7PK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C11 | sing | 1.53Å | 1.53Å | |
| C17 | C11 | sing | 1.53Å | 1.52Å | |
| C17 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | O12 | sing | 1.43Å | 1.41Å | |
| O12 | C08 | sing | 1.43Å | 1.41Å | |
| C10 | O16 | sing | 1.43Å | 1.41Å | |
| C10 | C09 | sing | 1.52Å | 1.54Å | |
| O14 | C03 | sing | 1.43Å | 1.41Å | |
| N19 | C20 | sing | 1.47Å | 1.45Å | |
| N19 | C02 | sing | 1.47Å | 1.46Å | |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C08 | O07 | sing | 1.43Å | 1.41Å | |
| C09 | O18 | doub | 1.21Å | 1.18Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| O07 | C04 | sing | 1.43Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C01 | C06 | sing | 1.53Å | 1.53Å | |
| C01 | O13 | sing | 1.43Å | 1.41Å | |
| O15 | C05 | sing | 1.43Å | 1.41Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | N21 | sing | 1.47Å | 1.46Å | |
| N21 | C22 | sing | 1.47Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| N19 | H21 | sing | 1.01Å | 1.00Å | |
| N21 | H23 | sing | 1.01Å | 1.00Å | |
| O13 | H25 | sing | 0.97Å | 0.95Å | |
| O14 | H26 | sing | 0.97Å | 0.95Å | |
| O15 | H27 | sing | 0.97Å | 0.95Å | |
| O16 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C11 | C17 | 109.5° | 109.4° |
| C23 | C11 | O12 | 110.4° | 109.4° |
| C23 | C11 | H9 | 108.4° | 109.4° |
| C11 | C23 | H18 | 109.5° | 109.5° |
| C11 | C23 | H19 | 109.5° | 109.5° |
| C11 | C23 | H20 | 109.4° | 109.5° |
| C11 | C17 | C10 | 108.3° | 109.1° |
| C17 | C11 | O12 | 110.0° | 109.8° |
| C17 | C11 | H9 | 108.5° | 109.4° |
| C11 | C17 | H10 | 109.7° | 109.5° |
| C11 | C17 | H11 | 109.8° | 109.5° |
| C17 | C10 | O16 | 109.1° | 109.8° |
| C17 | C10 | C09 | 109.5° | 107.9° |
| C17 | C10 | H8 | 108.4° | 109.8° |
| C10 | C17 | H10 | 109.8° | 109.6° |
| C10 | C17 | H11 | 109.7° | 109.6° |
| C11 | O12 | C08 | 112.2° | 114.1° |
| O12 | C11 | H9 | 110.0° | 109.4° |
| O12 | C08 | C09 | 107.7° | 108.4° |
| O12 | C08 | O07 | 110.9° | 109.7° |
| O12 | C08 | H7 | 111.4° | 109.7° |
| O16 | C10 | C09 | 111.4° | 109.8° |
| O16 | C10 | H8 | 110.0° | 109.8° |
| C10 | O16 | H28 | 109.5° | 114.0° |
| C10 | C09 | C08 | 122.0° | 117.8° |
| C10 | C09 | O18 | 119.9° | 121.1° |
| C09 | C10 | H8 | 108.3° | 109.8° |
| O14 | C03 | C02 | 108.5° | 109.5° |
| O14 | C03 | C04 | 114.8° | 109.5° |
| O14 | C03 | H3 | 106.4° | 109.5° |
| C03 | O14 | H26 | 109.5° | 114.0° |
| C20 | N19 | C02 | 112.3° | 111.0° |
| N19 | C20 | H12 | 109.5° | 109.5° |
| N19 | C20 | H13 | 109.5° | 109.5° |
| N19 | C20 | H14 | 109.5° | 109.5° |
| C20 | N19 | H21 | 108.8° | 111.0° |
| N19 | C02 | C03 | 107.2° | 109.4° |
| N19 | C02 | C01 | 110.9° | 109.5° |
| N19 | C02 | H2 | 109.7° | 109.4° |
| C02 | N19 | H21 | 108.7° | 111.0° |
| C09 | C08 | O07 | 105.6° | 109.7° |
| C08 | C09 | O18 | 118.0° | 121.1° |
| C09 | C08 | H7 | 109.6° | 109.7° |
| C08 | O07 | C04 | 126.1° | 114.0° |
| O07 | C08 | H7 | 111.4° | 109.7° |
| C02 | C03 | C04 | 116.2° | 109.4° |
| C03 | C02 | C01 | 111.6° | 109.5° |
| C03 | C02 | H2 | 108.7° | 109.5° |
| C02 | C03 | H3 | 105.0° | 109.5° |
| C03 | C04 | O07 | 117.0° | 109.4° |
| C03 | C04 | C05 | 118.9° | 109.5° |
| C04 | C03 | H3 | 104.8° | 109.5° |
| C03 | C04 | H4 | 100.6° | 109.4° |
| C02 | C01 | C06 | 109.8° | 109.4° |
| C02 | C01 | O13 | 111.3° | 109.5° |
| C02 | C01 | H1 | 107.3° | 109.5° |
| C01 | C02 | H2 | 108.7° | 109.5° |
| O07 | C04 | C05 | 113.6° | 109.5° |
| O07 | C04 | H4 | 101.5° | 109.5° |
| C04 | C05 | O15 | 111.7° | 109.5° |
| C04 | C05 | C06 | 117.6° | 109.5° |
| C05 | C04 | H4 | 100.6° | 109.5° |
| C04 | C05 | H5 | 105.0° | 109.4° |
| C06 | C01 | O13 | 112.1° | 109.5° |
| C01 | C06 | C05 | 113.9° | 109.5° |
| C01 | C06 | N21 | 107.6° | 109.5° |
| C06 | C01 | H1 | 107.3° | 109.5° |
| C01 | C06 | H6 | 108.2° | 109.5° |
| O13 | C01 | H1 | 108.9° | 109.5° |
| C01 | O13 | H25 | 109.5° | 114.0° |
| O15 | C05 | C06 | 109.7° | 109.5° |
| O15 | C05 | H5 | 106.8° | 109.5° |
| C05 | O15 | H27 | 109.5° | 114.0° |
| C05 | C06 | N21 | 109.7° | 109.4° |
| C06 | C05 | H5 | 105.3° | 109.5° |
| C05 | C06 | H6 | 108.1° | 109.5° |
| C06 | N21 | C22 | 112.1° | 111.0° |
| N21 | C06 | H6 | 109.2° | 109.4° |
| C06 | N21 | H23 | 108.8° | 111.0° |
| N21 | C22 | H15 | 109.5° | 109.4° |
| N21 | C22 | H16 | 109.5° | 109.5° |
| N21 | C22 | H17 | 109.5° | 109.4° |
| C22 | N21 | H23 | 108.8° | 111.0° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H12 | C20 | H13 | 109.4° | 109.4° |
| H12 | C20 | H14 | 109.5° | 109.5° |
| H13 | C20 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.6° |
| H15 | C22 | H17 | 109.5° | 109.5° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H20 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C11 | C17 | O12 | 121.5° | 120.1° |
| C23 | C11 | C17 | H9 | 118.1° | 119.9° |
| C23 | C11 | C17 | C10 | 173.2° | 178.6° |
| C23 | C11 | O12 | H9 | 119.5° | 119.9° |
| C23 | C11 | O12 | C08 | 164.9° | 175.2° |
| C23 | C11 | C17 | H10 | 67.0° | 58.7° |
| C23 | C11 | C17 | H11 | 53.4° | 61.5° |
| C11 | C23 | H18 | H19 | 120.0° | 120.0° |
| C11 | C23 | H18 | H20 | 120.0° | 120.0° |
| C11 | C23 | H19 | H20 | 120.0° | 120.0° |
| C11 | C17 | C10 | H10 | 119.8° | 119.8° |
| C11 | C17 | C10 | H11 | 119.8° | 119.9° |
| C17 | C11 | O12 | H9 | 119.5° | 120.1° |
| C17 | C11 | O12 | C08 | 74.1° | 64.7° |
| C11 | C17 | C10 | O16 | 165.0° | 171.5° |
| C11 | C17 | C10 | C09 | 42.8° | 51.9° |
| C11 | C17 | C10 | H8 | 75.2° | 67.7° |
| C11 | C17 | H10 | H11 | 120.6° | 120.1° |
| C17 | C11 | C23 | H18 | 180.0° | 179.7° |
| C17 | C11 | C23 | H19 | 60.0° | 59.6° |
| C17 | C11 | C23 | H20 | 60.0° | 60.3° |
| C10 | C17 | C11 | O12 | 65.3° | 61.3° |
| C17 | C10 | O16 | C09 | 121.0° | 118.5° |
| C17 | C10 | O16 | H8 | 118.8° | 120.8° |
| C17 | C10 | C09 | H8 | 118.1° | 119.7° |
| C17 | C10 | C09 | C08 | 32.4° | 48.4° |
| C17 | C10 | C09 | O18 | 147.0° | 131.6° |
| C10 | C17 | C11 | H9 | 55.1° | 58.7° |
| C10 | C17 | H10 | H11 | 120.5° | 120.3° |
| C17 | C10 | O16 | H28 | 132.1° | 178.5° |
| C11 | O12 | C08 | C09 | 54.7° | 55.6° |
| C11 | O12 | C08 | O07 | 169.8° | 175.3° |
| C11 | O12 | C08 | H7 | 65.4° | 64.1° |
| O12 | C11 | C17 | H10 | 54.5° | 178.8° |
| O12 | C11 | C17 | H11 | 174.9° | 58.6° |
| O12 | C11 | C23 | H18 | 58.7° | 60.0° |
| O12 | C11 | C23 | H19 | 178.7° | 180.0° |
| O12 | C11 | C23 | H20 | 61.3° | 60.0° |
| O12 | C08 | C09 | C10 | 36.3° | 48.6° |
| O12 | C08 | C09 | O07 | 118.6° | 119.7° |
| O12 | C08 | C09 | H7 | 121.3° | 119.7° |
| O12 | C08 | O07 | H7 | 124.7° | 120.6° |
| O12 | C08 | C09 | O18 | 143.0° | 131.4° |
| O12 | C08 | O07 | C04 | 80.8° | 66.1° |
| C08 | O12 | C11 | H9 | 45.4° | 55.3° |
| O16 | C10 | C09 | H8 | 121.2° | 120.7° |
| O16 | C10 | C09 | C08 | 153.1° | 168.0° |
| O16 | C10 | C09 | O18 | 26.2° | 11.9° |
| O16 | C10 | C17 | H10 | 45.2° | 68.6° |
| O16 | C10 | C17 | H11 | 75.2° | 51.6° |
| C10 | C09 | C08 | O18 | 179.4° | 180.0° |
| C10 | C09 | C08 | O07 | 154.9° | 168.3° |
| C10 | C09 | C08 | H7 | 85.0° | 71.1° |
| C09 | C10 | C17 | H10 | 76.9° | 171.7° |
| C09 | C10 | C17 | H11 | 162.6° | 68.0° |
| C09 | C10 | O16 | H28 | 11.1° | 60.0° |
| O14 | C03 | C02 | N19 | 70.2° | 60.0° |
| O14 | C03 | C02 | C04 | 131.2° | 120.0° |
| O14 | C03 | C02 | H3 | 113.5° | 120.1° |
| O14 | C03 | C04 | H3 | 116.4° | 120.0° |
| O14 | C03 | C02 | C01 | 168.2° | 180.0° |
| O14 | C03 | C04 | O07 | 12.1° | 60.0° |
| O14 | C03 | C04 | C05 | 130.6° | 180.0° |
| O14 | C03 | C02 | H2 | 48.3° | 59.9° |
| O14 | C03 | C04 | H4 | 121.0° | 60.0° |
| C20 | N19 | C02 | H21 | 120.4° | 123.9° |
| C20 | N19 | C02 | C03 | 171.8° | 85.0° |
| C20 | N19 | C02 | C01 | 49.7° | 155.0° |
| C20 | N19 | C02 | H2 | 70.4° | 35.0° |
| N19 | C20 | H12 | H13 | 120.0° | 120.0° |
| N19 | C20 | H12 | H14 | 120.0° | 120.0° |
| N19 | C20 | H13 | H14 | 120.0° | 120.0° |
| N19 | C02 | C03 | C01 | 121.6° | 120.0° |
| N19 | C02 | C03 | H2 | 118.5° | 119.9° |
| N19 | C02 | C03 | C04 | 158.7° | 180.0° |
| N19 | C02 | C01 | H2 | 120.7° | 120.0° |
| N19 | C02 | C01 | C06 | 175.9° | 180.0° |
| N19 | C02 | C01 | O13 | 59.4° | 60.0° |
| N19 | C02 | C01 | H1 | 59.6° | 60.0° |
| N19 | C02 | C03 | H3 | 43.4° | 60.0° |
| C02 | N19 | C20 | H12 | 180.0° | 180.0° |
| C02 | N19 | C20 | H13 | 60.0° | 60.0° |
| C02 | N19 | C20 | H14 | 60.0° | 60.0° |
| C09 | C08 | O07 | H7 | 118.9° | 120.5° |
| C09 | C08 | O07 | C04 | 162.7° | 175.0° |
| C08 | C09 | C10 | H8 | 85.7° | 71.2° |
| O07 | C08 | C09 | O18 | 24.5° | 11.6° |
| C08 | O07 | C04 | C03 | 61.3° | 150.0° |
| C08 | O07 | C04 | C05 | 83.3° | 90.0° |
| C08 | O07 | C04 | H4 | 169.6° | 30.0° |
| O18 | C09 | C08 | H7 | 95.6° | 108.9° |
| O18 | C09 | C10 | H8 | 95.0° | 108.8° |
| C02 | C03 | C04 | H3 | 115.4° | 120.0° |
| C03 | C02 | C01 | H2 | 119.9° | 120.1° |
| C02 | C03 | C04 | O07 | 140.3° | 60.0° |
| C02 | C03 | C04 | C05 | 2.4° | 60.0° |
| C03 | C02 | C01 | C06 | 64.7° | 60.0° |
| C03 | C02 | C01 | O13 | 60.0° | 60.0° |
| C03 | C02 | C01 | H1 | 179.1° | 180.0° |
| C02 | C03 | C04 | H4 | 110.9° | 180.0° |
| C03 | C02 | N19 | H21 | 51.3° | 151.1° |
| C02 | C03 | O14 | H26 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 37.0° | 60.0° |
| C03 | C04 | O07 | C05 | 144.6° | 120.0° |
| C03 | C04 | O07 | H4 | 108.3° | 119.9° |
| C03 | C04 | C05 | H4 | 108.5° | 120.0° |
| C03 | C04 | C05 | O15 | 122.4° | 180.0° |
| C03 | C04 | C05 | C06 | 5.6° | 60.0° |
| C04 | C03 | C02 | H2 | 82.9° | 60.1° |
| C03 | C04 | C05 | H5 | 122.2° | 60.0° |
| C04 | C03 | O14 | H26 | 48.1° | 60.0° |
| C02 | C01 | C06 | O13 | 124.2° | 120.0° |
| C02 | C01 | C06 | H1 | 116.3° | 120.0° |
| C02 | C01 | O13 | H1 | 118.1° | 120.0° |
| C02 | C01 | C06 | C05 | 56.6° | 60.0° |
| C02 | C01 | C06 | N21 | 178.4° | 180.0° |
| C01 | C02 | C03 | H3 | 78.3° | 60.0° |
| C02 | C01 | C06 | H6 | 63.7° | 60.0° |
| C01 | C02 | N19 | H21 | 70.7° | 31.1° |
| C02 | C01 | O13 | H25 | 180.0° | 60.0° |
| O07 | C04 | C05 | H4 | 107.7° | 120.0° |
| O07 | C04 | C05 | O15 | 21.4° | 60.0° |
| O07 | C04 | C05 | C06 | 149.5° | 60.0° |
| O07 | C04 | C03 | H3 | 104.3° | 180.0° |
| O07 | C04 | C05 | H5 | 93.9° | 180.0° |
| C04 | O07 | C08 | H7 | 43.9° | 54.5° |
| C04 | C05 | C06 | C01 | 21.5° | 60.0° |
| C04 | C05 | O15 | C06 | 132.1° | 120.0° |
| C04 | C05 | O15 | H5 | 114.3° | 120.0° |
| C04 | C05 | C06 | H5 | 116.5° | 119.9° |
| C04 | C05 | C06 | N21 | 142.2° | 180.0° |
| C05 | C04 | C03 | H3 | 113.0° | 60.0° |
| C04 | C05 | C06 | H6 | 98.8° | 60.1° |
| C04 | C05 | O15 | H27 | 180.0° | 60.0° |
| C06 | C01 | O13 | H1 | 118.6° | 120.0° |
| C01 | C06 | C05 | O15 | 150.5° | 180.0° |
| C01 | C06 | C05 | N21 | 120.7° | 120.0° |
| C01 | C06 | C05 | H6 | 120.3° | 120.1° |
| C01 | C06 | N21 | H6 | 117.2° | 120.0° |
| C01 | C06 | N21 | C22 | 164.3° | 155.0° |
| C06 | C01 | C02 | H2 | 55.2° | 60.0° |
| C01 | C06 | C05 | H5 | 95.0° | 59.9° |
| C01 | C06 | N21 | H23 | 43.9° | 31.1° |
| C06 | C01 | O13 | H25 | 56.6° | 180.0° |
| O13 | C01 | C06 | C05 | 67.7° | 60.0° |
| O13 | C01 | C06 | N21 | 54.2° | 60.0° |
| O13 | C01 | C02 | H2 | 179.9° | 180.0° |
| O13 | C01 | C06 | H6 | 172.1° | 180.0° |
| O15 | C05 | C06 | H5 | 114.6° | 120.0° |
| O15 | C05 | C06 | N21 | 88.8° | 60.0° |
| O15 | C05 | C04 | H4 | 129.1° | 60.0° |
| O15 | C05 | C06 | H6 | 30.2° | 60.0° |
| C05 | C06 | N21 | H6 | 118.3° | 119.9° |
| C05 | C06 | N21 | C22 | 71.2° | 85.0° |
| C05 | C06 | C01 | H1 | 172.8° | 180.0° |
| C06 | C05 | C04 | H4 | 102.9° | 180.0° |
| C05 | C06 | N21 | H23 | 168.4° | 151.1° |
| C06 | C05 | O15 | H27 | 47.9° | 180.0° |
| C06 | N21 | C22 | H23 | 120.4° | 123.9° |
| N21 | C06 | C01 | H1 | 65.3° | 60.0° |
| N21 | C06 | C05 | H5 | 25.8° | 60.1° |
| C06 | N21 | C22 | H15 | 180.0° | 180.0° |
| C06 | N21 | C22 | H16 | 60.0° | 60.0° |
| C06 | N21 | C22 | H17 | 60.0° | 60.0° |
| C22 | N21 | C06 | H6 | 47.1° | 35.0° |
| N21 | C22 | H15 | H16 | 120.0° | 120.0° |
| N21 | C22 | H15 | H17 | 120.0° | 119.9° |
| N21 | C22 | H16 | H17 | 120.0° | 119.9° |
| H1 | C01 | C02 | H2 | 61.0° | 59.9° |
| H1 | C01 | C06 | H6 | 52.5° | 60.0° |
| H1 | C01 | O13 | H25 | 62.0° | 60.0° |
| H2 | C02 | C03 | H3 | 161.8° | 180.0° |
| H2 | C02 | N19 | H21 | 169.2° | 88.9° |
| H3 | C03 | C04 | H4 | 4.5° | 60.1° |
| H3 | C03 | O14 | H26 | 67.4° | 60.0° |
| H4 | C04 | C05 | H5 | 13.7° | 60.0° |
| H5 | C05 | C06 | H6 | 144.7° | NaN° |
| H5 | C05 | O15 | H27 | 65.7° | 60.0° |
| H6 | C06 | N21 | H23 | 73.3° | 89.0° |
| H8 | C10 | C17 | H10 | 165.0° | 52.1° |
| H8 | C10 | C17 | H11 | 44.6° | 172.4° |
| H8 | C10 | O16 | H28 | 109.1° | 60.7° |
| H9 | C11 | C17 | H10 | 174.9° | 61.2° |
| H9 | C11 | C17 | H11 | 64.7° | 178.6° |
| H9 | C11 | C23 | H18 | 61.8° | 59.8° |
| H9 | C11 | C23 | H19 | 58.2° | 60.2° |
| H9 | C11 | C23 | H20 | 178.2° | 179.9° |
| H12 | C20 | H13 | H14 | 120.0° | 120.0° |
| H12 | C20 | N19 | H21 | 59.6° | 56.0° |
| H13 | C20 | N19 | H21 | 60.4° | 64.0° |
| H14 | C20 | N19 | H21 | 179.6° | 176.1° |
| H15 | C22 | H16 | H17 | 120.0° | 120.1° |
| H15 | C22 | N21 | H23 | 59.6° | 56.0° |
| H16 | C22 | N21 | H23 | 179.6° | 176.1° |
| H17 | C22 | N21 | H23 | 60.4° | 63.9° |
| H18 | C23 | H19 | H20 | 120.0° | 120.0° |
