Z6V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | N15 | sing | 1.46Å | 1.46Å | |
| C14 | N15 | sing | 1.35Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | N19 | doub | 1.32Å | 1.32Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| N19 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| N15 | N17 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.45Å | |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O09 | sing | 1.36Å | 1.38Å | |
| N17 | C18 | doub | 1.31Å | 1.31Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C23 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.48Å | 1.46Å | |
| C04 | N05 | doub | 1.33Å | 1.34Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C06 | N05 | sing | 1.32Å | 1.32Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.50Å | |
| C02 | C03 | sing | 1.42Å | 1.44Å | |
| C02 | N31 | sing | 1.35Å | 1.41Å | |
| C03 | C24 | doub | 1.39Å | 1.35Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| N31 | C26 | sing | 1.36Å | 1.36Å | |
| C24 | N25 | sing | 1.33Å | 1.35Å | |
| C26 | N25 | doub | 1.32Å | 1.31Å | |
| C26 | N27 | sing | 1.37Å | 1.34Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | 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 | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| N27 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N15 | C14 | 129.7° | 125.9° |
| C16 | N15 | N17 | 119.1° | 125.9° |
| N15 | C16 | H11 | 109.5° | 109.5° |
| N15 | C16 | H12 | 109.5° | 109.5° |
| N15 | C16 | H13 | 109.5° | 109.4° |
| N15 | C14 | C13 | 107.8° | 107.6° |
| C14 | N15 | N17 | 111.2° | 108.2° |
| N15 | C14 | H10 | 126.1° | 126.1° |
| C14 | C13 | C12 | 124.9° | 126.3° |
| C14 | C13 | C18 | 104.5° | 107.6° |
| C13 | C14 | H10 | 126.1° | 126.2° |
| N19 | C20 | C21 | 123.5° | 120.9° |
| C20 | N19 | C12 | 119.0° | 121.8° |
| N19 | C20 | H1 | 118.3° | 119.6° |
| C20 | C21 | C10 | 117.4° | 119.3° |
| C21 | C20 | H1 | 118.3° | 119.5° |
| C20 | C21 | H2 | 121.3° | 120.3° |
| N19 | C12 | C13 | 116.3° | 119.7° |
| N19 | C12 | C11 | 121.5° | 120.6° |
| N15 | N17 | C18 | 104.8° | 108.6° |
| C21 | C10 | C11 | 119.8° | 118.4° |
| C21 | C10 | O09 | 124.2° | 120.8° |
| C10 | C21 | H2 | 121.3° | 120.4° |
| C23 | C22 | C08 | 119.7° | 118.5° |
| C22 | C23 | C04 | 118.2° | 119.1° |
| C23 | C22 | H3 | 120.1° | 120.7° |
| C22 | C23 | H15 | 120.9° | 120.5° |
| C22 | C08 | O09 | 121.2° | 120.4° |
| C22 | C08 | C06 | 119.2° | 119.3° |
| C08 | C22 | H3 | 120.1° | 120.7° |
| C13 | C12 | C11 | 122.2° | 119.7° |
| C12 | C13 | C18 | 130.6° | 126.2° |
| C12 | C11 | C10 | 118.9° | 119.0° |
| C12 | C11 | H9 | 120.5° | 120.5° |
| C13 | C18 | N17 | 111.7° | 108.0° |
| C13 | C18 | H14 | 124.1° | 126.0° |
| C11 | C10 | O09 | 116.1° | 120.8° |
| C10 | C11 | H9 | 120.5° | 120.5° |
| C10 | O09 | C08 | 123.3° | 118.0° |
| N17 | C18 | H14 | 124.2° | 126.0° |
| O09 | C08 | C06 | 119.5° | 120.4° |
| C23 | C04 | C03 | 124.7° | 119.6° |
| C23 | C04 | N05 | 120.4° | 120.7° |
| C04 | C23 | H15 | 120.9° | 120.5° |
| C08 | C06 | N05 | 120.1° | 120.8° |
| C08 | C06 | C07 | 120.9° | 119.6° |
| C03 | C04 | N05 | 114.9° | 119.7° |
| C04 | C03 | C02 | 121.8° | 120.7° |
| C04 | C03 | C24 | 120.0° | 120.8° |
| C04 | N05 | C06 | 122.3° | 121.6° |
| O01 | C02 | C03 | 127.2° | 120.7° |
| O01 | C02 | N31 | 118.1° | 120.8° |
| N05 | C06 | C07 | 119.0° | 119.6° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.4° | 109.5° |
| C03 | C02 | N31 | 114.7° | 118.5° |
| C02 | C03 | C24 | 118.2° | 118.5° |
| C02 | N31 | C32 | 116.9° | 120.0° |
| C02 | N31 | C26 | 122.2° | 120.0° |
| C03 | C24 | N25 | 124.8° | 119.8° |
| C03 | C24 | H4 | 117.6° | 120.1° |
| C32 | N31 | C26 | 120.9° | 120.0° |
| N31 | C32 | H22 | 109.5° | 109.5° |
| N31 | C32 | H23 | 109.5° | 109.5° |
| N31 | C32 | H24 | 109.5° | 109.4° |
| N31 | C26 | N25 | 122.2° | 121.6° |
| N31 | C26 | N27 | 118.1° | 119.2° |
| C24 | N25 | C26 | 118.0° | 121.5° |
| N25 | C24 | H4 | 117.6° | 120.1° |
| N25 | C26 | N27 | 119.7° | 119.2° |
| C26 | N27 | C28 | 122.8° | 120.0° |
| C26 | N27 | H25 | 118.6° | 120.0° |
| N27 | C28 | C29 | 107.2° | 109.5° |
| N27 | C28 | C30 | 110.3° | 109.5° |
| N27 | C28 | H5 | 109.9° | 109.4° |
| C28 | N27 | H25 | 118.6° | 120.0° |
| C29 | C28 | C30 | 111.2° | 109.5° |
| C29 | C28 | H5 | 109.2° | 109.4° |
| C28 | C29 | H16 | 109.5° | 109.5° |
| C28 | C29 | H17 | 109.4° | 109.5° |
| C28 | C29 | H18 | 109.5° | 109.4° |
| C30 | C28 | H5 | 109.0° | 109.5° |
| C28 | C30 | H19 | 109.5° | 109.5° |
| C28 | C30 | H20 | 109.5° | 109.4° |
| C28 | C30 | H21 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H11 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.5° |
| H16 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.4° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.5° | 109.5° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
| H22 | C32 | H24 | 109.5° | 109.5° |
| H23 | C32 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N15 | C14 | N17 | 179.8° | 179.8° |
| C16 | N15 | C14 | C13 | 179.5° | 180.0° |
| C16 | N15 | N17 | C18 | 179.8° | 179.8° |
| C16 | N15 | C14 | H10 | 0.5° | 0.0° |
| N15 | C16 | H11 | H12 | 120.0° | 120.0° |
| N15 | C16 | H11 | H13 | 120.0° | 120.0° |
| N15 | C16 | H12 | H13 | 120.0° | 120.0° |
| N15 | C14 | C13 | H10 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 179.5° | 179.7° |
| N15 | C14 | C13 | C18 | 0.4° | 0.0° |
| C14 | N15 | N17 | C18 | 0.0° | 0.4° |
| C14 | N15 | C16 | H11 | 179.8° | 90.0° |
| C14 | N15 | C16 | H12 | 59.8° | 150.0° |
| C14 | N15 | C16 | H13 | 60.2° | 29.9° |
| C14 | C13 | C12 | N19 | 10.0° | 5.3° |
| C13 | C14 | N15 | N17 | 0.3° | 0.2° |
| C14 | C13 | C12 | C18 | 178.7° | 179.7° |
| C14 | C13 | C12 | C11 | 171.7° | 174.7° |
| C14 | C13 | C18 | N17 | 0.4° | 0.3° |
| C14 | C13 | C18 | H14 | 179.6° | 179.8° |
| N19 | C20 | C21 | H1 | 180.0° | 179.2° |
| N19 | C20 | C21 | C10 | 0.0° | 0.6° |
| C20 | N19 | C12 | C13 | 179.2° | 179.5° |
| C20 | N19 | C12 | C11 | 0.8° | 0.5° |
| N19 | C20 | C21 | H2 | 180.0° | 179.4° |
| C21 | C20 | N19 | C12 | 0.4° | 0.8° |
| C20 | C21 | C10 | H2 | 180.0° | 180.0° |
| C20 | C21 | C10 | C11 | 0.1° | 0.0° |
| C20 | C21 | C10 | O09 | 179.8° | 179.8° |
| N19 | C12 | C13 | C11 | 178.3° | 180.0° |
| N19 | C12 | C13 | C18 | 168.8° | 175.1° |
| N19 | C12 | C11 | C10 | 0.9° | 0.0° |
| C12 | N19 | C20 | H1 | 179.7° | 180.0° |
| N19 | C12 | C11 | H9 | 179.1° | 180.0° |
| N15 | N17 | C18 | C13 | 0.3° | 0.4° |
| N17 | N15 | C14 | H10 | 179.7° | 179.8° |
| N17 | N15 | C16 | H11 | 0.0° | 90.2° |
| N17 | N15 | C16 | H12 | 120.0° | 29.8° |
| N17 | N15 | C16 | H13 | 120.0° | 149.8° |
| N15 | N17 | C18 | H14 | 179.8° | 179.6° |
| C21 | C10 | C11 | C12 | 0.5° | 0.2° |
| C21 | C10 | C11 | O09 | 179.8° | 179.8° |
| C21 | C10 | O09 | C08 | 22.5° | 68.0° |
| C10 | C21 | C20 | H1 | 179.9° | 179.7° |
| C21 | C10 | C11 | H9 | 179.5° | 179.7° |
| C23 | C22 | C08 | H3 | 180.0° | 179.7° |
| C23 | C22 | C08 | O09 | 179.4° | 180.0° |
| C22 | C23 | C04 | H15 | 180.0° | 180.0° |
| C23 | C22 | C08 | C06 | 0.3° | 0.0° |
| C22 | C23 | C04 | C03 | 178.8° | 180.0° |
| C22 | C23 | C04 | N05 | 1.2° | 0.0° |
| C22 | C08 | O09 | C10 | 104.1° | 6.1° |
| C22 | C08 | O09 | C06 | 179.1° | 179.9° |
| C08 | C22 | C23 | C04 | 0.4° | 0.0° |
| C22 | C08 | C06 | N05 | 0.3° | 0.1° |
| C22 | C08 | C06 | C07 | 179.4° | 180.0° |
| C08 | C22 | C23 | H15 | 179.6° | 180.0° |
| C13 | C12 | C11 | C10 | 179.2° | 180.0° |
| C12 | C13 | C18 | N17 | 179.4° | 180.0° |
| C13 | C12 | C11 | H9 | 0.8° | 0.0° |
| C12 | C13 | C14 | H10 | 0.5° | 0.3° |
| C12 | C13 | C18 | H14 | 0.6° | 0.0° |
| C11 | C12 | C13 | C18 | 9.6° | 4.9° |
| C12 | C11 | C10 | H9 | 180.0° | 180.0° |
| C12 | C11 | C10 | O09 | 179.7° | 180.0° |
| C13 | C18 | N17 | H14 | 180.0° | 180.0° |
| C18 | C13 | C14 | H10 | 179.6° | 180.0° |
| C11 | C10 | O09 | C08 | 157.3° | 112.2° |
| C11 | C10 | C21 | H2 | 179.9° | 180.0° |
| C10 | O09 | C08 | C06 | 76.9° | 173.8° |
| O09 | C10 | C21 | H2 | 0.1° | 0.3° |
| O09 | C10 | C11 | H9 | 0.3° | 0.0° |
| O09 | C08 | C06 | N05 | 179.4° | 180.0° |
| O09 | C08 | C06 | C07 | 0.3° | 0.0° |
| O09 | C08 | C22 | H3 | 0.6° | 0.2° |
| C23 | C04 | C03 | N05 | 177.7° | 180.0° |
| C23 | C04 | N05 | C06 | 1.2° | 0.0° |
| C23 | C04 | C03 | C02 | 55.7° | 180.0° |
| C23 | C04 | C03 | C24 | 127.4° | 0.0° |
| C04 | C23 | C22 | H3 | 179.6° | 179.7° |
| C08 | C06 | N05 | C04 | 0.4° | 0.1° |
| C08 | C06 | N05 | C07 | 179.8° | 180.0° |
| C06 | C08 | C22 | H3 | 179.7° | 179.7° |
| C08 | C06 | C07 | H6 | 179.7° | 90.0° |
| C08 | C06 | C07 | H7 | 59.8° | 30.1° |
| C08 | C06 | C07 | H8 | 60.2° | 150.1° |
| C04 | C03 | C02 | O01 | 2.2° | 0.0° |
| C03 | C04 | N05 | C06 | 179.0° | 180.0° |
| C04 | C03 | C02 | C24 | 176.9° | 179.9° |
| C04 | C03 | C02 | N31 | 178.1° | 179.4° |
| C04 | C03 | C24 | N25 | 178.4° | 180.0° |
| C04 | C03 | C24 | H4 | 1.6° | 0.3° |
| C03 | C04 | C23 | H15 | 1.3° | 0.0° |
| C04 | N05 | C06 | C07 | 179.8° | 180.0° |
| N05 | C04 | C03 | C02 | 122.0° | 0.0° |
| N05 | C04 | C03 | C24 | 54.9° | 180.0° |
| N05 | C04 | C23 | H15 | 178.8° | 180.0° |
| O01 | C02 | C03 | N31 | 179.8° | 179.5° |
| O01 | C02 | C03 | C24 | 179.1° | 180.0° |
| O01 | C02 | N31 | C32 | 0.2° | 0.6° |
| O01 | C02 | N31 | C26 | 179.6° | 179.7° |
| N05 | C06 | C07 | H6 | 0.0° | 90.0° |
| N05 | C06 | C07 | H7 | 120.0° | 150.0° |
| N05 | C06 | C07 | H8 | 120.0° | 30.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C03 | C02 | N31 | C32 | 179.6° | 180.0° |
| C03 | C02 | N31 | C26 | 0.6° | 0.8° |
| C02 | C03 | C24 | N25 | 1.4° | 0.0° |
| C02 | C03 | C24 | H4 | 178.6° | 179.7° |
| N31 | C02 | C03 | C24 | 1.1° | 0.5° |
| C02 | N31 | C32 | C26 | 179.8° | 179.2° |
| C02 | N31 | C26 | N25 | 0.2° | 0.6° |
| C02 | N31 | C26 | N27 | 179.8° | 179.4° |
| C02 | N31 | C32 | H22 | 180.0° | 0.0° |
| C02 | N31 | C32 | H23 | 60.0° | 120.0° |
| C02 | N31 | C32 | H24 | 60.0° | 120.0° |
| C03 | C24 | N25 | H4 | 180.0° | 179.7° |
| C03 | C24 | N25 | C26 | 1.0° | 0.3° |
| C32 | N31 | C26 | N25 | 180.0° | 179.7° |
| C32 | N31 | C26 | N27 | 0.4° | 0.3° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H24 | 120.0° | 120.0° |
| N31 | C32 | H23 | H24 | 120.0° | 120.0° |
| N31 | C26 | N25 | C24 | 0.4° | 0.0° |
| N31 | C26 | N25 | N27 | 179.5° | 180.0° |
| N31 | C26 | N27 | C28 | 179.8° | 180.0° |
| C26 | N31 | C32 | H22 | 0.2° | 179.1° |
| C26 | N31 | C32 | H23 | 120.2° | 59.1° |
| C26 | N31 | C32 | H24 | 119.9° | 60.9° |
| N31 | C26 | N27 | H25 | 0.2° | 0.1° |
| C24 | N25 | C26 | N27 | 179.9° | 180.0° |
| N25 | C26 | N27 | C28 | 0.7° | 0.0° |
| C26 | N25 | C24 | H4 | 179.0° | 180.0° |
| N25 | C26 | N27 | H25 | 179.3° | 179.9° |
| C26 | N27 | C28 | H25 | 180.0° | 179.9° |
| C26 | N27 | C28 | C29 | 163.3° | 85.0° |
| C26 | N27 | C28 | C30 | 75.4° | 155.0° |
| C26 | N27 | C28 | H5 | 44.8° | 35.0° |
| N27 | C28 | C29 | C30 | 120.7° | 120.0° |
| N27 | C28 | C29 | H5 | 119.0° | 119.9° |
| N27 | C28 | C30 | H5 | 120.8° | 120.0° |
| N27 | C28 | C29 | H16 | 180.0° | 180.0° |
| N27 | C28 | C29 | H17 | 60.0° | 59.9° |
| N27 | C28 | C29 | H18 | 60.0° | 60.0° |
| N27 | C28 | C30 | H19 | 180.0° | 60.0° |
| N27 | C28 | C30 | H20 | 60.0° | 60.0° |
| N27 | C28 | C30 | H21 | 60.0° | 180.0° |
| C29 | C28 | C30 | H5 | 120.4° | 120.0° |
| C28 | C29 | H16 | H17 | 120.0° | 120.0° |
| C28 | C29 | H16 | H18 | 120.0° | 120.0° |
| C28 | C29 | H17 | H18 | 120.0° | 119.9° |
| C29 | C28 | C30 | H19 | 61.2° | 60.0° |
| C29 | C28 | C30 | H20 | 58.8° | 180.0° |
| C29 | C28 | C30 | H21 | 178.8° | 60.0° |
| C29 | C28 | N27 | H25 | 16.7° | 95.0° |
| C30 | C28 | C29 | H16 | 59.3° | 60.0° |
| C30 | C28 | C29 | H17 | 179.3° | 180.0° |
| C30 | C28 | C29 | H18 | 60.7° | 60.0° |
| C28 | C30 | H19 | H20 | 120.0° | 120.0° |
| C28 | C30 | H19 | H21 | 120.0° | 120.0° |
| C28 | C30 | H20 | H21 | 120.0° | 120.0° |
| C30 | C28 | N27 | H25 | 104.5° | 25.0° |
| H1 | C20 | C21 | H2 | 0.0° | 0.2° |
| H3 | C22 | C23 | H15 | 0.4° | 0.3° |
| H5 | C28 | C29 | H16 | 61.0° | 60.1° |
| H5 | C28 | C29 | H17 | 59.0° | 60.0° |
| H5 | C28 | C29 | H18 | 179.0° | 179.9° |
| H5 | C28 | C30 | H19 | 59.3° | 180.0° |
| H5 | C28 | C30 | H20 | 179.2° | 60.0° |
| H5 | C28 | C30 | H21 | 60.8° | 60.0° |
| H5 | C28 | N27 | H25 | 135.2° | 145.1° |
| H6 | C07 | H7 | H8 | 120.0° | 119.9° |
| H11 | C16 | H12 | H13 | 120.0° | 120.0° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
| H19 | C30 | H20 | H21 | 120.0° | 120.0° |
| H22 | C32 | H23 | H24 | 120.0° | 120.0° |
