6L1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C6 | N3 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| O1 | C8 | doub | 1.21Å | 1.21Å | |
| C8 | O2 | sing | 1.34Å | 1.34Å | |
| O3 | P1 | doub | 1.48Å | 1.63Å | |
| N6 | C3 | sing | 1.38Å | 1.31Å | |
| O2 | P1 | sing | 1.61Å | 1.64Å | |
| C3 | C2 | doub | 1.41Å | 1.35Å | Aromatic |
| C3 | N1 | sing | 1.33Å | 1.32Å | Aromatic |
| N5 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| N5 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| P1 | O5 | sing | 1.61Å | 1.67Å | |
| P1 | O4 | sing | 1.61Å | 1.51Å | |
| C2 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| N1 | C14 | doub | 1.32Å | 1.43Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.36Å | Aromatic |
| O5 | C9 | sing | 1.43Å | 1.42Å | |
| C1 | N4 | sing | 1.37Å | 1.33Å | Aromatic |
| C1 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| C14 | N2 | sing | 1.32Å | 1.37Å | Aromatic |
| N4 | C13 | sing | 1.47Å | 1.53Å | |
| O6 | C13 | sing | 1.45Å | 1.48Å | |
| O6 | C10 | sing | 1.44Å | 1.42Å | |
| C13 | C12 | sing | 1.54Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| C12 | C11 | sing | 1.55Å | 1.48Å | |
| C12 | O8 | sing | 1.43Å | 1.38Å | |
| C11 | O7 | sing | 1.43Å | 1.47Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N3 | H6 | sing | 1.01Å | 1.00Å | |
| N3 | H7 | sing | 1.01Å | 1.00Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| O7 | H16 | sing | 0.97Å | 0.95Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O8 | H18 | sing | 0.97Å | 0.95Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| N6 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C5 | C6 | N3 | 110.9° | 109.5° |
| C6 | C5 | H2 | 109.5° | 109.5° |
| C6 | C5 | H3 | 109.4° | 109.5° |
| C6 | C5 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 108.2° | 109.4° |
| C7 | C6 | N3 | 107.7° | 109.5° |
| C6 | C7 | C8 | 105.3° | 109.5° |
| C7 | C6 | H5 | 109.0° | 109.4° |
| C6 | C7 | H9 | 110.5° | 109.5° |
| C6 | C7 | H10 | 110.5° | 109.5° |
| N3 | C6 | H5 | 109.6° | 109.5° |
| C6 | N3 | H6 | 109.5° | 111.0° |
| C6 | N3 | H7 | 109.5° | 110.9° |
| C7 | C8 | O1 | 121.2° | 120.0° |
| C7 | C8 | O2 | 118.6° | 120.0° |
| C8 | C7 | H9 | 110.5° | 109.5° |
| C8 | C7 | H10 | 110.5° | 109.5° |
| O1 | C8 | O2 | 120.0° | 120.0° |
| C8 | O2 | P1 | 120.2° | 117.0° |
| O3 | P1 | O2 | 109.5° | 109.5° |
| O3 | P1 | O5 | 105.8° | 109.5° |
| O3 | P1 | O4 | 109.9° | 109.5° |
| N6 | C3 | C2 | 120.5° | 120.8° |
| N6 | C3 | N1 | 117.5° | 120.8° |
| C3 | N6 | H21 | 109.5° | 120.0° |
| C3 | N6 | H22 | 109.5° | 120.0° |
| O2 | P1 | O5 | 107.4° | 109.5° |
| O2 | P1 | O4 | 105.7° | 109.4° |
| C2 | C3 | N1 | 122.0° | 118.5° |
| C3 | C2 | N5 | 133.7° | 134.7° |
| C3 | C2 | C1 | 118.8° | 118.2° |
| C3 | N1 | C14 | 119.3° | 121.2° |
| C2 | N5 | C4 | 106.9° | 109.5° |
| N5 | C2 | C1 | 107.5° | 107.1° |
| N5 | C4 | N4 | 109.9° | 110.0° |
| N5 | C4 | H1 | 125.0° | 125.0° |
| O5 | P1 | O4 | 118.2° | 109.5° |
| P1 | O5 | C9 | 121.1° | 123.0° |
| P1 | O4 | H11 | 109.5° | 114.0° |
| C2 | C1 | N4 | 109.4° | 106.0° |
| C2 | C1 | N2 | 122.2° | 119.1° |
| N1 | C14 | N2 | 118.2° | 122.5° |
| N1 | C14 | H20 | 120.9° | 118.7° |
| C4 | N4 | C1 | 106.2° | 107.5° |
| C4 | N4 | C13 | 133.4° | 126.3° |
| N4 | C4 | H1 | 125.1° | 125.0° |
| O5 | C9 | C10 | 110.4° | 109.5° |
| O5 | C9 | H12 | 109.2° | 109.4° |
| O5 | C9 | H13 | 109.2° | 109.5° |
| N4 | C1 | N2 | 128.3° | 134.9° |
| C1 | N4 | C13 | 120.3° | 126.3° |
| C1 | N2 | C14 | 119.5° | 120.6° |
| N2 | C14 | H20 | 120.9° | 118.8° |
| N4 | C13 | O6 | 104.8° | 110.4° |
| N4 | C13 | C12 | 115.8° | 110.4° |
| N4 | C13 | H19 | 109.5° | 110.4° |
| C13 | O6 | C10 | 109.6° | 105.3° |
| O6 | C13 | C12 | 105.6° | 104.8° |
| O6 | C13 | H19 | 110.1° | 110.4° |
| O6 | C10 | C9 | 120.2° | 110.4° |
| O6 | C10 | C11 | 102.1° | 104.8° |
| O6 | C10 | H14 | 107.6° | 110.5° |
| C13 | C12 | C11 | 102.8° | 104.1° |
| C13 | C12 | O8 | 109.5° | 110.5° |
| C13 | C12 | H17 | 112.9° | 110.7° |
| C12 | C13 | H19 | 110.7° | 110.4° |
| C9 | C10 | C11 | 113.7° | 110.4° |
| C10 | C9 | H12 | 109.3° | 109.5° |
| C10 | C9 | H13 | 109.3° | 109.5° |
| C9 | C10 | H14 | 106.0° | 110.4° |
| C10 | C11 | C12 | 103.2° | 104.1° |
| C10 | C11 | O7 | 111.2° | 110.5° |
| C11 | C10 | H14 | 106.4° | 110.4° |
| C10 | C11 | H15 | 110.7° | 110.5° |
| C11 | C12 | O8 | 104.3° | 110.5° |
| C12 | C11 | O7 | 108.6° | 110.5° |
| C12 | C11 | H15 | 111.4° | 110.6° |
| C11 | C12 | H17 | 112.4° | 110.6° |
| O8 | C12 | H17 | 114.1° | 110.5° |
| C12 | O8 | H18 | 109.5° | 114.0° |
| O7 | C11 | H15 | 111.5° | 110.5° |
| C11 | O7 | H16 | 109.5° | 114.0° |
| H2 | C5 | H3 | 109.4° | 109.5° |
| H2 | C5 | H4 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H6 | N3 | H7 | 109.4° | 111.0° |
| H9 | C7 | H10 | 109.4° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.4° |
| H21 | N6 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | N3 | 121.8° | 120.1° |
| C5 | C6 | C7 | H5 | 119.4° | 119.9° |
| C5 | C6 | N3 | H5 | 119.4° | 120.0° |
| C5 | C6 | C7 | C8 | 176.6° | 175.0° |
| C6 | C5 | H2 | H3 | 120.0° | 120.1° |
| C6 | C5 | H2 | H4 | 120.0° | 120.0° |
| C6 | C5 | H3 | H4 | 120.0° | 120.0° |
| C5 | C6 | N3 | H6 | 180.0° | 176.1° |
| C5 | C6 | N3 | H7 | 60.0° | 60.0° |
| C5 | C6 | C7 | H9 | 57.3° | 54.9° |
| C5 | C6 | C7 | H10 | 64.0° | 65.0° |
| C7 | C6 | N3 | H5 | 118.4° | 120.0° |
| C6 | C7 | C8 | H9 | 119.4° | 120.1° |
| C6 | C7 | C8 | H10 | 119.4° | 120.0° |
| C6 | C7 | C8 | O1 | 133.4° | 0.0° |
| C6 | C7 | C8 | O2 | 42.2° | 180.0° |
| C7 | C6 | C5 | H2 | 180.0° | 59.9° |
| C7 | C6 | C5 | H3 | 60.0° | 180.0° |
| C7 | C6 | C5 | H4 | 60.0° | 60.0° |
| C7 | C6 | N3 | H6 | 57.9° | 63.9° |
| C7 | C6 | N3 | H7 | 62.1° | 60.0° |
| C6 | C7 | H9 | H10 | 121.9° | 120.0° |
| N3 | C6 | C7 | C8 | 61.5° | 65.0° |
| N3 | C6 | C5 | H2 | 60.1° | 180.0° |
| N3 | C6 | C5 | H3 | 59.9° | 60.0° |
| N3 | C6 | C5 | H4 | 179.9° | 60.0° |
| C6 | N3 | H6 | H7 | 120.0° | 123.9° |
| N3 | C6 | C7 | H9 | 179.1° | 175.0° |
| N3 | C6 | C7 | H10 | 57.8° | 55.0° |
| C7 | C8 | O1 | O2 | 175.5° | 180.0° |
| C7 | C8 | O2 | P1 | 166.6° | 180.0° |
| C8 | C7 | C6 | H5 | 57.3° | 55.0° |
| C8 | C7 | H9 | H10 | 121.9° | 120.0° |
| O1 | C8 | O2 | P1 | 17.8° | 0.0° |
| O1 | C8 | C7 | H9 | 14.0° | 120.1° |
| O1 | C8 | C7 | H10 | 107.3° | 120.0° |
| C8 | O2 | P1 | O3 | 92.9° | 54.9° |
| C8 | O2 | P1 | O5 | 21.6° | 175.0° |
| C8 | O2 | P1 | O4 | 148.7° | 65.0° |
| O2 | C8 | C7 | H9 | 161.6° | 60.0° |
| O2 | C8 | C7 | H10 | 77.2° | 60.0° |
| O3 | P1 | O2 | O5 | 114.5° | 120.1° |
| O3 | P1 | O2 | O4 | 118.4° | 120.0° |
| O3 | P1 | O5 | O4 | 123.7° | 120.0° |
| O3 | P1 | O5 | C9 | 131.4° | 55.0° |
| O3 | P1 | O4 | H11 | 0.0° | 180.0° |
| N6 | C3 | C2 | N1 | 179.0° | 180.0° |
| N6 | C3 | C2 | N5 | 0.4° | 0.0° |
| N6 | C3 | C2 | C1 | 179.1° | 180.0° |
| N6 | C3 | N1 | C14 | 179.8° | 180.0° |
| C3 | N6 | H21 | H22 | 120.0° | 180.0° |
| O2 | P1 | O5 | O4 | 119.4° | 120.0° |
| O2 | P1 | O5 | C9 | 111.7° | 175.0° |
| O2 | P1 | O4 | H11 | 118.1° | 60.0° |
| C3 | C2 | N5 | C1 | 179.5° | 180.0° |
| C3 | C2 | N5 | C4 | 179.9° | 179.7° |
| C2 | C3 | N1 | C14 | 0.7° | 0.0° |
| C3 | C2 | C1 | N4 | 179.2° | 180.0° |
| C3 | C2 | C1 | N2 | 0.2° | 0.2° |
| C2 | C3 | N6 | H21 | 179.1° | 0.0° |
| C2 | C3 | N6 | H22 | 59.1° | 180.0° |
| N1 | C3 | C2 | N5 | 179.4° | 180.0° |
| N1 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | N1 | C14 | N2 | 1.0° | 0.3° |
| C3 | N1 | C14 | H20 | 179.0° | 180.0° |
| N1 | C3 | N6 | H21 | 0.0° | 180.0° |
| N1 | C3 | N6 | H22 | 120.0° | 0.0° |
| C2 | N5 | C4 | N4 | 0.3° | 0.5° |
| N5 | C2 | C1 | N4 | 1.2° | 0.1° |
| N5 | C2 | C1 | N2 | 179.8° | 179.8° |
| C2 | N5 | C4 | H1 | 179.7° | 180.0° |
| C4 | N5 | C2 | C1 | 0.5° | 0.4° |
| N5 | C4 | N4 | H1 | 180.0° | 179.5° |
| N5 | C4 | N4 | C1 | 1.0° | 0.5° |
| N5 | C4 | N4 | C13 | 177.5° | 179.5° |
| P1 | O5 | C9 | C10 | 178.8° | 180.0° |
| O5 | P1 | O4 | H11 | 121.6° | 60.0° |
| P1 | O5 | C9 | H12 | 58.7° | 60.0° |
| P1 | O5 | C9 | H13 | 61.0° | 59.9° |
| O4 | P1 | O5 | C9 | 7.7° | 65.0° |
| C2 | C1 | N4 | C4 | 1.3° | 0.2° |
| C2 | C1 | N4 | N2 | 179.0° | 179.8° |
| C2 | C1 | N2 | C14 | 0.2° | 0.4° |
| C2 | C1 | N4 | C13 | 178.4° | 179.7° |
| N1 | C14 | N2 | C1 | 0.8° | 0.5° |
| N1 | C14 | N2 | H20 | 180.0° | 179.8° |
| C4 | N4 | C1 | C13 | 177.1° | 180.0° |
| C4 | N4 | C1 | N2 | 179.7° | 180.0° |
| C4 | N4 | C13 | O6 | 24.7° | 23.5° |
| C4 | N4 | C13 | C12 | 91.1° | 91.8° |
| C4 | N4 | C13 | H19 | 142.9° | 145.8° |
| O5 | C9 | C10 | O6 | 13.5° | 69.7° |
| O5 | C9 | C10 | H12 | 120.1° | 120.0° |
| O5 | C9 | C10 | H13 | 120.1° | 120.0° |
| O5 | C9 | C10 | C11 | 134.9° | 175.0° |
| O5 | C9 | H12 | H13 | 119.6° | 119.9° |
| O5 | C9 | C10 | H14 | 108.6° | 52.8° |
| N4 | C1 | N2 | C14 | 178.7° | 179.8° |
| C1 | N4 | C13 | O6 | 151.4° | 156.5° |
| C1 | N4 | C13 | C12 | 92.7° | 88.1° |
| C1 | N4 | C4 | H1 | 179.0° | 180.0° |
| C1 | N4 | C13 | H19 | 33.3° | 34.2° |
| N2 | C1 | N4 | C13 | 2.6° | 0.1° |
| C1 | N2 | C14 | H20 | 179.2° | 179.8° |
| N4 | C13 | O6 | C12 | 122.8° | 118.8° |
| N4 | C13 | O6 | H19 | 117.7° | 122.3° |
| N4 | C13 | O6 | C10 | 116.2° | 159.4° |
| N4 | C13 | C12 | H19 | 125.4° | 122.4° |
| N4 | C13 | C12 | C11 | 86.0° | 142.8° |
| N4 | C13 | C12 | O8 | 163.6° | 98.6° |
| C13 | N4 | C4 | H1 | 2.5° | 0.0° |
| N4 | C13 | C12 | H17 | 35.3° | 24.1° |
| O6 | C13 | C12 | H19 | 119.2° | 118.8° |
| C13 | O6 | C10 | C9 | 145.3° | 159.3° |
| C13 | O6 | C10 | C11 | 18.3° | 40.5° |
| O6 | C13 | C12 | C11 | 29.4° | 24.0° |
| O6 | C13 | C12 | O8 | 81.0° | 142.6° |
| C13 | O6 | C10 | H14 | 93.4° | 78.3° |
| O6 | C13 | C12 | H17 | 150.7° | 94.7° |
| C10 | O6 | C13 | C12 | 6.6° | 40.6° |
| O6 | C10 | C9 | C11 | 121.4° | 115.3° |
| O6 | C10 | C9 | H14 | 122.1° | 122.4° |
| O6 | C10 | C11 | H14 | 112.6° | 118.9° |
| O6 | C10 | C11 | C12 | 36.3° | 24.0° |
| O6 | C10 | C11 | O7 | 152.5° | 142.6° |
| O6 | C10 | C9 | H12 | 106.6° | 50.4° |
| O6 | C10 | C9 | H13 | 133.6° | 170.3° |
| O6 | C10 | C11 | H15 | 83.0° | 94.8° |
| C10 | O6 | C13 | H19 | 126.1° | 78.3° |
| C13 | C12 | C11 | C10 | 40.7° | 0.0° |
| C13 | C12 | C11 | O8 | 114.2° | 118.6° |
| C13 | C12 | C11 | H17 | 121.7° | 118.8° |
| C13 | C12 | O8 | H17 | 127.6° | 122.8° |
| C13 | C12 | C11 | O7 | 158.7° | 118.6° |
| C13 | C12 | C11 | H15 | 78.1° | 118.7° |
| C13 | C12 | O8 | H18 | 180.0° | 176.1° |
| C9 | C10 | C11 | H14 | 116.3° | 122.3° |
| C9 | C10 | C11 | C12 | 167.3° | 142.8° |
| C9 | C10 | C11 | O7 | 76.5° | 98.6° |
| C10 | C9 | H12 | H13 | 119.6° | 120.0° |
| C9 | C10 | C11 | H15 | 48.0° | 24.0° |
| C10 | C11 | C12 | O7 | 118.0° | 118.6° |
| C10 | C11 | C12 | H15 | 118.8° | 118.7° |
| C10 | C11 | C12 | O8 | 73.5° | 118.6° |
| C10 | C11 | O7 | H15 | 124.1° | 122.6° |
| C11 | C10 | C9 | H12 | 14.8° | 65.0° |
| C11 | C10 | C9 | H13 | 105.0° | 55.0° |
| C10 | C11 | O7 | H16 | 180.0° | 180.0° |
| C10 | C11 | C12 | H17 | 162.4° | 118.8° |
| C11 | C12 | O8 | H17 | 123.0° | 122.6° |
| C12 | C11 | O7 | H15 | 123.1° | 122.7° |
| C12 | C11 | C10 | H14 | 76.4° | 95.0° |
| C12 | C11 | O7 | H16 | 67.2° | 65.4° |
| C11 | C12 | O8 | H18 | 70.6° | 61.5° |
| C11 | C12 | C13 | H19 | 148.6° | 94.8° |
| O8 | C12 | C11 | O7 | 44.5° | 0.0° |
| O8 | C12 | C11 | H15 | 167.7° | 122.7° |
| O8 | C12 | C13 | H19 | 38.2° | 23.8° |
| O7 | C11 | C10 | H14 | 39.8° | 23.7° |
| O7 | C11 | C12 | H17 | 79.6° | 122.6° |
| H2 | C5 | H3 | H4 | 120.0° | 119.9° |
| H2 | C5 | C6 | H5 | 60.2° | 60.0° |
| H3 | C5 | C6 | H5 | 179.9° | 60.1° |
| H4 | C5 | C6 | H5 | 59.8° | 180.0° |
| H5 | C6 | N3 | H6 | 60.6° | 56.1° |
| H5 | C6 | N3 | H7 | 179.5° | 180.0° |
| H5 | C6 | C7 | H9 | 62.1° | 65.0° |
| H5 | C6 | C7 | H10 | 176.6° | 175.1° |
| H12 | C9 | C10 | H14 | 131.3° | 172.8° |
| H13 | C9 | C10 | H14 | 11.6° | 67.2° |
| H14 | C10 | C11 | H15 | 164.4° | 146.3° |
| H15 | C11 | O7 | H16 | 55.9° | 57.4° |
| H15 | C11 | C12 | H17 | 43.6° | 0.1° |
| H17 | C12 | O8 | H18 | 52.4° | 61.1° |
| H17 | C12 | C13 | H19 | 90.1° | 146.4° |
