7XL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.50Å | |
| C11 | O11 | sing | 1.43Å | 1.45Å | |
| C10 | P2 | sing | 1.82Å | 1.82Å | |
| O9 | P2 | doub | 1.48Å | 1.61Å | |
| P2 | O8 | sing | 1.61Å | 1.64Å | |
| P2 | O10 | sing | 1.61Å | 1.48Å | |
| O8 | P1 | sing | 1.61Å | 1.61Å | |
| O6 | P1 | doub | 1.48Å | 1.57Å | |
| P1 | O7 | sing | 1.61Å | 1.46Å | |
| P1 | O5 | sing | 1.61Å | 1.66Å | |
| C9 | O5 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.55Å | 1.54Å | |
| C8 | O2 | sing | 1.44Å | 1.44Å | |
| C7 | O4 | sing | 1.43Å | 1.44Å | |
| C7 | C6 | sing | 1.55Å | 1.52Å | |
| O2 | C5 | sing | 1.44Å | 1.42Å | |
| C6 | O3 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.54Å | 1.48Å | |
| C5 | N3 | sing | 1.47Å | 1.48Å | |
| C4 | N3 | sing | 1.36Å | 1.42Å | |
| C4 | C3 | doub | 1.35Å | 1.39Å | |
| N3 | C1 | sing | 1.35Å | 1.37Å | |
| C3 | C2 | sing | 1.41Å | 1.41Å | |
| C1 | O1 | doub | 1.22Å | 1.24Å | |
| C1 | N1 | sing | 1.33Å | 1.35Å | |
| C2 | N1 | doub | 1.33Å | 1.35Å | |
| C2 | N2 | sing | 1.38Å | 1.34Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| O4 | H9 | sing | 0.97Å | 0.95Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| O7 | H13 | sing | 0.97Å | 0.95Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| O11 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | O11 | 109.6° | 109.4° |
| C11 | C10 | P2 | 113.8° | 109.5° |
| C11 | C10 | H15 | 108.4° | 109.5° |
| C11 | C10 | H16 | 108.4° | 109.5° |
| C10 | C11 | H17 | 109.4° | 109.5° |
| C10 | C11 | H18 | 109.4° | 109.5° |
| O11 | C11 | H17 | 109.4° | 109.5° |
| O11 | C11 | H18 | 109.4° | 109.5° |
| C11 | O11 | H19 | 109.5° | 114.0° |
| C10 | P2 | O9 | 111.9° | 109.5° |
| C10 | P2 | O8 | 96.4° | 109.5° |
| C10 | P2 | O10 | 113.3° | 109.5° |
| P2 | C10 | H15 | 108.4° | 109.5° |
| P2 | C10 | H16 | 108.4° | 109.5° |
| O9 | P2 | O8 | 108.4° | 109.5° |
| O9 | P2 | O10 | 111.6° | 109.5° |
| O8 | P2 | O10 | 114.3° | 109.5° |
| P2 | O8 | P1 | 130.2° | 134.0° |
| P2 | O10 | H14 | 109.5° | 114.0° |
| O8 | P1 | O6 | 106.2° | 109.5° |
| O8 | P1 | O7 | 115.4° | 109.5° |
| O8 | P1 | O5 | 101.6° | 109.5° |
| O6 | P1 | O7 | 120.9° | 109.5° |
| O6 | P1 | O5 | 103.8° | 109.5° |
| O7 | P1 | O5 | 106.5° | 109.5° |
| P1 | O7 | H13 | 109.5° | 114.0° |
| P1 | O5 | C9 | 118.9° | 123.0° |
| O5 | C9 | C8 | 107.3° | 109.5° |
| O5 | C9 | H11 | 110.0° | 109.5° |
| O5 | C9 | H12 | 110.0° | 109.5° |
| C9 | C8 | C7 | 113.1° | 110.4° |
| C9 | C8 | O2 | 106.8° | 110.4° |
| C9 | C8 | H10 | 110.5° | 110.4° |
| C8 | C9 | H11 | 110.0° | 109.5° |
| C8 | C9 | H12 | 110.0° | 109.4° |
| C7 | C8 | O2 | 104.3° | 104.7° |
| C8 | C7 | O4 | 108.2° | 110.5° |
| C8 | C7 | C6 | 103.9° | 104.0° |
| C8 | C7 | H8 | 110.1° | 110.7° |
| C7 | C8 | H10 | 110.3° | 110.4° |
| C8 | O2 | C5 | 109.9° | 105.3° |
| O2 | C8 | H10 | 111.7° | 110.4° |
| O4 | C7 | C6 | 112.3° | 110.5° |
| O4 | C7 | H8 | 111.6° | 110.5° |
| C7 | O4 | H9 | 109.5° | 114.0° |
| C7 | C6 | O3 | 111.5° | 110.5° |
| C7 | C6 | C5 | 101.9° | 104.1° |
| C7 | C6 | H6 | 110.5° | 110.6° |
| C6 | C7 | H8 | 110.4° | 110.5° |
| O2 | C5 | C6 | 103.8° | 104.9° |
| O2 | C5 | N3 | 107.5° | 110.4° |
| O2 | C5 | H5 | 111.0° | 110.4° |
| O3 | C6 | C5 | 109.9° | 110.5° |
| O3 | C6 | H6 | 111.6° | 110.5° |
| C6 | O3 | H7 | 109.5° | 114.0° |
| C6 | C5 | N3 | 114.1° | 110.4° |
| C6 | C5 | H5 | 110.1° | 110.4° |
| C5 | C6 | H6 | 111.0° | 110.5° |
| C5 | N3 | C4 | 121.2° | 119.9° |
| C5 | N3 | C1 | 118.3° | 119.8° |
| N3 | C5 | H5 | 110.1° | 110.3° |
| N3 | C4 | C3 | 118.8° | 119.3° |
| C4 | N3 | C1 | 120.5° | 120.3° |
| N3 | C4 | H4 | 120.6° | 120.3° |
| C4 | C3 | C2 | 118.1° | 119.0° |
| C4 | C3 | H3 | 121.0° | 120.5° |
| C3 | C4 | H4 | 120.6° | 120.4° |
| N3 | C1 | O1 | 121.5° | 119.4° |
| N3 | C1 | N1 | 119.7° | 121.1° |
| C3 | C2 | N1 | 120.7° | 119.6° |
| C3 | C2 | N2 | 120.3° | 120.2° |
| C2 | C3 | H3 | 120.9° | 120.5° |
| O1 | C1 | N1 | 118.7° | 119.5° |
| C1 | N1 | C2 | 122.1° | 120.7° |
| N1 | C2 | N2 | 119.0° | 120.2° |
| C2 | N2 | H1 | 120.0° | 119.9° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| H1 | N2 | H2 | 120.0° | 120.0° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | O11 | H17 | 120.0° | 120.0° |
| C10 | C11 | O11 | H18 | 120.0° | 120.0° |
| C11 | C10 | P2 | H15 | 120.6° | 120.0° |
| C11 | C10 | P2 | H16 | 120.6° | 120.0° |
| C11 | C10 | P2 | O9 | 72.5° | 55.0° |
| C11 | C10 | P2 | O8 | 174.7° | 175.0° |
| C11 | C10 | P2 | O10 | 54.7° | 65.0° |
| C11 | C10 | H15 | H16 | 118.0° | 120.0° |
| C10 | C11 | H17 | H18 | 119.9° | 120.0° |
| C10 | C11 | O11 | H19 | 180.0° | 180.0° |
| O11 | C11 | C10 | P2 | 71.9° | 180.0° |
| O11 | C11 | C10 | H15 | 48.8° | 60.0° |
| O11 | C11 | C10 | H16 | 167.4° | 60.0° |
| O11 | C11 | H17 | H18 | 120.0° | 120.0° |
| C10 | P2 | O9 | O8 | 105.1° | 120.0° |
| C10 | P2 | O9 | O10 | 128.1° | 120.0° |
| C10 | P2 | O8 | O10 | 119.1° | 120.0° |
| C10 | P2 | O8 | P1 | 169.8° | 180.0° |
| C10 | P2 | O10 | H14 | 127.4° | 59.9° |
| P2 | C10 | H15 | H16 | 118.0° | 120.0° |
| P2 | C10 | C11 | H17 | 48.1° | 60.0° |
| P2 | C10 | C11 | H18 | 168.1° | 60.0° |
| O9 | P2 | O8 | O10 | 125.2° | 120.0° |
| O9 | P2 | O8 | P1 | 54.1° | 60.0° |
| O9 | P2 | O10 | H14 | 0.0° | 179.9° |
| O9 | P2 | C10 | H15 | 166.9° | 65.0° |
| O9 | P2 | C10 | H16 | 48.2° | 175.0° |
| P2 | O8 | P1 | O6 | 149.5° | 40.0° |
| P2 | O8 | P1 | O7 | 12.5° | 80.0° |
| P2 | O8 | P1 | O5 | 102.2° | 160.0° |
| O8 | P2 | O10 | H14 | 123.5° | 60.0° |
| O8 | P2 | C10 | H15 | 54.0° | 55.0° |
| O8 | P2 | C10 | H16 | 64.7° | 65.0° |
| O10 | P2 | O8 | P1 | 71.1° | 60.0° |
| O10 | P2 | C10 | H15 | 65.9° | 175.0° |
| O10 | P2 | C10 | H16 | 175.3° | 55.0° |
| O8 | P1 | O6 | O7 | 134.1° | 120.0° |
| O8 | P1 | O6 | O5 | 106.7° | 120.0° |
| O8 | P1 | O7 | O5 | 111.9° | 120.0° |
| O8 | P1 | O5 | C9 | 61.3° | 175.0° |
| O8 | P1 | O7 | H13 | 130.2° | 60.1° |
| O6 | P1 | O7 | O5 | 117.9° | 120.0° |
| O6 | P1 | O5 | C9 | 48.7° | 55.0° |
| O6 | P1 | O7 | H13 | 0.0° | 179.9° |
| O7 | P1 | O5 | C9 | 177.4° | 65.0° |
| P1 | O5 | C9 | C8 | 157.4° | 180.0° |
| P1 | O5 | C9 | H11 | 37.8° | 60.0° |
| P1 | O5 | C9 | H12 | 82.9° | 60.0° |
| O5 | P1 | O7 | H13 | 117.9° | 59.9° |
| O5 | C9 | C8 | H11 | 119.7° | 120.1° |
| O5 | C9 | C8 | H12 | 119.7° | 120.0° |
| O5 | C9 | C8 | C7 | 51.2° | 175.0° |
| O5 | C9 | C8 | O2 | 62.9° | 69.6° |
| O5 | C9 | C8 | H10 | 175.3° | 52.7° |
| O5 | C9 | H11 | H12 | 121.0° | 120.0° |
| C9 | C8 | C7 | O2 | 115.6° | 118.8° |
| C9 | C8 | C7 | H10 | 124.3° | 122.3° |
| C9 | C8 | O2 | H10 | 121.0° | 122.4° |
| C9 | C8 | C7 | O4 | 137.1° | 98.6° |
| C9 | C8 | C7 | C6 | 103.4° | 142.8° |
| C9 | C8 | O2 | C5 | 133.3° | 159.3° |
| C9 | C8 | C7 | H8 | 14.8° | 24.1° |
| C8 | C9 | H11 | H12 | 121.0° | 120.0° |
| C7 | C8 | O2 | H10 | 119.1° | 118.8° |
| C8 | C7 | O4 | C6 | 114.1° | 114.6° |
| C8 | C7 | O4 | H8 | 121.3° | 122.8° |
| C8 | C7 | C6 | H8 | 118.1° | 118.8° |
| C7 | C8 | O2 | C5 | 13.4° | 40.5° |
| C8 | C7 | C6 | O3 | 148.9° | 118.6° |
| C8 | C7 | C6 | C5 | 31.7° | 0.1° |
| C8 | C7 | C6 | H6 | 86.3° | 118.7° |
| C8 | C7 | O4 | H9 | 180.0° | 176.0° |
| C7 | C8 | C9 | H11 | 68.4° | 55.0° |
| C7 | C8 | C9 | H12 | 170.9° | 65.0° |
| O2 | C8 | C7 | O4 | 107.3° | 142.6° |
| O2 | C8 | C7 | C6 | 12.2° | 24.0° |
| C8 | O2 | C5 | C6 | 34.4° | 40.5° |
| C8 | O2 | C5 | N3 | 155.6° | 159.4° |
| C8 | O2 | C5 | H5 | 83.9° | 78.4° |
| O2 | C8 | C7 | H8 | 130.4° | 94.7° |
| O2 | C8 | C9 | H11 | 177.4° | 170.3° |
| O2 | C8 | C9 | H12 | 56.8° | 50.3° |
| O4 | C7 | C6 | H8 | 125.3° | 122.6° |
| O4 | C7 | C6 | O3 | 32.2° | 0.0° |
| O4 | C7 | C6 | C5 | 85.0° | 118.6° |
| O4 | C7 | C6 | H6 | 157.0° | 122.7° |
| O4 | C7 | C8 | H10 | 12.8° | 23.8° |
| C7 | C6 | C5 | O2 | 40.2° | 23.9° |
| C7 | C6 | O3 | C5 | 112.3° | 114.6° |
| C7 | C6 | O3 | H6 | 124.1° | 122.7° |
| C7 | C6 | C5 | H6 | 117.7° | 118.7° |
| C7 | C6 | C5 | N3 | 156.9° | 142.8° |
| C7 | C6 | C5 | H5 | 78.7° | 95.0° |
| C7 | C6 | O3 | H7 | 180.0° | 65.3° |
| C6 | C7 | O4 | H9 | 65.9° | 61.4° |
| C6 | C7 | C8 | H10 | 132.3° | 94.8° |
| O2 | C5 | C6 | O3 | 158.6° | 142.6° |
| O2 | C5 | C6 | N3 | 116.7° | 118.9° |
| O2 | C5 | C6 | H5 | 118.9° | 118.9° |
| O2 | C5 | N3 | H5 | 121.1° | 122.2° |
| O2 | C5 | N3 | C4 | 50.9° | 127.9° |
| O2 | C5 | N3 | C1 | 128.2° | 51.5° |
| O2 | C5 | C6 | H6 | 77.4° | 94.8° |
| C5 | O2 | C8 | H10 | 105.7° | 78.4° |
| O3 | C6 | C5 | H6 | 124.0° | 122.7° |
| O3 | C6 | C5 | N3 | 84.7° | 98.5° |
| O3 | C6 | C5 | H5 | 39.7° | 23.6° |
| O3 | C6 | C7 | H8 | 93.0° | 122.6° |
| C6 | C5 | N3 | H5 | 124.4° | 122.3° |
| C6 | C5 | N3 | C4 | 63.7° | 116.5° |
| C6 | C5 | N3 | C1 | 117.3° | 64.0° |
| C5 | C6 | O3 | H7 | 67.7° | 180.0° |
| C5 | C6 | C7 | H8 | 149.8° | 118.8° |
| C5 | N3 | C4 | C1 | 179.0° | 179.5° |
| C5 | N3 | C4 | C3 | 179.2° | 180.0° |
| C5 | N3 | C1 | O1 | 1.9° | 0.3° |
| C5 | N3 | C1 | N1 | 179.7° | 180.0° |
| C5 | N3 | C4 | H4 | 0.8° | 0.5° |
| N3 | C5 | C6 | H6 | 39.3° | 24.1° |
| N3 | C4 | C3 | H4 | 180.0° | 179.5° |
| N3 | C4 | C3 | C2 | 1.8° | 0.2° |
| C4 | N3 | C1 | O1 | 179.0° | 179.8° |
| C4 | N3 | C1 | N1 | 0.6° | 0.5° |
| N3 | C4 | C3 | H3 | 178.2° | 179.8° |
| C4 | N3 | C5 | H5 | 172.0° | 5.7° |
| C3 | C4 | N3 | C1 | 1.7° | 0.5° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 0.8° | 0.0° |
| C4 | C3 | C2 | N2 | 178.9° | 180.0° |
| N3 | C1 | O1 | N1 | 178.4° | 179.7° |
| N3 | C1 | N1 | C2 | 0.4° | 0.2° |
| C1 | N3 | C4 | H4 | 178.3° | 180.0° |
| C1 | N3 | C5 | H5 | 7.1° | 173.7° |
| C3 | C2 | N1 | C1 | 0.4° | 0.1° |
| C3 | C2 | N1 | N2 | 179.7° | 180.0° |
| C3 | C2 | N2 | H1 | 179.7° | 180.0° |
| C3 | C2 | N2 | H2 | 0.4° | 0.0° |
| C2 | C3 | C4 | H4 | 178.3° | 179.7° |
| O1 | C1 | N1 | C2 | 178.0° | 179.9° |
| C1 | N1 | C2 | N2 | 180.0° | 180.0° |
| N1 | C2 | N2 | H1 | 0.0° | 0.0° |
| N1 | C2 | N2 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | H3 | 179.2° | 179.9° |
| C2 | N2 | H1 | H2 | 179.9° | 180.0° |
| N2 | C2 | C3 | H3 | 1.1° | 0.1° |
| H3 | C3 | C4 | H4 | 1.7° | 0.3° |
| H5 | C5 | C6 | H6 | 163.7° | 146.3° |
| H6 | C6 | O3 | H7 | 55.9° | 57.4° |
| H6 | C6 | C7 | H8 | 31.8° | 0.1° |
| H8 | C7 | O4 | H9 | 58.7° | 61.2° |
| H8 | C7 | C8 | H10 | 109.5° | 146.4° |
| H10 | C8 | C9 | H11 | 55.7° | 67.3° |
| H10 | C8 | C9 | H12 | 65.0° | 172.7° |
| H15 | C10 | C11 | H17 | 168.8° | 180.0° |
| H15 | C10 | C11 | H18 | 71.3° | 60.0° |
| H16 | C10 | C11 | H17 | 72.5° | 60.0° |
| H16 | C10 | C11 | H18 | 47.4° | 180.0° |
| H17 | C11 | O11 | H19 | 60.0° | 60.1° |
| H18 | C11 | O11 | H19 | 60.0° | 60.0° |
