Y93
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL18 | C17 | sing | 1.74Å | 1.77Å | |
| C17 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.32Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| N16 | N15 | doub | 1.28Å | 1.37Å | Aromatic |
| C21 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.32Å | 1.32Å | Aromatic |
| C14 | N13 | sing | 1.39Å | 1.44Å | |
| N13 | C12 | sing | 1.47Å | 1.45Å | |
| N13 | C22 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | N10 | sing | 1.47Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.45Å | |
| C09 | C08 | sing | 1.51Å | 1.54Å | |
| C09 | O25 | doub | 1.21Å | 1.19Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | C07 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | C03 | sing | 1.53Å | 1.56Å | |
| C01 | C03 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL18 | C17 | C20 | 120.7° | 120.0° |
| CL18 | C17 | N16 | 116.7° | 120.0° |
| C20 | C17 | N16 | 122.6° | 120.0° |
| C17 | C20 | C21 | 118.8° | 118.0° |
| C17 | C20 | H14 | 120.6° | 121.0° |
| C17 | N16 | N15 | 119.6° | 122.2° |
| C20 | C21 | C14 | 116.5° | 117.9° |
| C21 | C20 | H14 | 120.6° | 121.0° |
| C20 | C21 | H15 | 121.8° | 121.1° |
| N16 | N15 | C14 | 119.3° | 122.1° |
| C21 | C14 | N15 | 123.0° | 119.7° |
| C21 | C14 | N13 | 120.7° | 120.1° |
| C14 | C21 | H15 | 121.7° | 121.0° |
| N15 | C14 | N13 | 116.3° | 120.1° |
| C14 | N13 | C12 | 115.5° | 111.0° |
| C14 | N13 | C22 | 114.1° | 111.0° |
| C12 | N13 | C22 | 118.5° | 111.3° |
| N13 | C12 | C11 | 106.5° | 109.4° |
| N13 | C12 | H12 | 110.2° | 109.5° |
| N13 | C12 | H13 | 110.2° | 109.5° |
| N13 | C22 | C23 | 109.4° | 109.4° |
| N13 | C22 | H16 | 109.5° | 109.5° |
| N13 | C22 | H17 | 109.5° | 109.5° |
| C12 | C11 | N10 | 113.6° | 108.5° |
| C12 | C11 | H10 | 108.4° | 109.6° |
| C12 | C11 | H11 | 108.4° | 109.8° |
| C11 | C12 | H12 | 110.2° | 109.5° |
| C11 | C12 | H13 | 110.2° | 109.5° |
| C22 | C23 | C24 | 109.0° | 109.6° |
| C22 | C23 | N10 | 110.3° | 108.5° |
| C23 | C22 | H16 | 109.5° | 109.5° |
| C23 | C22 | H17 | 109.5° | 109.5° |
| C22 | C23 | H18 | 108.9° | 109.7° |
| C11 | N10 | C23 | 127.0° | 118.2° |
| C11 | N10 | C09 | 115.0° | 120.9° |
| N10 | C11 | H10 | 108.4° | 109.7° |
| N10 | C11 | H11 | 108.4° | 109.7° |
| C24 | C23 | N10 | 110.2° | 109.6° |
| C24 | C23 | H18 | 108.7° | 109.8° |
| C23 | C24 | H19 | 109.5° | 109.5° |
| C23 | C24 | H20 | 109.5° | 109.5° |
| C23 | C24 | H21 | 109.5° | 109.5° |
| C23 | N10 | C09 | 118.0° | 120.9° |
| N10 | C23 | H18 | 109.6° | 109.6° |
| N10 | C09 | C08 | 115.8° | 120.0° |
| N10 | C09 | O25 | 120.2° | 120.0° |
| C08 | C09 | O25 | 124.1° | 120.0° |
| C09 | C08 | C07 | 108.1° | 109.5° |
| C09 | C08 | H8 | 109.8° | 109.5° |
| C09 | C08 | H9 | 109.8° | 109.5° |
| C08 | C07 | C06 | 121.7° | 120.0° |
| C08 | C07 | C26 | 117.3° | 120.0° |
| C07 | C08 | H8 | 109.8° | 109.4° |
| C07 | C08 | H9 | 109.8° | 109.5° |
| C07 | C06 | C05 | 119.0° | 120.0° |
| C06 | C07 | C26 | 121.0° | 120.0° |
| C07 | C06 | H7 | 120.5° | 120.0° |
| C06 | C05 | C04 | 119.4° | 120.0° |
| C06 | C05 | H6 | 120.3° | 120.0° |
| C05 | C06 | H7 | 120.5° | 120.0° |
| C07 | C26 | C27 | 119.4° | 120.0° |
| C07 | C26 | H22 | 120.3° | 120.0° |
| C05 | C04 | C27 | 120.1° | 120.0° |
| C05 | C04 | C02 | 122.6° | 120.0° |
| C04 | C05 | H6 | 120.3° | 120.0° |
| C26 | C27 | C04 | 121.1° | 120.0° |
| C27 | C26 | H22 | 120.3° | 120.0° |
| C26 | C27 | H23 | 119.5° | 120.0° |
| C27 | C04 | C02 | 117.3° | 120.0° |
| C04 | C27 | H23 | 119.4° | 120.0° |
| C04 | C02 | C01 | 122.0° | 117.5° |
| C04 | C02 | C03 | 122.9° | 117.5° |
| C04 | C02 | H3 | 114.2° | 115.6° |
| C01 | C02 | C03 | 58.4° | 60.0° |
| C02 | C01 | C03 | 61.2° | 60.0° |
| C02 | C01 | H1 | 119.8° | 117.5° |
| C02 | C01 | H2 | 119.8° | 117.5° |
| C01 | C02 | H3 | 114.1° | 117.5° |
| C02 | C03 | C01 | 60.4° | 60.0° |
| C03 | C02 | H3 | 113.9° | 117.5° |
| C02 | C03 | H4 | 119.9° | 117.5° |
| C02 | C03 | H5 | 119.9° | 117.5° |
| C03 | C01 | H1 | 119.8° | 117.5° |
| C03 | C01 | H2 | 119.8° | 117.5° |
| C01 | C03 | H4 | 119.9° | 117.5° |
| C01 | C03 | H5 | 119.9° | 117.5° |
| H1 | C01 | H2 | 109.4° | 115.5° |
| H4 | C03 | H5 | 109.5° | 115.5° |
| H8 | C08 | H9 | 109.4° | 109.4° |
| H10 | C11 | H11 | 109.5° | 109.6° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H19 | C24 | H21 | 109.4° | 109.5° |
| H20 | C24 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL18 | C17 | C20 | N16 | 179.6° | 179.7° |
| CL18 | C17 | C20 | C21 | 179.9° | 180.0° |
| CL18 | C17 | N16 | N15 | 180.0° | 180.0° |
| CL18 | C17 | C20 | H14 | 0.0° | 0.3° |
| C17 | C20 | C21 | H14 | 180.0° | 179.8° |
| C20 | C17 | N16 | N15 | 0.4° | 0.3° |
| C17 | C20 | C21 | C14 | 0.0° | 0.1° |
| C17 | C20 | C21 | H15 | 180.0° | 180.0° |
| N16 | C17 | C20 | C21 | 0.3° | 0.2° |
| C17 | N16 | N15 | C14 | 0.1° | 0.0° |
| N16 | C17 | C20 | H14 | 179.7° | 180.0° |
| C20 | C21 | C14 | H15 | 180.0° | 180.0° |
| C20 | C21 | C14 | N15 | 0.3° | 0.4° |
| C20 | C21 | C14 | N13 | 179.8° | 180.0° |
| N16 | N15 | C14 | C21 | 0.3° | 0.3° |
| N16 | N15 | C14 | N13 | 179.7° | 180.0° |
| C21 | C14 | N15 | N13 | 179.5° | 179.7° |
| C21 | C14 | N13 | C12 | 24.9° | 56.0° |
| C21 | C14 | N13 | C22 | 167.4° | 179.7° |
| C14 | C21 | C20 | H14 | 180.0° | 179.7° |
| N15 | C14 | N13 | C12 | 154.6° | 123.7° |
| N15 | C14 | N13 | C22 | 12.1° | 0.7° |
| N15 | C14 | C21 | H15 | 179.7° | 179.7° |
| C14 | N13 | C12 | C22 | 140.8° | 124.2° |
| C14 | N13 | C12 | C11 | 158.6° | 172.7° |
| C14 | N13 | C22 | C23 | 154.9° | 172.7° |
| C14 | N13 | C12 | H12 | 39.1° | 67.3° |
| C14 | N13 | C12 | H13 | 81.8° | 52.7° |
| N13 | C14 | C21 | H15 | 0.2° | 0.0° |
| C14 | N13 | C22 | H16 | 85.1° | 52.8° |
| C14 | N13 | C22 | H17 | 34.9° | 67.3° |
| N13 | C12 | C11 | H12 | 119.5° | 119.9° |
| N13 | C12 | C11 | H13 | 119.5° | 120.0° |
| C12 | N13 | C22 | C23 | 63.8° | 63.1° |
| N13 | C12 | C11 | N10 | 36.8° | 53.8° |
| N13 | C12 | C11 | H10 | 83.9° | 65.9° |
| N13 | C12 | C11 | H11 | 157.4° | 173.6° |
| N13 | C12 | H12 | H13 | 121.3° | 120.1° |
| C12 | N13 | C22 | H16 | 56.2° | 176.9° |
| C12 | N13 | C22 | H17 | 176.2° | 56.9° |
| C22 | N13 | C12 | C11 | 60.6° | 63.1° |
| N13 | C22 | C23 | H16 | 120.0° | 120.0° |
| N13 | C22 | C23 | H17 | 120.0° | 120.0° |
| N13 | C22 | C23 | C24 | 81.8° | 65.9° |
| N13 | C22 | C23 | N10 | 39.4° | 53.8° |
| C22 | N13 | C12 | H12 | 179.9° | 56.9° |
| C22 | N13 | C12 | H13 | 58.9° | 176.9° |
| N13 | C22 | H16 | H17 | 120.0° | 120.1° |
| N13 | C22 | C23 | H18 | 159.8° | 173.5° |
| C12 | C11 | N10 | H10 | 120.6° | 119.7° |
| C12 | C11 | N10 | H11 | 120.6° | 119.9° |
| C12 | C11 | N10 | C23 | 25.3° | 51.2° |
| C12 | C11 | N10 | C09 | 154.8° | 128.9° |
| C12 | C11 | H10 | H11 | 118.1° | 120.6° |
| C11 | C12 | H12 | H13 | 121.4° | 120.1° |
| C22 | C23 | N10 | C11 | 26.1° | 51.2° |
| C22 | C23 | C24 | N10 | 121.2° | 119.0° |
| C22 | C23 | C24 | H18 | 118.6° | 120.5° |
| C22 | C23 | N10 | H18 | 119.9° | 119.7° |
| C22 | C23 | N10 | C09 | 154.0° | 128.9° |
| C23 | C22 | H16 | H17 | 120.1° | 120.0° |
| C22 | C23 | C24 | H19 | 180.0° | 60.0° |
| C22 | C23 | C24 | H20 | 60.0° | 180.0° |
| C22 | C23 | C24 | H21 | 60.0° | 60.0° |
| C11 | N10 | C23 | C24 | 94.3° | 68.5° |
| C11 | N10 | C23 | C09 | 179.9° | 180.0° |
| C11 | N10 | C09 | C08 | 0.2° | 0.0° |
| C11 | N10 | C09 | O25 | 179.3° | 180.0° |
| N10 | C11 | H10 | H11 | 118.1° | 120.4° |
| N10 | C11 | C12 | H12 | 156.3° | 66.1° |
| N10 | C11 | C12 | H13 | 82.8° | 173.8° |
| C11 | N10 | C23 | H18 | 146.0° | 170.9° |
| C24 | C23 | N10 | H18 | 119.7° | 120.6° |
| C24 | C23 | N10 | C09 | 85.5° | 111.4° |
| C24 | C23 | C22 | H16 | 158.2° | 54.1° |
| C24 | C23 | C22 | H17 | 38.2° | 174.1° |
| C23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C23 | C24 | H19 | H21 | 120.0° | 120.1° |
| C23 | C24 | H20 | H21 | 120.0° | 120.1° |
| C23 | N10 | C09 | C08 | 179.9° | 180.0° |
| C23 | N10 | C09 | O25 | 0.6° | 0.0° |
| C23 | N10 | C11 | H10 | 95.3° | 68.5° |
| C23 | N10 | C11 | H11 | 145.9° | 171.1° |
| N10 | C23 | C22 | H16 | 80.6° | 173.8° |
| N10 | C23 | C22 | H17 | 159.4° | 66.2° |
| N10 | C23 | C24 | H19 | 58.8° | 59.0° |
| N10 | C23 | C24 | H20 | 178.8° | 60.9° |
| N10 | C23 | C24 | H21 | 61.2° | 179.0° |
| N10 | C09 | C08 | O25 | 179.4° | 180.0° |
| N10 | C09 | C08 | C07 | 169.0° | 180.0° |
| N10 | C09 | C08 | H8 | 49.3° | 60.0° |
| N10 | C09 | C08 | H9 | 71.2° | 59.9° |
| C09 | N10 | C11 | H10 | 84.6° | 111.5° |
| C09 | N10 | C11 | H11 | 34.2° | 9.0° |
| C09 | N10 | C23 | H18 | 34.1° | 9.1° |
| C09 | C08 | C07 | H8 | 119.8° | 120.0° |
| C09 | C08 | C07 | H9 | 119.8° | 120.1° |
| C09 | C08 | C07 | C06 | 79.6° | 90.0° |
| C09 | C08 | C07 | C26 | 99.4° | 90.0° |
| C09 | C08 | H8 | H9 | 120.6° | 120.0° |
| O25 | C09 | C08 | C07 | 10.4° | 0.1° |
| O25 | C09 | C08 | H8 | 130.2° | 120.1° |
| O25 | C09 | C08 | H9 | 109.4° | 120.0° |
| C08 | C07 | C06 | C26 | 179.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.7° | 180.0° |
| C08 | C07 | C26 | C27 | 179.9° | 180.0° |
| C08 | C07 | C06 | H7 | 0.2° | 0.0° |
| C07 | C08 | H8 | H9 | 120.6° | 120.0° |
| C08 | C07 | C26 | H22 | 0.0° | 0.0° |
| C07 | C06 | C05 | H7 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.9° | 0.0° |
| C06 | C07 | C26 | C27 | 0.9° | 0.1° |
| C07 | C06 | C05 | H6 | 179.1° | 180.0° |
| C06 | C07 | C08 | H8 | 40.2° | 150.0° |
| C06 | C07 | C08 | H9 | 160.6° | 30.0° |
| C06 | C07 | C26 | H22 | 179.1° | 180.0° |
| C05 | C06 | C07 | C26 | 1.2° | 0.0° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C06 | C05 | C04 | C27 | 0.2° | 0.0° |
| C06 | C05 | C04 | C02 | 179.3° | 179.7° |
| C07 | C26 | C27 | H22 | 180.0° | 180.0° |
| C07 | C26 | C27 | C04 | 0.2° | 0.1° |
| C26 | C07 | C06 | H7 | 178.8° | 180.0° |
| C26 | C07 | C08 | H8 | 140.8° | 30.1° |
| C26 | C07 | C08 | H9 | 20.4° | 150.0° |
| C07 | C26 | C27 | H23 | 179.8° | 179.8° |
| C05 | C04 | C27 | C26 | 0.1° | 0.0° |
| C05 | C04 | C27 | C02 | 179.5° | 179.7° |
| C05 | C04 | C02 | C01 | 43.1° | 60.3° |
| C05 | C04 | C02 | C03 | 27.5° | 8.3° |
| C05 | C04 | C02 | H3 | 172.8° | 154.0° |
| C04 | C05 | C06 | H7 | 179.1° | 180.0° |
| C05 | C04 | C27 | H23 | 179.8° | 179.7° |
| C26 | C27 | C04 | H23 | 180.0° | 179.7° |
| C26 | C27 | C04 | C02 | 179.7° | 179.7° |
| C27 | C04 | C02 | C01 | 137.4° | 120.0° |
| C27 | C04 | C02 | C03 | 152.0° | 171.4° |
| C27 | C04 | C02 | H3 | 6.8° | 25.7° |
| C27 | C04 | C05 | H6 | 179.8° | 180.0° |
| C04 | C27 | C26 | H22 | 179.8° | 180.0° |
| C04 | C02 | C01 | C03 | 111.6° | 107.5° |
| C04 | C02 | C01 | H3 | 144.2° | 145.1° |
| C04 | C02 | C03 | H3 | 145.3° | 145.0° |
| C04 | C02 | C01 | H1 | 1.7° | 0.0° |
| C04 | C02 | C01 | H2 | 138.6° | 145.0° |
| C04 | C02 | C03 | H4 | 140.3° | 0.0° |
| C04 | C02 | C03 | H5 | 0.5° | 145.0° |
| C02 | C04 | C05 | H6 | 0.7° | 0.3° |
| C02 | C04 | C27 | H23 | 0.3° | 0.0° |
| C01 | C02 | C03 | H3 | 104.6° | 107.5° |
| C02 | C01 | C03 | H1 | 109.8° | 107.5° |
| C02 | C01 | C03 | H2 | 109.8° | 107.5° |
| C02 | C01 | H1 | H2 | 144.1° | 145.7° |
| C01 | C02 | C03 | H4 | 109.6° | 107.5° |
| C01 | C02 | C03 | H5 | 109.6° | 107.5° |
| C02 | C03 | H4 | H5 | 144.5° | 145.7° |
| C03 | C01 | H1 | H2 | 144.1° | 145.7° |
| C01 | C03 | H4 | H5 | 144.5° | 145.7° |
| H1 | C01 | C02 | H3 | 145.9° | 145.0° |
| H1 | C01 | C03 | H4 | 140.6° | 0.0° |
| H1 | C01 | C03 | H5 | 0.2° | 145.0° |
| H2 | C01 | C02 | H3 | 5.5° | 0.0° |
| H2 | C01 | C03 | H4 | 0.2° | 144.9° |
| H2 | C01 | C03 | H5 | 140.6° | 0.0° |
| H3 | C02 | C03 | H4 | 5.0° | 145.0° |
| H3 | C02 | C03 | H5 | 145.8° | 0.0° |
| H6 | C05 | C06 | H7 | 0.9° | 0.0° |
| H10 | C11 | C12 | H12 | 35.7° | 174.2° |
| H10 | C11 | C12 | H13 | 156.6° | 54.1° |
| H11 | C11 | C12 | H12 | 83.1° | 53.7° |
| H11 | C11 | C12 | H13 | 37.9° | 66.4° |
| H14 | C20 | C21 | H15 | 0.0° | 0.3° |
| H16 | C22 | C23 | H18 | 39.8° | 66.5° |
| H17 | C22 | C23 | H18 | 80.3° | 53.5° |
| H18 | C23 | C24 | H19 | 61.5° | 179.5° |
| H18 | C23 | C24 | H20 | 58.6° | 59.5° |
| H18 | C23 | C24 | H21 | 178.6° | 60.5° |
| H19 | C24 | H20 | H21 | 120.0° | 119.9° |
| H22 | C26 | C27 | H23 | 0.2° | 0.3° |
