A1B7F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | sing | 1.48Å | 1.61Å | |
| C15 | N14 | sing | 1.35Å | 1.50Å | |
| C15 | O27 | doub | 1.22Å | 1.21Å | |
| C02 | C03 | sing | 1.46Å | 1.61Å | |
| C02 | N31 | sing | 1.31Å | 1.51Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C03 | C04 | doub | 1.40Å | 1.42Å | Aromatic |
| C03 | C09 | sing | 1.40Å | 1.45Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.44Å | Aromatic |
| C04 | S10 | sing | 1.76Å | 1.89Å | |
| C05 | C06 | doub | 1.38Å | 1.43Å | Aromatic |
| C06 | C08 | sing | 1.39Å | 1.44Å | Aromatic |
| C06 | F07 | sing | 1.35Å | 1.35Å | |
| C08 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | S10 | sing | 1.76Å | 1.89Å | |
| C12 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | N14 | sing | 1.40Å | 1.52Å | |
| C16 | C17 | doub | 1.40Å | 1.44Å | Aromatic |
| C16 | C26 | sing | 1.40Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.46Å | Aromatic |
| C18 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | N19 | sing | 1.40Å | 1.49Å | |
| C20 | N19 | sing | 1.46Å | 1.51Å | |
| C21 | N19 | sing | 1.35Å | 1.46Å | |
| C21 | O22 | sing | 1.34Å | 1.43Å | |
| C21 | O23 | doub | 1.22Å | 1.23Å | |
| C24 | C25 | sing | 1.39Å | 1.45Å | Aromatic |
| C24 | O22 | sing | 1.36Å | 1.46Å | |
| C25 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.46Å | Aromatic |
| C30 | N31 | sing | 1.39Å | 1.49Å | |
| C32 | N31 | sing | 1.46Å | 1.48Å | |
| C33 | C34 | trip | 1.17Å | 1.16Å | |
| C34 | C35 | sing | 1.47Å | 1.44Å | |
| C32 | C33 | sing | 1.47Å | 1.92Å | |
| C05 | H1 | sing | 1.08Å | 1.08Å | |
| C08 | H2 | sing | 1.08Å | 1.08Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N14 | 121.9° | 120.0° |
| C16 | C15 | O27 | 122.0° | 120.0° |
| C15 | C16 | C17 | 121.3° | 120.1° |
| C15 | C16 | C26 | 121.1° | 120.1° |
| N14 | C15 | O27 | 116.1° | 120.0° |
| C15 | N14 | C13 | 132.6° | 120.0° |
| C15 | N14 | H18 | 113.7° | 120.0° |
| C03 | C02 | N31 | 125.7° | 128.8° |
| C03 | C02 | O01 | 118.4° | 115.6° |
| C02 | C03 | C04 | 121.6° | 121.8° |
| C02 | C03 | C09 | 123.5° | 119.3° |
| N31 | C02 | O01 | 115.9° | 115.6° |
| C02 | N31 | C30 | 128.8° | 130.3° |
| C02 | N31 | C32 | 120.3° | 114.9° |
| C04 | C03 | C09 | 114.8° | 119.0° |
| C03 | C04 | C05 | 123.6° | 120.2° |
| C03 | C04 | S10 | 119.4° | 120.1° |
| C03 | C09 | C08 | 122.6° | 120.3° |
| C03 | C09 | H3 | 118.7° | 119.9° |
| C05 | C04 | S10 | 116.9° | 119.7° |
| C04 | C05 | C06 | 120.8° | 120.1° |
| C04 | C05 | H1 | 119.6° | 120.0° |
| C04 | S10 | C11 | 103.4° | 102.9° |
| C05 | C06 | C08 | 116.6° | 120.1° |
| C05 | C06 | F07 | 120.9° | 120.0° |
| C06 | C05 | H1 | 119.6° | 119.9° |
| C08 | C06 | F07 | 122.5° | 120.0° |
| C06 | C08 | C09 | 121.5° | 120.4° |
| C06 | C08 | H2 | 119.2° | 119.7° |
| C09 | C08 | H2 | 119.3° | 119.8° |
| C08 | C09 | H3 | 118.7° | 119.9° |
| C12 | C11 | C30 | 118.4° | 120.3° |
| C12 | C11 | S10 | 122.2° | 119.2° |
| C11 | C12 | C13 | 124.4° | 120.2° |
| C11 | C12 | H4 | 117.8° | 119.9° |
| C30 | C11 | S10 | 119.4° | 120.5° |
| C11 | C30 | C29 | 118.6° | 119.2° |
| C11 | C30 | N31 | 122.1° | 122.5° |
| C12 | C13 | C28 | 116.7° | 119.7° |
| C12 | C13 | N14 | 123.0° | 120.2° |
| C13 | C12 | H4 | 117.8° | 120.0° |
| C28 | C13 | N14 | 120.3° | 120.2° |
| C13 | C28 | C29 | 120.3° | 120.2° |
| C13 | C28 | H11 | 119.8° | 120.0° |
| C13 | N14 | H18 | 113.7° | 120.0° |
| C17 | C16 | C26 | 117.7° | 119.9° |
| C16 | C17 | C18 | 122.4° | 119.7° |
| C16 | C17 | H5 | 118.8° | 120.2° |
| C16 | C26 | C25 | 120.4° | 120.2° |
| C16 | C26 | H10 | 119.8° | 119.9° |
| C17 | C18 | C24 | 118.7° | 120.2° |
| C17 | C18 | N19 | 135.2° | 133.3° |
| C18 | C17 | H5 | 118.8° | 120.2° |
| C24 | C18 | N19 | 106.1° | 106.6° |
| C18 | C24 | C25 | 118.6° | 120.0° |
| C18 | C24 | O22 | 108.8° | 107.2° |
| C18 | N19 | C20 | 126.9° | 126.2° |
| C18 | N19 | C21 | 109.2° | 107.4° |
| C20 | N19 | C21 | 123.9° | 126.3° |
| N19 | C20 | H6 | 109.5° | 109.5° |
| N19 | C20 | H7 | 109.5° | 109.5° |
| N19 | C20 | H8 | 109.5° | 109.4° |
| N19 | C21 | O22 | 106.1° | 109.5° |
| N19 | C21 | O23 | 128.2° | 125.2° |
| O22 | C21 | O23 | 125.6° | 125.2° |
| C21 | O22 | C24 | 109.8° | 109.2° |
| C25 | C24 | O22 | 132.6° | 132.8° |
| C24 | C25 | C26 | 122.3° | 120.1° |
| C24 | C25 | H9 | 118.9° | 120.0° |
| C26 | C25 | H9 | 118.9° | 120.0° |
| C25 | C26 | H10 | 119.8° | 119.9° |
| C28 | C29 | C30 | 121.6° | 120.5° |
| C29 | C28 | H11 | 119.9° | 119.9° |
| C28 | C29 | H12 | 119.2° | 119.8° |
| C29 | C30 | N31 | 119.3° | 118.4° |
| C30 | C29 | H12 | 119.2° | 119.7° |
| C30 | N31 | C32 | 110.8° | 114.9° |
| N31 | C32 | C33 | 106.1° | 109.5° |
| N31 | C32 | H13 | 110.3° | 109.5° |
| N31 | C32 | H14 | 110.3° | 109.5° |
| C33 | C34 | C35 | 179.6° | 180.0° |
| C34 | C33 | C32 | 179.0° | 180.0° |
| C34 | C35 | H15 | 109.5° | 109.5° |
| C34 | C35 | H16 | 109.5° | 109.4° |
| C34 | C35 | H17 | 109.5° | 109.5° |
| C33 | C32 | H13 | 110.3° | 109.5° |
| C33 | C32 | H14 | 110.3° | 109.5° |
| H6 | C20 | H7 | 109.4° | 109.5° |
| H6 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H13 | C32 | H14 | 109.5° | 109.5° |
| H15 | C35 | H16 | 109.5° | 109.5° |
| H15 | C35 | H17 | 109.5° | 109.5° |
| H16 | C35 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N14 | O27 | 178.2° | 179.7° |
| C16 | C15 | N14 | C13 | 179.1° | 175.3° |
| C15 | C16 | C17 | C26 | 179.4° | 179.7° |
| C15 | C16 | C17 | C18 | 178.9° | 180.0° |
| C15 | C16 | C26 | C25 | 179.1° | 179.7° |
| C15 | C16 | C17 | H5 | 1.1° | 0.0° |
| C15 | C16 | C26 | H10 | 0.9° | 0.0° |
| C16 | C15 | N14 | H18 | 0.9° | 4.6° |
| C15 | N14 | C13 | C12 | 131.7° | 35.1° |
| C15 | N14 | C13 | C28 | 48.5° | 144.9° |
| C15 | N14 | C13 | H18 | 180.0° | 179.9° |
| N14 | C15 | C16 | C17 | 147.3° | 180.0° |
| N14 | C15 | C16 | C26 | 32.1° | 0.3° |
| O27 | C15 | N14 | C13 | 0.9° | 4.4° |
| O27 | C15 | C16 | C17 | 30.8° | 0.3° |
| O27 | C15 | C16 | C26 | 149.8° | 179.4° |
| O27 | C15 | N14 | H18 | 179.1° | 175.7° |
| C03 | C02 | N31 | O01 | 178.1° | 179.6° |
| C02 | C03 | C04 | C09 | 177.1° | 179.9° |
| C02 | C03 | C04 | C05 | 179.4° | 179.4° |
| C02 | C03 | C04 | S10 | 3.8° | 0.9° |
| C02 | C03 | C09 | C08 | 177.8° | 179.6° |
| C03 | C02 | N31 | C30 | 3.2° | 1.2° |
| C03 | C02 | N31 | C32 | 179.0° | 178.8° |
| C02 | C03 | C09 | H3 | 2.2° | 0.4° |
| N31 | C02 | C03 | C04 | 45.9° | 43.1° |
| N31 | C02 | C03 | C09 | 137.3° | 136.8° |
| C02 | N31 | C30 | C11 | 46.5° | 45.0° |
| C02 | N31 | C30 | C29 | 131.1° | 135.0° |
| C02 | N31 | C30 | C32 | 178.0° | 180.0° |
| C02 | N31 | C32 | C33 | 59.7° | 90.0° |
| C02 | N31 | C32 | H13 | 59.7° | 30.0° |
| C02 | N31 | C32 | H14 | 179.2° | 150.0° |
| O01 | C02 | C03 | C04 | 132.2° | 137.2° |
| O01 | C02 | C03 | C09 | 44.7° | 42.8° |
| O01 | C02 | N31 | C30 | 178.7° | 178.5° |
| O01 | C02 | N31 | C32 | 0.9° | 1.6° |
| C03 | C04 | C05 | S10 | 176.9° | 179.7° |
| C03 | C04 | C05 | C06 | 2.3° | 0.4° |
| C04 | C03 | C09 | C08 | 0.8° | 0.3° |
| C03 | C04 | S10 | C11 | 61.5° | 60.3° |
| C03 | C04 | C05 | H1 | 177.7° | 179.5° |
| C04 | C03 | C09 | H3 | 179.2° | 179.7° |
| C09 | C03 | C04 | C05 | 2.3° | 0.5° |
| C09 | C03 | C04 | S10 | 179.1° | 179.2° |
| C03 | C09 | C08 | C06 | 0.7° | 0.0° |
| C03 | C09 | C08 | H3 | 180.0° | 180.0° |
| C03 | C09 | C08 | H2 | 179.3° | 180.0° |
| C04 | C05 | C06 | H1 | 180.0° | 179.9° |
| C04 | C05 | C06 | C08 | 0.7° | 0.0° |
| C04 | C05 | C06 | F07 | 179.3° | 180.0° |
| C05 | C04 | S10 | C11 | 115.6° | 119.9° |
| S10 | C04 | C05 | C06 | 179.2° | 179.4° |
| C04 | S10 | C11 | C12 | 112.7° | 119.1° |
| C04 | S10 | C11 | C30 | 66.3° | 60.9° |
| S10 | C04 | C05 | H1 | 0.8° | 0.7° |
| C05 | C06 | C08 | F07 | 180.0° | 180.0° |
| C05 | C06 | C08 | C09 | 0.7° | 0.2° |
| C05 | C06 | C08 | H2 | 179.3° | 179.8° |
| C06 | C08 | C09 | H2 | 180.0° | 180.0° |
| C08 | C06 | C05 | H1 | 179.3° | 179.9° |
| C06 | C08 | C09 | H3 | 179.3° | 180.0° |
| F07 | C06 | C08 | C09 | 179.3° | 179.9° |
| F07 | C06 | C05 | H1 | 0.7° | 0.1° |
| F07 | C06 | C08 | H2 | 0.7° | 0.2° |
| C12 | C11 | C30 | S10 | 179.0° | 179.9° |
| C11 | C12 | C13 | H4 | 180.0° | 180.0° |
| C11 | C12 | C13 | C28 | 0.7° | 0.0° |
| C11 | C12 | C13 | N14 | 179.4° | 180.0° |
| C12 | C11 | C30 | C29 | 0.0° | 0.0° |
| C12 | C11 | C30 | N31 | 177.6° | 180.0° |
| C30 | C11 | C12 | C13 | 0.7° | 0.0° |
| C11 | C30 | C29 | C28 | 0.5° | 0.0° |
| C11 | C30 | C29 | N31 | 177.7° | 180.0° |
| C11 | C30 | N31 | C32 | 135.5° | 135.0° |
| C30 | C11 | C12 | H4 | 179.3° | 180.0° |
| C11 | C30 | C29 | H12 | 179.5° | 180.0° |
| S10 | C11 | C12 | C13 | 179.6° | 179.9° |
| S10 | C11 | C30 | C29 | 179.0° | 180.0° |
| S10 | C11 | C30 | N31 | 1.4° | 0.1° |
| S10 | C11 | C12 | H4 | 0.4° | 0.1° |
| C12 | C13 | C28 | N14 | 179.8° | 180.0° |
| C12 | C13 | C28 | C29 | 0.2° | 0.0° |
| C12 | C13 | C28 | H11 | 179.9° | 180.0° |
| C12 | C13 | N14 | H18 | 48.3° | 145.0° |
| C13 | C28 | C29 | H11 | 180.0° | 180.0° |
| C13 | C28 | C29 | C30 | 0.4° | 0.0° |
| C28 | C13 | C12 | H4 | 179.3° | 180.0° |
| C13 | C28 | C29 | H12 | 179.6° | 180.0° |
| C28 | C13 | N14 | H18 | 131.5° | 35.0° |
| N14 | C13 | C28 | C29 | 180.0° | 179.9° |
| N14 | C13 | C12 | H4 | 0.6° | 0.0° |
| N14 | C13 | C28 | H11 | 0.0° | 0.0° |
| C16 | C17 | C18 | H5 | 180.0° | 180.0° |
| C16 | C17 | C18 | C24 | 0.2° | 0.0° |
| C16 | C17 | C18 | N19 | 179.6° | 180.0° |
| C17 | C16 | C26 | C25 | 0.3° | 0.6° |
| C17 | C16 | C26 | H10 | 179.7° | 179.7° |
| C26 | C16 | C17 | C18 | 0.5° | 0.3° |
| C16 | C26 | C25 | C24 | 0.2° | 0.6° |
| C16 | C26 | C25 | H10 | 180.0° | 179.7° |
| C26 | C16 | C17 | H5 | 179.5° | 179.8° |
| C16 | C26 | C25 | H9 | 179.9° | 179.7° |
| C17 | C18 | C24 | N19 | 179.9° | 180.0° |
| C17 | C18 | N19 | C20 | 0.0° | 0.0° |
| C17 | C18 | N19 | C21 | 179.7° | 180.0° |
| C17 | C18 | C24 | C25 | 0.3° | 0.0° |
| C17 | C18 | C24 | O22 | 179.8° | 180.0° |
| C24 | C18 | N19 | C20 | 179.9° | 180.0° |
| C24 | C18 | N19 | C21 | 0.4° | 0.0° |
| C18 | C24 | O22 | C21 | 0.6° | 0.1° |
| C18 | C24 | C25 | O22 | 179.9° | 180.0° |
| C18 | C24 | C25 | C26 | 0.5° | 0.3° |
| C24 | C18 | C17 | H5 | 179.8° | 179.9° |
| C18 | C24 | C25 | H9 | 179.6° | 180.0° |
| C18 | N19 | C20 | C21 | 179.6° | 180.0° |
| C18 | N19 | C21 | O22 | 0.8° | 0.0° |
| C18 | N19 | C21 | O23 | 179.6° | 180.0° |
| N19 | C18 | C24 | C25 | 179.9° | 180.0° |
| N19 | C18 | C24 | O22 | 0.1° | 0.0° |
| N19 | C18 | C17 | H5 | 0.4° | 0.0° |
| C18 | N19 | C20 | H6 | 180.0° | 90.0° |
| C18 | N19 | C20 | H7 | 60.0° | 150.0° |
| C18 | N19 | C20 | H8 | 60.0° | 30.0° |
| C20 | N19 | C21 | O22 | 179.5° | 180.0° |
| C20 | N19 | C21 | O23 | 0.1° | 0.0° |
| N19 | C20 | H6 | H7 | 120.0° | 120.0° |
| N19 | C20 | H6 | H8 | 120.0° | 120.0° |
| N19 | C20 | H7 | H8 | 120.0° | 120.0° |
| N19 | C21 | O22 | O23 | 179.7° | 180.0° |
| N19 | C21 | O22 | C24 | 0.8° | 0.1° |
| C21 | N19 | C20 | H6 | 0.3° | 90.0° |
| C21 | N19 | C20 | H7 | 119.6° | 30.0° |
| C21 | N19 | C20 | H8 | 120.4° | 150.0° |
| C21 | O22 | C24 | C25 | 179.4° | 180.0° |
| O23 | C21 | O22 | C24 | 179.5° | 180.0° |
| C24 | C25 | C26 | H9 | 180.0° | 179.7° |
| C24 | C25 | C26 | H10 | 179.8° | 179.7° |
| O22 | C24 | C25 | C26 | 179.6° | 179.7° |
| O22 | C24 | C25 | H9 | 0.4° | 0.0° |
| C28 | C29 | C30 | H12 | 180.0° | 180.0° |
| C28 | C29 | C30 | N31 | 178.2° | 180.0° |
| C29 | C30 | N31 | C32 | 46.9° | 45.1° |
| C30 | C29 | C28 | H11 | 179.6° | 180.0° |
| C30 | N31 | C32 | C33 | 122.1° | 90.0° |
| N31 | C30 | C29 | H12 | 1.8° | 0.0° |
| C30 | N31 | C32 | H13 | 118.5° | 150.0° |
| C30 | N31 | C32 | H14 | 2.6° | 30.0° |
| N31 | C32 | C33 | C34 | 110.8° | 112.7° |
| N31 | C32 | C33 | H13 | 119.5° | 120.0° |
| N31 | C32 | C33 | H14 | 119.5° | 120.0° |
| N31 | C32 | H13 | H14 | 121.6° | 120.0° |
| C34 | C33 | C32 | H13 | 8.6° | 7.3° |
| C34 | C33 | C32 | H14 | 129.7° | 127.3° |
| C33 | C34 | C35 | H15 | 179.9° | 65.9° |
| C33 | C34 | C35 | H16 | 59.9° | 174.1° |
| C33 | C34 | C35 | H17 | 60.1° | 54.1° |
| C35 | C34 | C33 | C32 | 10.1° | 133.2° |
| C34 | C35 | H15 | H16 | 120.0° | 119.9° |
| C34 | C35 | H15 | H17 | 120.0° | 120.1° |
| C34 | C35 | H16 | H17 | 120.0° | 120.0° |
| C33 | C32 | H13 | H14 | 121.5° | 120.0° |
| H2 | C08 | C09 | H3 | 0.7° | 0.0° |
| H6 | C20 | H7 | H8 | 120.0° | 120.0° |
| H9 | C25 | C26 | H10 | 0.2° | 0.0° |
| H11 | C28 | C29 | H12 | 0.4° | 0.0° |
| H15 | C35 | H16 | H17 | 120.0° | 120.0° |
