P7D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | N02 | sing | 1.47Å | 1.49Å | |
| N02 | C01 | sing | 1.47Å | 1.52Å | |
| N02 | C04 | sing | 1.47Å | 1.52Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | S11 | sing | 1.76Å | 1.76Å | |
| S11 | O13 | doub | 1.42Å | 1.41Å | |
| S11 | O12 | doub | 1.42Å | 1.41Å | |
| S11 | N14 | sing | 1.66Å | 1.81Å | |
| N14 | C15 | sing | 1.37Å | 1.47Å | Aromatic |
| N14 | C24 | sing | 1.35Å | 1.48Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.46Å | Aromatic |
| C24 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | doub | 1.35Å | 1.36Å | |
| C19 | C20 | sing | 1.42Å | 1.45Å | |
| N22 | C20 | sing | 1.35Å | 1.42Å | |
| N22 | O23 | sing | 1.42Å | 1.37Å | |
| C20 | O21 | doub | 1.22Å | 1.26Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| N22 | H19 | sing | 0.97Å | 1.00Å | |
| O23 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | N02 | C01 | 110.2° | 111.0° |
| C03 | N02 | C04 | 112.9° | 111.0° |
| N02 | C03 | H7 | 109.5° | 109.5° |
| N02 | C03 | H8 | 109.5° | 109.4° |
| N02 | C03 | H9 | 109.5° | 109.5° |
| C01 | N02 | C04 | 113.8° | 111.0° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.5° | 109.4° |
| N02 | C01 | H6 | 109.5° | 109.5° |
| N02 | C04 | C05 | 116.7° | 109.5° |
| N02 | C04 | H10 | 107.6° | 109.5° |
| N02 | C04 | H11 | 107.7° | 109.5° |
| C04 | C05 | C06 | 121.7° | 120.0° |
| C04 | C05 | C10 | 123.7° | 120.0° |
| C05 | C04 | H10 | 107.6° | 109.4° |
| C05 | C04 | H11 | 107.6° | 109.5° |
| C06 | C05 | C10 | 114.6° | 120.0° |
| C05 | C06 | C07 | 122.5° | 120.0° |
| C05 | C06 | H12 | 118.7° | 120.0° |
| C05 | C10 | C09 | 121.6° | 120.0° |
| C05 | C10 | H1 | 119.2° | 120.0° |
| C06 | C07 | C08 | 124.4° | 120.0° |
| C07 | C06 | H12 | 118.7° | 120.0° |
| C06 | C07 | H13 | 117.8° | 120.0° |
| C10 | C09 | C08 | 125.0° | 120.0° |
| C09 | C10 | H1 | 119.2° | 120.0° |
| C10 | C09 | H14 | 117.5° | 120.0° |
| C07 | C08 | C09 | 111.8° | 120.0° |
| C07 | C08 | S11 | 123.5° | 120.0° |
| C08 | C07 | H13 | 117.8° | 120.0° |
| C09 | C08 | S11 | 124.7° | 120.0° |
| C08 | C09 | H14 | 117.5° | 120.0° |
| C08 | S11 | O13 | 109.7° | 106.4° |
| C08 | S11 | O12 | 109.3° | 106.4° |
| C08 | S11 | N14 | 110.0° | 107.2° |
| O13 | S11 | O12 | 113.6° | 123.2° |
| O13 | S11 | N14 | 107.0° | 106.4° |
| O12 | S11 | N14 | 107.3° | 106.4° |
| S11 | N14 | C15 | 126.2° | 124.8° |
| S11 | N14 | C24 | 131.9° | 124.8° |
| C15 | N14 | C24 | 101.8° | 110.4° |
| N14 | C15 | C16 | 111.5° | 109.1° |
| N14 | C15 | H2 | 124.2° | 125.4° |
| N14 | C24 | C17 | 112.1° | 108.1° |
| N14 | C24 | H3 | 124.0° | 125.9° |
| C15 | C16 | C17 | 108.7° | 106.5° |
| C16 | C15 | H2 | 124.2° | 125.5° |
| C15 | C16 | H15 | 125.7° | 126.7° |
| C16 | C17 | C24 | 105.9° | 105.9° |
| C16 | C17 | C18 | 123.6° | 127.0° |
| C17 | C16 | H15 | 125.6° | 126.8° |
| C24 | C17 | C18 | 130.5° | 127.0° |
| C17 | C24 | H3 | 124.0° | 126.0° |
| C17 | C18 | C19 | 127.9° | 120.0° |
| C17 | C18 | H16 | 116.0° | 120.0° |
| C18 | C19 | C20 | 122.3° | 120.0° |
| C19 | C18 | H16 | 116.1° | 120.0° |
| C18 | C19 | H17 | 118.9° | 120.0° |
| C19 | C20 | N22 | 126.7° | 120.0° |
| C19 | C20 | O21 | 123.7° | 120.0° |
| C20 | C19 | H17 | 118.8° | 120.0° |
| C20 | N22 | O23 | 116.7° | 120.0° |
| N22 | C20 | O21 | 109.5° | 120.0° |
| C20 | N22 | H19 | 121.7° | 119.9° |
| O23 | N22 | H19 | 121.7° | 120.0° |
| N22 | O23 | H20 | 109.5° | 114.0° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.4° | 109.5° |
| H7 | C03 | H8 | 109.4° | 109.5° |
| H7 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | N02 | C01 | C04 | 127.9° | 123.9° |
| C03 | N02 | C04 | C05 | 66.3° | 66.1° |
| C03 | N02 | C01 | H4 | 180.0° | 56.0° |
| C03 | N02 | C01 | H5 | 60.0° | 176.1° |
| C03 | N02 | C01 | H6 | 60.0° | 64.0° |
| N02 | C03 | H7 | H8 | 120.0° | 119.9° |
| N02 | C03 | H7 | H9 | 120.0° | 120.0° |
| N02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | N02 | C04 | H10 | 172.7° | 173.9° |
| C03 | N02 | C04 | H11 | 54.8° | 54.0° |
| C01 | N02 | C04 | C05 | 60.3° | 170.0° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N02 | C03 | H7 | 180.0° | 60.0° |
| C01 | N02 | C03 | H8 | 60.0° | 180.0° |
| C01 | N02 | C03 | H9 | 60.0° | 60.0° |
| C01 | N02 | C04 | H10 | 60.8° | 50.0° |
| C01 | N02 | C04 | H11 | 178.7° | 69.9° |
| N02 | C04 | C05 | H10 | 121.0° | 120.0° |
| N02 | C04 | C05 | H11 | 121.1° | 120.1° |
| N02 | C04 | C05 | C06 | 103.6° | 90.0° |
| N02 | C04 | C05 | C10 | 78.4° | 89.9° |
| C04 | N02 | C01 | H4 | 52.1° | 179.9° |
| C04 | N02 | C01 | H5 | 68.0° | 60.1° |
| C04 | N02 | C01 | H6 | 172.1° | 59.9° |
| C04 | N02 | C03 | H7 | 51.6° | 63.9° |
| C04 | N02 | C03 | H8 | 171.6° | 56.1° |
| C04 | N02 | C03 | H9 | 68.4° | 176.1° |
| N02 | C04 | H10 | H11 | 116.7° | 120.0° |
| C04 | C05 | C06 | C10 | 178.2° | 180.0° |
| C04 | C05 | C06 | C07 | 179.5° | 180.0° |
| C04 | C05 | C10 | C09 | 179.6° | 180.0° |
| C04 | C05 | C10 | H1 | 0.5° | 0.3° |
| C05 | C04 | H10 | H11 | 116.7° | 120.0° |
| C04 | C05 | C06 | H12 | 0.5° | 0.0° |
| C05 | C06 | C07 | H12 | 180.0° | 180.0° |
| C06 | C05 | C10 | C09 | 1.4° | 0.0° |
| C05 | C06 | C07 | C08 | 1.0° | 0.0° |
| C06 | C05 | C10 | H1 | 178.6° | 179.7° |
| C06 | C05 | C04 | H10 | 135.4° | 150.0° |
| C06 | C05 | C04 | H11 | 17.5° | 30.1° |
| C05 | C06 | C07 | H13 | 179.0° | 180.0° |
| C10 | C05 | C06 | C07 | 1.3° | 0.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 1.2° | 0.0° |
| C10 | C05 | C04 | H10 | 42.7° | 30.0° |
| C10 | C05 | C04 | H11 | 160.6° | 150.0° |
| C10 | C05 | C06 | H12 | 178.7° | 180.0° |
| C05 | C10 | C09 | H14 | 178.8° | 179.7° |
| C06 | C07 | C08 | H13 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C06 | C07 | C08 | S11 | 179.8° | 180.0° |
| C10 | C09 | C08 | C07 | 0.7° | 0.0° |
| C10 | C09 | C08 | H14 | 180.0° | 179.8° |
| C10 | C09 | C08 | S11 | 179.7° | 179.9° |
| C07 | C08 | C09 | S11 | 179.7° | 180.0° |
| C07 | C08 | S11 | O13 | 16.5° | 23.5° |
| C07 | C08 | S11 | O12 | 141.7° | 156.5° |
| C07 | C08 | S11 | N14 | 100.8° | 90.0° |
| C08 | C07 | C06 | H12 | 179.0° | 180.0° |
| C07 | C08 | C09 | H14 | 179.3° | 179.8° |
| C09 | C08 | S11 | O13 | 163.1° | 156.4° |
| C09 | C08 | S11 | O12 | 37.9° | 23.5° |
| C09 | C08 | S11 | N14 | 79.5° | 90.0° |
| C08 | C09 | C10 | H1 | 178.8° | 179.7° |
| C09 | C08 | C07 | H13 | 179.5° | 180.0° |
| C08 | S11 | O13 | O12 | 122.6° | 123.0° |
| C08 | S11 | O13 | N14 | 119.2° | 114.1° |
| C08 | S11 | O12 | N14 | 119.2° | 114.1° |
| C08 | S11 | N14 | C15 | 75.8° | 90.0° |
| C08 | S11 | N14 | C24 | 106.1° | 90.0° |
| S11 | C08 | C07 | H13 | 0.2° | 0.0° |
| S11 | C08 | C09 | H14 | 0.4° | 0.3° |
| O13 | S11 | O12 | N14 | 118.0° | 122.9° |
| O13 | S11 | N14 | C15 | 43.2° | 156.5° |
| O13 | S11 | N14 | C24 | 134.8° | 23.6° |
| O12 | S11 | N14 | C15 | 165.4° | 23.5° |
| O12 | S11 | N14 | C24 | 12.6° | 156.5° |
| S11 | N14 | C15 | C24 | 178.5° | 180.0° |
| S11 | N14 | C15 | C16 | 178.8° | 180.0° |
| S11 | N14 | C24 | C17 | 178.0° | 179.7° |
| S11 | N14 | C15 | H2 | 1.2° | 0.3° |
| S11 | N14 | C24 | H3 | 2.0° | 0.3° |
| N14 | C15 | C16 | H2 | 180.0° | 179.7° |
| N14 | C15 | C16 | C17 | 0.8° | 0.3° |
| C15 | N14 | C24 | C17 | 0.4° | 0.3° |
| C15 | N14 | C24 | H3 | 179.6° | 179.7° |
| N14 | C15 | C16 | H15 | 179.2° | 179.7° |
| C24 | N14 | C15 | C16 | 0.3° | 0.0° |
| N14 | C24 | C17 | C16 | 0.9° | 0.4° |
| N14 | C24 | C17 | H3 | 180.0° | 180.0° |
| N14 | C24 | C17 | C18 | 178.3° | 180.0° |
| C24 | N14 | C15 | H2 | 179.7° | 179.7° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | C24 | 1.1° | 0.4° |
| C15 | C16 | C17 | C18 | 178.7° | 180.0° |
| C16 | C17 | C24 | C18 | 177.4° | 179.6° |
| C16 | C17 | C18 | C19 | 31.5° | 0.5° |
| C17 | C16 | C15 | H2 | 179.2° | 180.0° |
| C16 | C17 | C24 | H3 | 179.1° | 179.6° |
| C16 | C17 | C18 | H16 | 148.5° | 179.5° |
| C24 | C17 | C18 | C19 | 151.5° | 180.0° |
| C24 | C17 | C16 | H15 | 178.9° | 179.6° |
| C24 | C17 | C18 | H16 | 28.5° | 0.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 178.1° | 180.0° |
| C18 | C17 | C24 | H3 | 1.7° | 0.0° |
| C18 | C17 | C16 | H15 | 1.3° | 0.1° |
| C17 | C18 | C19 | H17 | 1.9° | 0.0° |
| C18 | C19 | C20 | H17 | 180.0° | 179.9° |
| C18 | C19 | C20 | N22 | 107.2° | 180.0° |
| C18 | C19 | C20 | O21 | 71.5° | 0.0° |
| C19 | C20 | N22 | O21 | 178.9° | 180.0° |
| C19 | C20 | N22 | O23 | 180.0° | 180.0° |
| C20 | C19 | C18 | H16 | 1.9° | 0.0° |
| C19 | C20 | N22 | H19 | 0.0° | 0.0° |
| C20 | N22 | O23 | H19 | 180.0° | 180.0° |
| N22 | C20 | C19 | H17 | 72.8° | 0.0° |
| C20 | N22 | O23 | H20 | 0.7° | 180.0° |
| O23 | N22 | C20 | O21 | 1.2° | 0.0° |
| O21 | C20 | C19 | H17 | 108.5° | 179.9° |
| O21 | C20 | N22 | H19 | 178.8° | 179.9° |
| H1 | C10 | C09 | H14 | 1.2° | 0.1° |
| H2 | C15 | C16 | H15 | 0.8° | 0.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | H8 | H9 | 120.0° | 120.0° |
| H12 | C06 | C07 | H13 | 1.0° | 0.0° |
| H16 | C18 | C19 | H17 | 178.1° | 180.0° |
| H19 | N22 | O23 | H20 | 179.3° | 0.0° |
