7QX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C13 | sing | 1.53Å | 1.53Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | O16 | sing | 1.43Å | 1.40Å | |
| O15 | C14 | sing | 1.43Å | 1.40Å | |
| C02 | C11 | sing | 1.50Å | 1.55Å | |
| C02 | N03 | sing | 1.34Å | 1.47Å | |
| C11 | N10 | sing | 1.46Å | 1.47Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.56Å | |
| C07 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| N10 | C09 | sing | 1.34Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C04 | C09 | sing | 1.50Å | 1.55Å | |
| C09 | O18 | doub | 1.21Å | 1.18Å | |
| 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 | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| N03 | H19 | sing | 0.97Å | 1.00Å | |
| N10 | H20 | sing | 0.97Å | 1.00Å | |
| O15 | H21 | sing | 0.97Å | 0.95Å | |
| O16 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C13 | C12 | 108.2° | 109.5° |
| C17 | C13 | C14 | 110.9° | 109.5° |
| C17 | C13 | O16 | 109.8° | 109.5° |
| C13 | C17 | H16 | 109.5° | 109.5° |
| C13 | C17 | H17 | 109.5° | 109.4° |
| C13 | C17 | H18 | 109.5° | 109.5° |
| O01 | C02 | C11 | 120.1° | 118.7° |
| O01 | C02 | N03 | 120.9° | 118.6° |
| C13 | C12 | C11 | 112.7° | 109.5° |
| C12 | C13 | C14 | 104.8° | 109.4° |
| C12 | C13 | O16 | 111.9° | 109.5° |
| C13 | C12 | H12 | 108.7° | 109.5° |
| C13 | C12 | H13 | 108.7° | 109.5° |
| C12 | C11 | C02 | 106.0° | 109.1° |
| C12 | C11 | N10 | 108.7° | 109.2° |
| C12 | C11 | H11 | 107.0° | 109.1° |
| C11 | C12 | H12 | 108.7° | 109.4° |
| C11 | C12 | H13 | 108.6° | 109.5° |
| C14 | C13 | O16 | 111.2° | 109.5° |
| C13 | C14 | O15 | 109.3° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | O16 | H22 | 109.5° | 114.0° |
| O15 | C14 | H14 | 109.5° | 109.5° |
| O15 | C14 | H15 | 109.5° | 109.5° |
| C14 | O15 | H21 | 109.5° | 114.0° |
| C11 | C02 | N03 | 119.0° | 122.7° |
| C02 | C11 | N10 | 119.7° | 111.3° |
| C02 | C11 | H11 | 106.9° | 109.1° |
| C02 | N03 | C04 | 120.8° | 122.8° |
| C02 | N03 | H19 | 119.6° | 118.5° |
| C11 | N10 | C09 | 120.6° | 122.9° |
| N10 | C11 | H11 | 107.9° | 109.1° |
| C11 | N10 | H20 | 119.7° | 118.6° |
| N03 | C04 | C05 | 108.9° | 109.1° |
| N03 | C04 | C09 | 119.4° | 111.3° |
| N03 | C04 | H1 | 106.6° | 109.1° |
| C04 | N03 | H19 | 119.6° | 118.6° |
| C08 | C07 | C05 | 111.1° | 109.5° |
| C08 | C07 | H6 | 109.1° | 109.5° |
| C08 | C07 | H7 | 109.1° | 109.5° |
| C07 | C08 | H8 | 109.5° | 109.5° |
| C07 | C08 | H9 | 109.5° | 109.4° |
| C07 | C08 | H10 | 109.5° | 109.5° |
| C07 | C05 | C06 | 109.5° | 109.5° |
| C07 | C05 | C04 | 110.1° | 109.5° |
| C07 | C05 | H2 | 109.3° | 109.5° |
| C05 | C07 | H6 | 109.1° | 109.5° |
| C05 | C07 | H7 | 109.1° | 109.5° |
| C06 | C05 | C04 | 108.0° | 109.5° |
| C06 | C05 | H2 | 109.9° | 109.5° |
| C05 | C06 | H3 | 109.5° | 109.4° |
| C05 | C06 | H4 | 109.5° | 109.5° |
| C05 | C06 | H5 | 109.5° | 109.5° |
| N10 | C09 | C04 | 119.3° | 122.7° |
| N10 | C09 | O18 | 120.1° | 118.7° |
| C09 | N10 | H20 | 119.7° | 118.6° |
| C05 | C04 | C09 | 109.2° | 109.1° |
| C05 | C04 | H1 | 106.2° | 109.1° |
| C04 | C05 | H2 | 110.0° | 109.5° |
| C04 | C09 | O18 | 120.6° | 118.7° |
| C09 | C04 | H1 | 105.7° | 109.1° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H3 | C06 | H5 | 109.5° | 109.5° |
| H4 | C06 | H5 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.5° |
| H9 | C08 | H10 | 109.5° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.4° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C13 | C12 | C14 | 118.3° | 120.0° |
| C17 | C13 | C12 | O16 | 121.1° | 120.0° |
| C17 | C13 | C12 | C11 | 102.6° | 55.0° |
| C17 | C13 | C14 | O16 | 122.5° | 120.0° |
| C17 | C13 | C14 | O15 | 52.9° | 60.0° |
| C17 | C13 | C12 | H12 | 17.9° | 175.0° |
| C17 | C13 | C12 | H13 | 137.0° | 65.0° |
| C17 | C13 | C14 | H14 | 172.9° | 180.0° |
| C17 | C13 | C14 | H15 | 67.1° | 60.0° |
| C13 | C17 | H16 | H17 | 120.0° | 120.0° |
| C13 | C17 | H16 | H18 | 120.0° | 120.0° |
| C13 | C17 | H17 | H18 | 120.0° | 120.0° |
| C17 | C13 | O16 | H22 | 180.0° | 180.0° |
| O01 | C02 | C11 | C12 | 65.7° | 79.5° |
| O01 | C02 | C11 | N03 | 178.8° | 179.8° |
| O01 | C02 | C11 | N10 | 171.1° | 160.0° |
| O01 | C02 | N03 | C04 | 179.6° | 179.8° |
| O01 | C02 | C11 | H11 | 48.2° | 39.6° |
| O01 | C02 | N03 | H19 | 0.4° | 0.1° |
| C13 | C12 | C11 | H12 | 120.5° | 120.0° |
| C13 | C12 | C11 | H13 | 120.5° | 120.1° |
| C12 | C13 | C14 | O16 | 121.1° | 120.1° |
| C12 | C13 | C14 | O15 | 169.4° | 180.0° |
| C13 | C12 | C11 | C02 | 163.9° | 175.0° |
| C13 | C12 | C11 | N10 | 66.2° | 63.2° |
| C13 | C12 | C11 | H11 | 50.1° | 55.9° |
| C13 | C12 | H12 | H13 | 118.5° | 120.1° |
| C12 | C13 | C14 | H14 | 70.6° | 60.1° |
| C12 | C13 | C14 | H15 | 49.4° | 60.0° |
| C12 | C13 | C17 | H16 | 180.0° | 60.0° |
| C12 | C13 | C17 | H17 | 60.0° | 180.0° |
| C12 | C13 | C17 | H18 | 60.0° | 60.0° |
| C12 | C13 | O16 | H22 | 59.9° | 60.0° |
| C11 | C12 | C13 | C14 | 139.1° | 175.0° |
| C11 | C12 | C13 | O16 | 18.5° | 65.0° |
| C12 | C11 | C02 | N10 | 123.2° | 120.5° |
| C12 | C11 | C02 | H11 | 113.9° | 119.1° |
| C12 | C11 | C02 | N03 | 113.1° | 100.8° |
| C12 | C11 | N10 | H11 | 115.7° | 119.1° |
| C12 | C11 | N10 | C09 | 112.9° | 101.0° |
| C11 | C12 | H12 | H13 | 118.5° | 120.0° |
| C12 | C11 | N10 | H20 | 67.1° | 79.0° |
| C13 | C14 | O15 | H14 | 120.0° | 119.9° |
| C13 | C14 | O15 | H15 | 120.0° | 120.0° |
| C14 | C13 | C12 | H12 | 100.4° | 65.1° |
| C14 | C13 | C12 | H13 | 18.6° | 55.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C14 | C13 | C17 | H16 | 65.6° | 180.0° |
| C14 | C13 | C17 | H17 | 54.4° | 60.0° |
| C14 | C13 | C17 | H18 | 174.3° | 59.9° |
| C13 | C14 | O15 | H21 | 180.0° | 180.0° |
| C14 | C13 | O16 | H22 | 56.9° | 60.0° |
| O16 | C13 | C14 | O15 | 69.5° | 60.0° |
| O16 | C13 | C12 | H12 | 139.0° | 55.0° |
| O16 | C13 | C12 | H13 | 101.9° | 175.0° |
| O16 | C13 | C14 | H14 | 50.5° | 60.0° |
| O16 | C13 | C14 | H15 | 170.5° | 180.0° |
| O16 | C13 | C17 | H16 | 57.6° | 60.0° |
| O16 | C13 | C17 | H17 | 177.6° | 60.0° |
| O16 | C13 | C17 | H18 | 62.4° | 180.0° |
| O15 | C14 | H14 | H15 | 120.1° | 120.0° |
| C02 | C11 | N10 | H11 | 122.5° | 120.4° |
| C11 | C02 | N03 | C04 | 1.6° | 0.0° |
| C02 | C11 | N10 | C09 | 9.0° | 19.5° |
| C02 | C11 | C12 | H12 | 43.4° | 65.0° |
| C02 | C11 | C12 | H13 | 75.6° | 54.9° |
| C11 | C02 | N03 | H19 | 178.4° | 179.9° |
| C02 | C11 | N10 | H20 | 171.0° | 160.5° |
| N03 | C02 | C11 | N10 | 10.1° | 19.7° |
| C02 | N03 | C04 | H19 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 118.7° | 101.0° |
| C02 | N03 | C04 | C09 | 7.6° | 19.4° |
| C02 | N03 | C04 | H1 | 127.1° | 139.9° |
| N03 | C02 | C11 | H11 | 133.0° | 140.2° |
| C11 | N10 | C09 | H20 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 0.3° | 0.1° |
| C11 | N10 | C09 | O18 | 179.3° | 179.9° |
| N10 | C11 | C12 | H12 | 173.3° | 56.8° |
| N10 | C11 | C12 | H13 | 54.3° | 176.7° |
| N03 | C04 | C05 | C07 | 72.7° | 58.2° |
| N03 | C04 | C05 | C06 | 46.8° | 178.2° |
| N03 | C04 | C09 | N10 | 8.7° | 19.7° |
| N03 | C04 | C05 | C09 | 132.0° | 121.8° |
| N03 | C04 | C05 | H1 | 114.4° | 119.1° |
| N03 | C04 | C09 | H1 | 119.9° | 120.4° |
| N03 | C04 | C09 | O18 | 170.9° | 160.3° |
| N03 | C04 | C05 | H2 | 166.7° | 61.8° |
| C08 | C07 | C05 | H6 | 120.2° | 120.0° |
| C08 | C07 | C05 | H7 | 120.3° | 120.0° |
| C08 | C07 | C05 | C06 | 66.4° | 65.0° |
| C08 | C07 | C05 | C04 | 175.0° | 175.0° |
| C08 | C07 | C05 | H2 | 54.0° | 55.0° |
| C08 | C07 | H6 | H7 | 119.3° | 120.0° |
| C07 | C08 | H8 | H9 | 120.0° | 120.0° |
| C07 | C08 | H8 | H10 | 120.0° | 120.1° |
| C07 | C08 | H9 | H10 | 120.0° | 120.0° |
| C07 | C05 | C06 | C04 | 119.9° | 120.0° |
| C07 | C05 | C06 | H2 | 120.1° | 120.0° |
| C07 | C05 | C04 | H2 | 120.6° | 120.0° |
| C07 | C05 | C04 | C09 | 59.3° | 180.0° |
| C07 | C05 | C04 | H1 | 172.8° | 60.9° |
| C07 | C05 | C06 | H3 | 180.0° | 60.0° |
| C07 | C05 | C06 | H4 | 60.0° | 60.0° |
| C07 | C05 | C06 | H5 | 60.0° | 180.0° |
| C05 | C07 | H6 | H7 | 119.2° | 120.0° |
| C05 | C07 | C08 | H8 | 180.0° | 180.0° |
| C05 | C07 | C08 | H9 | 60.0° | 60.0° |
| C05 | C07 | C08 | H10 | 60.0° | 60.0° |
| C06 | C05 | C04 | H2 | 119.9° | 120.0° |
| C06 | C05 | C04 | C09 | 178.8° | 60.0° |
| C06 | C05 | C04 | H1 | 67.7° | 59.1° |
| C05 | C06 | H3 | H4 | 120.0° | 120.0° |
| C05 | C06 | H3 | H5 | 120.0° | 120.0° |
| C05 | C06 | H4 | H5 | 120.0° | 120.0° |
| C06 | C05 | C07 | H6 | 173.3° | 55.0° |
| C06 | C05 | C07 | H7 | 53.8° | 175.0° |
| N10 | C09 | C04 | C05 | 117.5° | 100.8° |
| N10 | C09 | C04 | O18 | 179.6° | 180.0° |
| N10 | C09 | C04 | H1 | 128.7° | 140.1° |
| C09 | N10 | C11 | H11 | 131.4° | 140.0° |
| C05 | C04 | C09 | H1 | 113.8° | 119.1° |
| C05 | C04 | C09 | O18 | 62.9° | 79.3° |
| C04 | C05 | C06 | H3 | 60.1° | 60.0° |
| C04 | C05 | C06 | H4 | 59.9° | 180.0° |
| C04 | C05 | C06 | H5 | 179.9° | 60.0° |
| C04 | C05 | C07 | H6 | 54.8° | 65.0° |
| C04 | C05 | C07 | H7 | 64.7° | 55.0° |
| C05 | C04 | N03 | H19 | 61.3° | 79.1° |
| C09 | C04 | C05 | H2 | 61.3° | 60.0° |
| C09 | C04 | N03 | H19 | 172.4° | 160.5° |
| C04 | C09 | N10 | H20 | 179.7° | 179.9° |
| O18 | C09 | C04 | H1 | 50.9° | 39.9° |
| O18 | C09 | N10 | H20 | 0.7° | 0.0° |
| H1 | C04 | C05 | H2 | 52.2° | 179.1° |
| H1 | C04 | N03 | H19 | 52.9° | 40.0° |
| H2 | C05 | C06 | H3 | 59.9° | 180.0° |
| H2 | C05 | C06 | H4 | 179.9° | 59.9° |
| H2 | C05 | C06 | H5 | 60.1° | 60.0° |
| H2 | C05 | C07 | H6 | 66.2° | 175.0° |
| H2 | C05 | C07 | H7 | 174.3° | 65.0° |
| H3 | C06 | H4 | H5 | 120.0° | 120.0° |
| H6 | C07 | C08 | H8 | 59.8° | 60.0° |
| H6 | C07 | C08 | H9 | 60.3° | 180.0° |
| H6 | C07 | C08 | H10 | 179.7° | 60.0° |
| H7 | C07 | C08 | H8 | 59.8° | 60.0° |
| H7 | C07 | C08 | H9 | 179.8° | 60.0° |
| H7 | C07 | C08 | H10 | 60.2° | 179.9° |
| H8 | C08 | H9 | H10 | 119.9° | 120.0° |
| H11 | C11 | C12 | H12 | 70.4° | 175.9° |
| H11 | C11 | C12 | H13 | 170.5° | 64.1° |
| H11 | C11 | N10 | H20 | 48.6° | 40.1° |
| H14 | C14 | O15 | H21 | 60.0° | 60.0° |
| H15 | C14 | O15 | H21 | 60.0° | 60.0° |
| H16 | C17 | H17 | H18 | 119.9° | 120.1° |
