0TL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C10 | sing | 1.43Å | 1.42Å | |
| O8 | C11 | sing | 1.43Å | 1.42Å | |
| C10 | C11 | sing | 1.55Å | 1.53Å | |
| C10 | C8 | sing | 1.55Å | 1.53Å | |
| C11 | C6 | sing | 1.54Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | O2 | sing | 1.44Å | 1.45Å | |
| C9 | O3 | sing | 1.43Å | 1.44Å | |
| O4 | P1 | doub | 1.48Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | O1 | sing | 1.43Å | 1.42Å | |
| C6 | O2 | sing | 1.43Å | 1.45Å | |
| C6 | N5 | sing | 1.46Å | 1.46Å | |
| O3 | P1 | sing | 1.61Å | 1.62Å | |
| O6 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O5 | sing | 1.61Å | 1.52Å | |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| N5 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| N5 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| C2 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.38Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.32Å | Aromatic |
| N2 | C1 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | N1 | sing | 1.38Å | 1.33Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| O5 | H3 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| O6 | H14 | sing | 0.97Å | 0.95Å | |
| O7 | H15 | sing | 0.97Å | 0.95Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C10 | C11 | 114.1° | 111.1° |
| O7 | C10 | C8 | 110.0° | 111.2° |
| O7 | C10 | H7 | 110.6° | 111.0° |
| C10 | O7 | H15 | 109.5° | 114.0° |
| O8 | C11 | C10 | 109.9° | 110.8° |
| O8 | C11 | C6 | 109.9° | 110.9° |
| O8 | C11 | H8 | 111.1° | 110.9° |
| C11 | O8 | H16 | 109.5° | 114.0° |
| C11 | C10 | C8 | 103.8° | 101.0° |
| C10 | C11 | C6 | 106.8° | 102.2° |
| C11 | C10 | H7 | 109.1° | 111.1° |
| C10 | C11 | H8 | 109.5° | 110.8° |
| C10 | C8 | C9 | 114.3° | 110.3° |
| C10 | C8 | O2 | 105.8° | 105.2° |
| C8 | C10 | H7 | 109.1° | 111.1° |
| C10 | C8 | H9 | 108.2° | 110.3° |
| C11 | C6 | C7 | 111.5° | 109.9° |
| C11 | C6 | O2 | 105.7° | 107.6° |
| C11 | C6 | N5 | 114.0° | 109.8° |
| C6 | C11 | H8 | 109.4° | 110.9° |
| C9 | C8 | O2 | 110.7° | 110.3° |
| C8 | C9 | O3 | 110.9° | 109.5° |
| C9 | C8 | H9 | 108.4° | 110.3° |
| C8 | C9 | H10 | 109.1° | 109.5° |
| C8 | C9 | H11 | 109.1° | 109.5° |
| C8 | O2 | C6 | 111.0° | 110.0° |
| O2 | C8 | H9 | 109.3° | 110.4° |
| C9 | O3 | P1 | 119.2° | 123.0° |
| O3 | C9 | H10 | 109.1° | 109.5° |
| O3 | C9 | H11 | 109.1° | 109.5° |
| O4 | P1 | O3 | 106.0° | 109.5° |
| O4 | P1 | O6 | 111.6° | 109.5° |
| O4 | P1 | O5 | 112.9° | 109.5° |
| C6 | C7 | O1 | 109.8° | 109.5° |
| C7 | C6 | O2 | 110.3° | 109.8° |
| C7 | C6 | N5 | 109.3° | 109.8° |
| C6 | C7 | H4 | 109.4° | 109.5° |
| C6 | C7 | H5 | 109.4° | 109.5° |
| O1 | C7 | H4 | 109.4° | 109.5° |
| O1 | C7 | H5 | 109.4° | 109.5° |
| C7 | O1 | H6 | 109.5° | 114.0° |
| O2 | C6 | N5 | 105.9° | 109.9° |
| C6 | N5 | C3 | 127.7° | 126.2° |
| C6 | N5 | C5 | 125.6° | 126.3° |
| O3 | P1 | O6 | 109.0° | 109.4° |
| O3 | P1 | O5 | 104.5° | 109.5° |
| O6 | P1 | O5 | 112.4° | 109.5° |
| P1 | O6 | H14 | 109.5° | 114.0° |
| P1 | O5 | H3 | 109.5° | 114.0° |
| C2 | N3 | C3 | 110.6° | 120.7° |
| N3 | C2 | N2 | 129.4° | 122.5° |
| N3 | C2 | H1 | 115.3° | 118.7° |
| N3 | C3 | N5 | 127.6° | 135.0° |
| N3 | C3 | C4 | 126.6° | 119.0° |
| C3 | N5 | C5 | 106.7° | 107.5° |
| N5 | C3 | C4 | 105.7° | 106.0° |
| N5 | C5 | N4 | 112.5° | 110.0° |
| N5 | C5 | H2 | 123.8° | 125.0° |
| C2 | N2 | C1 | 118.5° | 121.2° |
| N2 | C2 | H1 | 115.3° | 118.8° |
| C3 | C4 | N4 | 110.3° | 107.1° |
| C3 | C4 | C1 | 117.6° | 118.2° |
| C5 | N4 | C4 | 104.7° | 109.4° |
| N4 | C5 | H2 | 123.8° | 125.0° |
| N2 | C1 | C4 | 117.2° | 118.5° |
| N2 | C1 | N1 | 119.4° | 120.8° |
| N4 | C4 | C1 | 132.1° | 134.7° |
| C4 | C1 | N1 | 123.4° | 120.7° |
| C1 | N1 | H12 | 109.5° | 120.0° |
| C1 | N1 | H13 | 109.4° | 119.9° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | N1 | H13 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C10 | C11 | O8 | 18.8° | 33.9° |
| O7 | C10 | C11 | C8 | 119.7° | 118.0° |
| O7 | C10 | C11 | H7 | 124.2° | 124.1° |
| O7 | C10 | C8 | H7 | 121.5° | 124.1° |
| O7 | C10 | C11 | C6 | 138.0° | 152.1° |
| O7 | C10 | C8 | C9 | 89.4° | 86.7° |
| O7 | C10 | C8 | O2 | 148.5° | 154.4° |
| O7 | C10 | C11 | H8 | 103.6° | 89.7° |
| O7 | C10 | C8 | H9 | 31.4° | 35.4° |
| O8 | C11 | C10 | C6 | 119.2° | 118.2° |
| O8 | C11 | C10 | H8 | 122.4° | 123.6° |
| O8 | C11 | C10 | C8 | 100.9° | 84.1° |
| O8 | C11 | C6 | H8 | 122.3° | 123.7° |
| O8 | C11 | C6 | C7 | 4.7° | 22.7° |
| O8 | C11 | C6 | O2 | 115.1° | 96.8° |
| O8 | C11 | C6 | N5 | 129.0° | 143.7° |
| O8 | C11 | C10 | H7 | 143.0° | 158.0° |
| C11 | C10 | C8 | H7 | 116.1° | 117.9° |
| C10 | C11 | C6 | H8 | 118.5° | 118.2° |
| C11 | C10 | C8 | C9 | 148.2° | 155.3° |
| C11 | C10 | C8 | O2 | 26.1° | 36.4° |
| C10 | C11 | C6 | C7 | 124.0° | 140.9° |
| C10 | C11 | C6 | O2 | 4.1° | 21.4° |
| C10 | C11 | C6 | N5 | 111.8° | 98.2° |
| C11 | C10 | C8 | H9 | 90.9° | 82.6° |
| C11 | C10 | O7 | H15 | 180.0° | 180.0° |
| C10 | C11 | O8 | H16 | 180.0° | 61.5° |
| C8 | C10 | C11 | C6 | 18.3° | 34.1° |
| C10 | C8 | C9 | O2 | 119.3° | 115.7° |
| C10 | C8 | C9 | H9 | 120.8° | 122.1° |
| C10 | C8 | O2 | H9 | 116.3° | 118.9° |
| C10 | C8 | C9 | O3 | 164.8° | 175.0° |
| C10 | C8 | O2 | C6 | 25.1° | 24.4° |
| C8 | C10 | C11 | H8 | 136.7° | 152.3° |
| C10 | C8 | C9 | H10 | 75.0° | 55.0° |
| C10 | C8 | C9 | H11 | 44.5° | 65.0° |
| C8 | C10 | O7 | H15 | 63.9° | 68.4° |
| C11 | C6 | O2 | C8 | 13.2° | 1.7° |
| C11 | C6 | C7 | O2 | 117.1° | 118.1° |
| C11 | C6 | C7 | N5 | 126.9° | 120.9° |
| C11 | C6 | C7 | O1 | 177.9° | 175.4° |
| C11 | C6 | O2 | N5 | 121.2° | 119.5° |
| C11 | C6 | N5 | C3 | 54.3° | 60.4° |
| C11 | C6 | N5 | C5 | 123.6° | 119.6° |
| C11 | C6 | C7 | H4 | 62.1° | 55.3° |
| C11 | C6 | C7 | H5 | 57.8° | 64.6° |
| C6 | C11 | C10 | H7 | 97.8° | 83.8° |
| C6 | C11 | O8 | H16 | 62.7° | 174.3° |
| C9 | C8 | O2 | H9 | 119.4° | 122.1° |
| C8 | C9 | O3 | H10 | 120.2° | 120.0° |
| C8 | C9 | O3 | H11 | 120.2° | 120.0° |
| C9 | C8 | O2 | C6 | 149.4° | 143.3° |
| C8 | C9 | O3 | P1 | 168.2° | 180.0° |
| C9 | C8 | C10 | H7 | 32.0° | 37.5° |
| C8 | C9 | H10 | H11 | 119.4° | 120.0° |
| O2 | C8 | C9 | O3 | 45.5° | 69.3° |
| C8 | O2 | C6 | C7 | 107.5° | 117.9° |
| C8 | O2 | C6 | N5 | 134.4° | 121.2° |
| O2 | C8 | C10 | H7 | 90.0° | 81.5° |
| O2 | C8 | C9 | H10 | 165.7° | 170.8° |
| O2 | C8 | C9 | H11 | 74.7° | 50.7° |
| C9 | O3 | P1 | O4 | 78.9° | 55.0° |
| C9 | O3 | P1 | O6 | 41.3° | 65.0° |
| C9 | O3 | P1 | O5 | 161.6° | 175.0° |
| O3 | C9 | C8 | H9 | 74.5° | 52.9° |
| O3 | C9 | H10 | H11 | 119.3° | 120.0° |
| O4 | P1 | O3 | O6 | 120.3° | 120.0° |
| O4 | P1 | O3 | O5 | 119.5° | 120.0° |
| O4 | P1 | O6 | O5 | 128.0° | 120.0° |
| O4 | P1 | O5 | H3 | 0.0° | 60.0° |
| O4 | P1 | O6 | H14 | 0.0° | 180.0° |
| C6 | C7 | O1 | H4 | 120.1° | 120.0° |
| C6 | C7 | O1 | H5 | 120.1° | 120.0° |
| C7 | C6 | O2 | N5 | 118.1° | 120.9° |
| C7 | C6 | N5 | C3 | 71.2° | 60.6° |
| C7 | C6 | N5 | C5 | 111.0° | 119.4° |
| C6 | C7 | H4 | H5 | 119.8° | 119.9° |
| C6 | C7 | O1 | H6 | 180.0° | 179.9° |
| C7 | C6 | C11 | H8 | 117.6° | 100.9° |
| O1 | C7 | C6 | O2 | 60.8° | 66.5° |
| O1 | C7 | C6 | N5 | 55.3° | 54.4° |
| O1 | C7 | H4 | H5 | 119.8° | 120.0° |
| O2 | C6 | N5 | C3 | 170.0° | 178.5° |
| O2 | C6 | N5 | C5 | 7.8° | 1.5° |
| O2 | C6 | C7 | H4 | 179.2° | 173.5° |
| O2 | C6 | C7 | H5 | 59.3° | 53.6° |
| O2 | C6 | C11 | H8 | 122.6° | 139.5° |
| C6 | O2 | C8 | H9 | 91.2° | 94.6° |
| C6 | N5 | C3 | N3 | 2.5° | 0.1° |
| C6 | N5 | C3 | C5 | 178.2° | 180.0° |
| C6 | N5 | C3 | C4 | 179.0° | 180.0° |
| C6 | N5 | C5 | N4 | 178.9° | 180.0° |
| C6 | N5 | C5 | H2 | 1.1° | 0.1° |
| N5 | C6 | C7 | H4 | 64.8° | 65.6° |
| N5 | C6 | C7 | H5 | 175.3° | 174.5° |
| N5 | C6 | C11 | H8 | 6.7° | 20.0° |
| O3 | P1 | O6 | O5 | 115.3° | 120.0° |
| O3 | P1 | O5 | H3 | 114.7° | 180.0° |
| P1 | O3 | C9 | H10 | 48.0° | 60.0° |
| P1 | O3 | C9 | H11 | 71.6° | 60.0° |
| O3 | P1 | O6 | H14 | 116.7° | 60.0° |
| O6 | P1 | O5 | H3 | 127.3° | 60.0° |
| O5 | P1 | O6 | H14 | 128.0° | 60.0° |
| C2 | N3 | C3 | N5 | 179.3° | 179.7° |
| N3 | C2 | N2 | H1 | 180.0° | 180.0° |
| C2 | N3 | C3 | C4 | 1.1° | 0.3° |
| N3 | C2 | N2 | C1 | 1.7° | 0.0° |
| N3 | C3 | N5 | C4 | 178.5° | 179.9° |
| N3 | C3 | N5 | C5 | 179.3° | 179.9° |
| C3 | N3 | C2 | N2 | 0.6° | 0.3° |
| N3 | C3 | C4 | N4 | 179.2° | 179.9° |
| N3 | C3 | C4 | C1 | 1.6° | 0.0° |
| C3 | N3 | C2 | H1 | 179.4° | 179.6° |
| C3 | N5 | C5 | N4 | 0.7° | 0.0° |
| N5 | C3 | C4 | N4 | 0.7° | 0.0° |
| N5 | C3 | C4 | C1 | 179.9° | 179.9° |
| C3 | N5 | C5 | H2 | 179.3° | 179.9° |
| C5 | N5 | C3 | C4 | 0.8° | 0.0° |
| N5 | C5 | N4 | H2 | 180.0° | 180.0° |
| N5 | C5 | N4 | C4 | 0.2° | 0.0° |
| C2 | N2 | C1 | C4 | 1.0° | 0.4° |
| C2 | N2 | C1 | N1 | 179.5° | 180.0° |
| C3 | C4 | N4 | C5 | 0.3° | 0.0° |
| C3 | C4 | C1 | N2 | 0.4° | 0.3° |
| C3 | C4 | N4 | C1 | 179.1° | 179.9° |
| C3 | C4 | C1 | N1 | 178.1° | 180.0° |
| C5 | N4 | C4 | C1 | 179.4° | 180.0° |
| N2 | C1 | C4 | N4 | 179.4° | 179.7° |
| N2 | C1 | C4 | N1 | 178.5° | 179.6° |
| C1 | N2 | C2 | H1 | 178.3° | 180.0° |
| N2 | C1 | N1 | H12 | 0.0° | 179.7° |
| N2 | C1 | N1 | H13 | 120.0° | 0.3° |
| N4 | C4 | C1 | N1 | 1.0° | 0.1° |
| C4 | N4 | C5 | H2 | 179.8° | 179.9° |
| C4 | C1 | N1 | H12 | 178.4° | 0.1° |
| C4 | C1 | N1 | H13 | 61.6° | 180.0° |
| C1 | N1 | H12 | H13 | 120.0° | 179.9° |
| H4 | C7 | O1 | H6 | 60.0° | 59.9° |
| H5 | C7 | O1 | H6 | 59.9° | 60.1° |
| H7 | C10 | C11 | H8 | 20.6° | 34.4° |
| H7 | C10 | C8 | H9 | 152.9° | 159.5° |
| H7 | C10 | O7 | H15 | 56.6° | 55.8° |
| H8 | C11 | O8 | H16 | 58.6° | 62.1° |
| H9 | C8 | C9 | H10 | 45.8° | 67.1° |
| H9 | C8 | C9 | H11 | 165.3° | 172.9° |
