WMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N18 | C17 | sing | 1.37Å | 1.40Å | |
| O01 | C02 | sing | 1.44Å | 1.41Å | |
| O01 | C11 | sing | 1.45Å | 1.40Å | |
| N19 | C17 | doub | 1.31Å | 1.35Å | |
| N19 | C02 | sing | 1.49Å | 1.46Å | |
| C17 | N16 | sing | 1.38Å | 1.36Å | |
| C02 | C03 | sing | 1.56Å | 1.53Å | |
| O13 | C12 | sing | 1.43Å | 1.35Å | |
| C11 | C12 | sing | 1.54Å | 1.54Å | |
| C11 | C10 | sing | 1.55Å | 1.54Å | |
| N16 | C10 | sing | 1.46Å | 1.48Å | |
| C12 | O15 | sing | 1.43Å | 1.44Å | |
| C12 | O14 | sing | 1.44Å | 1.42Å | |
| C10 | C03 | sing | 1.55Å | 1.55Å | |
| C10 | C09 | sing | 1.50Å | 1.55Å | |
| O15 | C04 | sing | 1.43Å | 1.40Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| O14 | C08 | sing | 1.43Å | 1.39Å | |
| C04 | C05 | sing | 1.53Å | 1.49Å | |
| C09 | C08 | sing | 1.54Å | 1.57Å | |
| C09 | O20 | sing | 1.43Å | 1.37Å | |
| C08 | C05 | sing | 1.53Å | 1.50Å | |
| C05 | O21 | sing | 1.43Å | 1.38Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| O07 | C06 | sing | 1.43Å | 1.39Å | |
| C02 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| N16 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| N18 | H11 | sing | 0.97Å | 1.00Å | |
| O07 | H12 | sing | 0.97Å | 0.95Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| O20 | H14 | sing | 0.97Å | 0.95Å | |
| O21 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C17 | N19 | 117.0° | 119.5° |
| N18 | C17 | N16 | 122.0° | 119.5° |
| C17 | N18 | H10 | 120.0° | 120.1° |
| C17 | N18 | H11 | 120.0° | 120.0° |
| C02 | O01 | C11 | 109.3° | 109.3° |
| O01 | C02 | N19 | 102.9° | 106.2° |
| O01 | C02 | C03 | 106.8° | 105.9° |
| O01 | C02 | H1 | 114.4° | 113.8° |
| O01 | C11 | C12 | 103.4° | 106.8° |
| O01 | C11 | C10 | 104.7° | 102.6° |
| O01 | C11 | H8 | 115.5° | 113.3° |
| C17 | N19 | C02 | 118.0° | 117.6° |
| N19 | C17 | N16 | 121.0° | 121.0° |
| N19 | C02 | C03 | 106.2° | 103.4° |
| N19 | C02 | H1 | 113.4° | 113.3° |
| C17 | N16 | C10 | 119.4° | 119.7° |
| C17 | N16 | H9 | 120.3° | 120.2° |
| C02 | C03 | C10 | 97.9° | 97.6° |
| C02 | C03 | C04 | 106.3° | 108.6° |
| C03 | C02 | H1 | 112.3° | 113.3° |
| C02 | C03 | H2 | 113.1° | 113.2° |
| O13 | C12 | C11 | 105.4° | 109.6° |
| O13 | C12 | O15 | 109.8° | 109.6° |
| O13 | C12 | O14 | 108.2° | 109.5° |
| C12 | O13 | H13 | 109.5° | 114.0° |
| C12 | C11 | C10 | 105.9° | 108.3° |
| C11 | C12 | O15 | 109.4° | 107.7° |
| C11 | C12 | O14 | 114.4° | 111.1° |
| C12 | C11 | H8 | 113.2° | 112.5° |
| C11 | C10 | N16 | 112.6° | 107.6° |
| C11 | C10 | C03 | 98.3° | 99.4° |
| C11 | C10 | C09 | 107.8° | 112.8° |
| C10 | C11 | H8 | 113.1° | 112.6° |
| N16 | C10 | C03 | 104.9° | 108.0° |
| N16 | C10 | C09 | 115.6° | 114.8° |
| C10 | N16 | H9 | 120.3° | 120.2° |
| O15 | C12 | O14 | 109.4° | 109.3° |
| C12 | O15 | C04 | 112.2° | 112.4° |
| C12 | O14 | C08 | 113.2° | 114.1° |
| C03 | C10 | C09 | 116.4° | 113.0° |
| C10 | C03 | C04 | 112.8° | 109.5° |
| C10 | C03 | H2 | 112.8° | 113.2° |
| C10 | C09 | C08 | 108.0° | 109.3° |
| C10 | C09 | O20 | 109.0° | 109.5° |
| C10 | C09 | H7 | 108.4° | 109.5° |
| O15 | C04 | C03 | 107.1° | 109.6° |
| O15 | C04 | C05 | 103.1° | 108.0° |
| O15 | C04 | H3 | 112.8° | 110.2° |
| C03 | C04 | C05 | 111.4° | 109.7° |
| C04 | C03 | H2 | 112.9° | 113.4° |
| C03 | C04 | H3 | 110.7° | 109.7° |
| O14 | C08 | C09 | 103.6° | 108.9° |
| O14 | C08 | C05 | 105.9° | 109.2° |
| O14 | C08 | H6 | 112.1° | 110.2° |
| C04 | C05 | C08 | 113.6° | 108.8° |
| C04 | C05 | O21 | 90.8° | 109.6° |
| C04 | C05 | C06 | 125.3° | 109.6° |
| C05 | C04 | H3 | 111.5° | 109.7° |
| C08 | C09 | O20 | 112.1° | 109.5° |
| C09 | C08 | C05 | 115.2° | 108.1° |
| C09 | C08 | H6 | 109.5° | 110.2° |
| C08 | C09 | H7 | 108.3° | 109.5° |
| O20 | C09 | H7 | 111.0° | 109.5° |
| C09 | O20 | H14 | 109.5° | 114.1° |
| C08 | C05 | O21 | 96.8° | 109.6° |
| C08 | C05 | C06 | 120.4° | 109.7° |
| C05 | C08 | H6 | 110.4° | 110.2° |
| O21 | C05 | C06 | 90.7° | 109.6° |
| C05 | O21 | H15 | 109.5° | 114.0° |
| C05 | C06 | O07 | 105.6° | 109.5° |
| C05 | C06 | H4 | 110.4° | 109.5° |
| C05 | C06 | H5 | 110.4° | 109.5° |
| O07 | C06 | H4 | 110.4° | 109.5° |
| O07 | C06 | H5 | 110.4° | 109.4° |
| C06 | O07 | H12 | 109.5° | 114.0° |
| H4 | C06 | H5 | 109.4° | 109.5° |
| H10 | N18 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C17 | N19 | N16 | 179.8° | 179.9° |
| N18 | C17 | N19 | C02 | 178.5° | 176.6° |
| N18 | C17 | N16 | C10 | 179.9° | 163.2° |
| N18 | C17 | N16 | H9 | 0.1° | 16.9° |
| C17 | N18 | H10 | H11 | 180.0° | 179.9° |
| O01 | C02 | N19 | C17 | 71.1° | 66.1° |
| O01 | C02 | N19 | C03 | 112.1° | 111.3° |
| O01 | C02 | N19 | H1 | 124.1° | 125.7° |
| O01 | C02 | C03 | H1 | 126.2° | 125.5° |
| C02 | O01 | C11 | C12 | 89.8° | 90.7° |
| C02 | O01 | C11 | C10 | 20.9° | 23.1° |
| O01 | C02 | C03 | C10 | 35.4° | 35.2° |
| O01 | C02 | C03 | C04 | 81.2° | 78.5° |
| O01 | C02 | C03 | H2 | 154.3° | 154.5° |
| C02 | O01 | C11 | H8 | 146.0° | 144.8° |
| C11 | O01 | C02 | N19 | 101.9° | 101.5° |
| C11 | O01 | C02 | C03 | 9.8° | 8.0° |
| O01 | C11 | C12 | O13 | 77.5° | 76.6° |
| O01 | C11 | C12 | C10 | 109.8° | 109.8° |
| O01 | C11 | C12 | H8 | 125.7° | 125.0° |
| O01 | C11 | C10 | H8 | 126.6° | 122.2° |
| O01 | C11 | C10 | N16 | 68.0° | 67.6° |
| O01 | C11 | C12 | O15 | 40.5° | 42.6° |
| O01 | C11 | C12 | O14 | 163.7° | 162.2° |
| O01 | C11 | C10 | C03 | 42.0° | 44.8° |
| O01 | C11 | C10 | C09 | 163.3° | 164.8° |
| C11 | O01 | C02 | H1 | 134.7° | 133.1° |
| C17 | N19 | C02 | C03 | 41.0° | 45.1° |
| N19 | C17 | N16 | C10 | 0.4° | 16.8° |
| C17 | N19 | C02 | H1 | 164.8° | 168.2° |
| N19 | C17 | N16 | H9 | 179.6° | 163.1° |
| N19 | C17 | N18 | H10 | 0.0° | 179.9° |
| N19 | C17 | N18 | H11 | 180.0° | 0.1° |
| C02 | N19 | C17 | N16 | 1.7° | 3.3° |
| N19 | C02 | C03 | H1 | 124.5° | 123.0° |
| N19 | C02 | C03 | C10 | 74.0° | 76.3° |
| N19 | C02 | C03 | C04 | 169.4° | 170.1° |
| N19 | C02 | C03 | H2 | 44.9° | 43.1° |
| C17 | N16 | C10 | C11 | 68.1° | 85.1° |
| C17 | N16 | C10 | H9 | 180.0° | 179.9° |
| C17 | N16 | C10 | C03 | 37.7° | 21.4° |
| C17 | N16 | C10 | C09 | 167.4° | 148.5° |
| N16 | C17 | N18 | H10 | 179.8° | 0.1° |
| N16 | C17 | N18 | H11 | 0.2° | 180.0° |
| C02 | C03 | C10 | C11 | 44.9° | 47.4° |
| C02 | C03 | C10 | N16 | 71.3° | 64.7° |
| C02 | C03 | C10 | C04 | 111.5° | 112.9° |
| C02 | C03 | C10 | H2 | 119.2° | 119.4° |
| C02 | C03 | C10 | C09 | 159.5° | 167.2° |
| C02 | C03 | C04 | O15 | 44.1° | 43.0° |
| C02 | C03 | C04 | H2 | 124.6° | 126.8° |
| C02 | C03 | C04 | C05 | 156.1° | 161.4° |
| C02 | C03 | C04 | H3 | 79.3° | 78.1° |
| O13 | C12 | C11 | O15 | 118.0° | 119.2° |
| O13 | C12 | C11 | O14 | 118.8° | 121.1° |
| O13 | C12 | C11 | C10 | 172.6° | 173.5° |
| O13 | C12 | O15 | O14 | 118.7° | 120.0° |
| O13 | C12 | O15 | C04 | 178.0° | 179.1° |
| O13 | C12 | O14 | C08 | 179.4° | 178.1° |
| O13 | C12 | C11 | H8 | 48.2° | 48.4° |
| C12 | C11 | C10 | H8 | 124.5° | 125.1° |
| C12 | C11 | C10 | N16 | 176.9° | 179.7° |
| C11 | C12 | O15 | O14 | 126.1° | 120.8° |
| C12 | C11 | C10 | C03 | 66.9° | 67.9° |
| C12 | C11 | C10 | C09 | 54.4° | 52.1° |
| C11 | C12 | O15 | C04 | 62.8° | 59.9° |
| C11 | C12 | O14 | C08 | 63.4° | 60.7° |
| C11 | C12 | O13 | H13 | 180.0° | 180.0° |
| C11 | C10 | N16 | C03 | 105.8° | 106.5° |
| C11 | C10 | N16 | C09 | 124.5° | 126.4° |
| C10 | C11 | C12 | O15 | 69.3° | 67.2° |
| C10 | C11 | C12 | O14 | 53.9° | 52.4° |
| C11 | C10 | C03 | C09 | 114.6° | 119.8° |
| C11 | C10 | C03 | C04 | 66.6° | 65.5° |
| C11 | C10 | C09 | C08 | 63.8° | 55.0° |
| C11 | C10 | C09 | O20 | 174.1° | 175.0° |
| C11 | C10 | C03 | H2 | 164.0° | 166.8° |
| C11 | C10 | C09 | H7 | 53.3° | 65.0° |
| C11 | C10 | N16 | H9 | 111.8° | 94.9° |
| N16 | C10 | C03 | C09 | 129.2° | 128.1° |
| N16 | C10 | C03 | C04 | 177.2° | 177.6° |
| N16 | C10 | C09 | C08 | 169.2° | 178.8° |
| N16 | C10 | C09 | O20 | 47.1° | 61.3° |
| N16 | C10 | C03 | H2 | 47.9° | 54.7° |
| N16 | C10 | C09 | H7 | 73.7° | 58.8° |
| N16 | C10 | C11 | H8 | 58.6° | 54.6° |
| C12 | O15 | C04 | C03 | 56.2° | 57.9° |
| O15 | C12 | O14 | C08 | 59.8° | 58.1° |
| C12 | O15 | C04 | C05 | 61.4° | 61.6° |
| C12 | O15 | C04 | H3 | 178.3° | 178.7° |
| O15 | C12 | C11 | H8 | 166.2° | 167.6° |
| O15 | C12 | O13 | H13 | 62.2° | 61.9° |
| O14 | C12 | O15 | C04 | 63.3° | 60.9° |
| C12 | O14 | C08 | C09 | 65.7° | 62.1° |
| C12 | O14 | C08 | C05 | 55.9° | 55.8° |
| C12 | O14 | C08 | H6 | 176.3° | 177.0° |
| O14 | C12 | C11 | H8 | 70.6° | 72.8° |
| O14 | C12 | O13 | H13 | 57.2° | 57.9° |
| C10 | C03 | C04 | O15 | 62.1° | 62.5° |
| C10 | C03 | C04 | H2 | 129.3° | 127.6° |
| C10 | C03 | C04 | C05 | 50.0° | 55.9° |
| C03 | C10 | C09 | C08 | 45.3° | 56.8° |
| C03 | C10 | C09 | O20 | 76.7° | 63.2° |
| C10 | C03 | C02 | H1 | 161.5° | 160.7° |
| C10 | C03 | C04 | H3 | 174.6° | 176.4° |
| C03 | C10 | C09 | H7 | 162.4° | 176.8° |
| C03 | C10 | C11 | H8 | 168.6° | 167.0° |
| C03 | C10 | N16 | H9 | 142.3° | 158.7° |
| C09 | C10 | C03 | C04 | 48.0° | 54.3° |
| C10 | C09 | C08 | O14 | 66.6° | 57.7° |
| C10 | C09 | C08 | O20 | 120.1° | 120.0° |
| C10 | C09 | C08 | H7 | 117.2° | 120.0° |
| C10 | C09 | O20 | H7 | 119.3° | 120.1° |
| C10 | C09 | C08 | C05 | 48.5° | 60.9° |
| C09 | C10 | C03 | H2 | 81.4° | 73.4° |
| C10 | C09 | C08 | H6 | 173.6° | 178.6° |
| C09 | C10 | C11 | H8 | 70.1° | 73.0° |
| C09 | C10 | N16 | H9 | 12.7° | 31.6° |
| C10 | C09 | O20 | H14 | 180.0° | 180.0° |
| O15 | C04 | C03 | C05 | 112.0° | 118.4° |
| O15 | C04 | C03 | H3 | 123.4° | 121.1° |
| O15 | C04 | C05 | H3 | 121.3° | 120.1° |
| O15 | C04 | C05 | C08 | 60.2° | 57.0° |
| O15 | C04 | C05 | O21 | 158.0° | 176.8° |
| O15 | C04 | C05 | C06 | 110.6° | 62.9° |
| O15 | C04 | C03 | H2 | 168.7° | 169.9° |
| C03 | C04 | C05 | H3 | 124.1° | 120.5° |
| C03 | C04 | C05 | C08 | 54.3° | 62.4° |
| C03 | C04 | C05 | O21 | 43.5° | 57.4° |
| C03 | C04 | C05 | C06 | 134.9° | 177.7° |
| C04 | C03 | C02 | H1 | 44.9° | 47.0° |
| O14 | C08 | C05 | C04 | 58.1° | 54.2° |
| O14 | C08 | C09 | C05 | 115.1° | 118.6° |
| O14 | C08 | C09 | H6 | 119.8° | 120.9° |
| O14 | C08 | C09 | O20 | 173.3° | 177.6° |
| O14 | C08 | C05 | H6 | 121.5° | 121.2° |
| O14 | C08 | C05 | O21 | 152.0° | 174.0° |
| O14 | C08 | C05 | C06 | 113.2° | 65.6° |
| O14 | C08 | C09 | H7 | 50.6° | 62.3° |
| C04 | C05 | C08 | C09 | 55.7° | 64.2° |
| C04 | C05 | C08 | O21 | 93.9° | 119.8° |
| C04 | C05 | C08 | C06 | 171.3° | 119.8° |
| C04 | C05 | O21 | C06 | 125.3° | 120.3° |
| C04 | C05 | C06 | O07 | 34.2° | 180.0° |
| C05 | C04 | C03 | H2 | 79.3° | 71.7° |
| C04 | C05 | C06 | H4 | 153.7° | 60.0° |
| C04 | C05 | C06 | H5 | 85.2° | 60.0° |
| C04 | C05 | C08 | H6 | 179.7° | 175.4° |
| C04 | C05 | O21 | H15 | 180.0° | 180.0° |
| C08 | C09 | O20 | H7 | 121.2° | 120.1° |
| C09 | C08 | C05 | H6 | 124.6° | 120.5° |
| C09 | C08 | C05 | O21 | 38.2° | 55.6° |
| C09 | C08 | C05 | C06 | 133.0° | 176.0° |
| C08 | C09 | O20 | H14 | 60.5° | 60.1° |
| O20 | C09 | C08 | C05 | 71.5° | 59.0° |
| O20 | C09 | C08 | H6 | 53.5° | 61.5° |
| C08 | C05 | O21 | C06 | 120.8° | 120.4° |
| C08 | C05 | C06 | O07 | 136.0° | 60.6° |
| C08 | C05 | C04 | H3 | 178.5° | 177.1° |
| C08 | C05 | C06 | H4 | 16.5° | 179.3° |
| C08 | C05 | C06 | H5 | 104.6° | 59.3° |
| C05 | C08 | C09 | H7 | 165.7° | 179.1° |
| C08 | C05 | O21 | H15 | 66.1° | 60.7° |
| O21 | C05 | C06 | O07 | 125.7° | 59.7° |
| O21 | C05 | C04 | H3 | 80.6° | 63.1° |
| O21 | C05 | C06 | H4 | 114.9° | 60.3° |
| O21 | C05 | C06 | H5 | 6.3° | 179.7° |
| O21 | C05 | C08 | H6 | 86.4° | 64.8° |
| C05 | C06 | O07 | H4 | 119.4° | 120.0° |
| C05 | C06 | O07 | H5 | 119.4° | 120.0° |
| C06 | C05 | C04 | H3 | 10.8° | 57.2° |
| C05 | C06 | H4 | H5 | 121.8° | 120.0° |
| C06 | C05 | C08 | H6 | 8.4° | 55.5° |
| C05 | C06 | O07 | H12 | 180.0° | 180.0° |
| C06 | C05 | O21 | H15 | 54.7° | 59.7° |
| O07 | C06 | H4 | H5 | 121.8° | 120.0° |
| H1 | C02 | C03 | H2 | 79.5° | 80.0° |
| H2 | C03 | C04 | H3 | 45.3° | 48.8° |
| H4 | C06 | O07 | H12 | 60.6° | 60.0° |
| H5 | C06 | O07 | H12 | 60.6° | 60.0° |
| H6 | C08 | C09 | H7 | 69.2° | 58.6° |
| H7 | C09 | O20 | H14 | 60.7° | 59.9° |
