 | 0.0° | 0.0° |
| C29 | O30 | C31 | H311 | 174.6° | 44.4° |
| C29 | O30 | C31 | H312 | 65.4° | 165.2° |
| C29 | O30 | C31 | H313 | 54.6° | 75.2° |
| O30 | C31 | H311 | H312 | 120.0° | 120.5° |
| O30 | C31 | H311 | H313 | 120.0° | 119.4° |
| O30 | C31 | H312 | H313 | 120.0° | 119.3° |
| H311 | C31 | H312 | H313 | 120.0° | 120.2° |
