Y9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.27Å | |
| C | N | sing | 1.35Å | 1.33Å | |
| C | C3 | sing | 1.41Å | 1.46Å | |
| N | C1 | sing | 1.36Å | 1.36Å | |
| C3 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.47Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| C1 | N1 | sing | 1.37Å | 1.34Å | |
| C1 | N2 | doub | 1.31Å | 1.34Å | |
| C4 | N4 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | N2 | sing | 1.34Å | 1.35Å | |
| C2 | N4 | sing | 1.37Å | 1.32Å | Aromatic |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| O9 | P | doub | 1.48Å | 1.57Å | |
| N4 | C5 | sing | 1.46Å | 1.47Å | |
| C6 | C5 | sing | 1.55Å | 1.51Å | |
| C6 | C7 | sing | 1.55Å | 1.51Å | |
| C5 | O11 | sing | 1.44Å | 1.42Å | |
| P | O3 | sing | 1.61Å | 1.58Å | |
| P | O10 | sing | 1.61Å | 1.46Å | |
| P | O4 | sing | 1.61Å | 1.64Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| O8 | P1 | doub | 1.48Å | 1.46Å | |
| C7 | O2 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| O11 | C8 | sing | 1.44Å | 1.44Å | |
| O4 | P1 | sing | 1.61Å | 1.61Å | |
| P1 | O7 | sing | 1.61Å | 1.58Å | |
| P1 | O5 | sing | 1.61Å | 1.56Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | N5 | sing | 1.47Å | 1.46Å | |
| O5 | C10 | sing | 1.43Å | 1.43Å | |
| N5 | C12 | sing | 1.35Å | 1.35Å | |
| O6 | C12 | doub | 1.21Å | 1.21Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| N5 | H8 | sing | 0.97Å | 1.00Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| O7 | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| O10 | H17 | sing | 0.97Å | 0.95Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 122.7° | 120.8° |
| O | C | C3 | 120.9° | 120.9° |
| N | C | C3 | 116.4° | 118.3° |
| C | N | C1 | 122.7° | 120.4° |
| C | N | H1 | 118.6° | 119.8° |
| C | C3 | N3 | 134.3° | 134.1° |
| C | C3 | C2 | 117.9° | 118.6° |
| N | C1 | N1 | 118.2° | 119.1° |
| N | C1 | N2 | 124.7° | 121.9° |
| C1 | N | H1 | 118.6° | 119.9° |
| N3 | C3 | C2 | 107.8° | 107.2° |
| C3 | N3 | C4 | 106.9° | 109.3° |
| C3 | C2 | N2 | 120.5° | 119.6° |
| C3 | C2 | N4 | 104.2° | 106.1° |
| N3 | C4 | N4 | 110.3° | 109.8° |
| N3 | C4 | H6 | 124.8° | 125.0° |
| N1 | C1 | N2 | 117.0° | 119.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C1 | N1 | H3 | 120.0° | 120.0° |
| C1 | N2 | C2 | 117.5° | 121.2° |
| C4 | N4 | C2 | 110.7° | 107.5° |
| C4 | N4 | C5 | 126.8° | 126.2° |
| N4 | C4 | H6 | 124.9° | 125.2° |
| N2 | C2 | N4 | 135.2° | 134.2° |
| C2 | N4 | C5 | 122.3° | 126.3° |
| O1 | C6 | C5 | 108.5° | 110.5° |
| O1 | C6 | C7 | 115.2° | 110.5° |
| C6 | O1 | H4 | 109.5° | 114.0° |
| O1 | C6 | H9 | 110.9° | 110.5° |
| O9 | P | O3 | 110.1° | 109.5° |
| O9 | P | O10 | 114.1° | 109.4° |
| O9 | P | O4 | 110.8° | 109.5° |
| N4 | C5 | C6 | 111.2° | 110.4° |
| N4 | C5 | O11 | 108.0° | 110.4° |
| N4 | C5 | H7 | 109.9° | 110.4° |
| C5 | C6 | C7 | 102.6° | 104.1° |
| C6 | C5 | O11 | 107.7° | 104.8° |
| C6 | C5 | H7 | 109.4° | 110.4° |
| C5 | C6 | H9 | 109.6° | 110.5° |
| C6 | C7 | O2 | 109.2° | 110.5° |
| C6 | C7 | C8 | 103.0° | 104.1° |
| C7 | C6 | H9 | 109.5° | 110.6° |
| C6 | C7 | H10 | 111.6° | 110.5° |
| C5 | O11 | C8 | 108.3° | 105.3° |
| O11 | C5 | H7 | 110.7° | 110.3° |
| O3 | P | O10 | 112.8° | 109.5° |
| O3 | P | O4 | 99.6° | 109.5° |
| P | O3 | C9 | 119.3° | 123.0° |
| O10 | P | O4 | 108.3° | 109.5° |
| P | O10 | H17 | 109.5° | 114.0° |
| P | O4 | P1 | 125.0° | 134.0° |
| O3 | C9 | C8 | 107.5° | 109.5° |
| O3 | C9 | H13 | 109.9° | 109.5° |
| O3 | C9 | H14 | 110.0° | 109.5° |
| O8 | P1 | O4 | 114.8° | 109.5° |
| O8 | P1 | O7 | 111.4° | 109.5° |
| O8 | P1 | O5 | 110.6° | 109.5° |
| O2 | C7 | C8 | 107.6° | 110.5° |
| C7 | O2 | H5 | 109.5° | 114.0° |
| O2 | C7 | H10 | 113.5° | 110.4° |
| C7 | C8 | O11 | 107.9° | 104.8° |
| C7 | C8 | C9 | 109.7° | 110.4° |
| C8 | C7 | H10 | 111.4° | 110.6° |
| C7 | C8 | H12 | 109.2° | 110.4° |
| O11 | C8 | C9 | 110.6° | 110.4° |
| O11 | C8 | H12 | 110.3° | 110.5° |
| O4 | P1 | O7 | 108.1° | 109.4° |
| O4 | P1 | O5 | 105.4° | 109.5° |
| O7 | P1 | O5 | 105.9° | 109.5° |
| P1 | O7 | H11 | 109.5° | 114.0° |
| P1 | O5 | C10 | 119.2° | 123.0° |
| C9 | C8 | H12 | 109.1° | 110.3° |
| C8 | C9 | H13 | 110.0° | 109.5° |
| C8 | C9 | H14 | 110.0° | 109.5° |
| C10 | C11 | N5 | 109.6° | 109.5° |
| C11 | C10 | O5 | 114.7° | 109.5° |
| C11 | C10 | H15 | 108.2° | 109.4° |
| C11 | C10 | H16 | 108.2° | 109.5° |
| C10 | C11 | H18 | 109.5° | 109.5° |
| C10 | C11 | H19 | 109.4° | 109.5° |
| C11 | N5 | C12 | 125.6° | 120.0° |
| C11 | N5 | H8 | 117.2° | 120.0° |
| N5 | C11 | H18 | 109.4° | 109.4° |
| N5 | C11 | H19 | 109.4° | 109.5° |
| O5 | C10 | H15 | 108.2° | 109.5° |
| O5 | C10 | H16 | 108.2° | 109.5° |
| N5 | C12 | O6 | 125.9° | 120.0° |
| N5 | C12 | C13 | 114.7° | 120.0° |
| C12 | N5 | H8 | 117.2° | 120.0° |
| O6 | C12 | C13 | 119.1° | 120.0° |
| C12 | C13 | H20 | 109.5° | 109.5° |
| C12 | C13 | H21 | 109.5° | 109.5° |
| C12 | C13 | H22 | 109.5° | 109.5° |
| H2 | N1 | H3 | 120.0° | 120.0° |
| H13 | C9 | H14 | 109.4° | 109.4° |
| H15 | C10 | H16 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C3 | 176.7° | 179.9° |
| O | C | N | C1 | 179.5° | 180.0° |
| O | C | C3 | N3 | 0.7° | 0.0° |
| O | C | C3 | C2 | 178.9° | 179.5° |
| O | C | N | H1 | 0.5° | 0.2° |
| C | N | C1 | H1 | 180.0° | 179.8° |
| N | C | C3 | N3 | 177.5° | 179.9° |
| N | C | C3 | C2 | 2.1° | 0.6° |
| C | N | C1 | N1 | 177.5° | 179.8° |
| C | N | C1 | N2 | 5.7° | 0.2° |
| C3 | C | N | C1 | 3.8° | 0.1° |
| C | C3 | N3 | C2 | 179.7° | 179.5° |
| C | C3 | N3 | C4 | 179.9° | 180.0° |
| C | C3 | C2 | N2 | 2.2° | 0.8° |
| C | C3 | C2 | N4 | 177.9° | 179.6° |
| C3 | C | N | H1 | 176.2° | 179.7° |
| N | C1 | N1 | N2 | 177.0° | 180.0° |
| N | C1 | N2 | C2 | 5.4° | 0.0° |
| N | C1 | N1 | H2 | 176.9° | 0.0° |
| N | C1 | N1 | H3 | 3.0° | 180.0° |
| C3 | N3 | C4 | N4 | 1.6° | 0.0° |
| N3 | C3 | C2 | N2 | 177.5° | 179.6° |
| N3 | C3 | C2 | N4 | 2.4° | 0.8° |
| C3 | N3 | C4 | H6 | 178.4° | 180.0° |
| C2 | C3 | N3 | C4 | 0.5° | 0.5° |
| C3 | C2 | N2 | C1 | 3.7° | 0.5° |
| C3 | C2 | N4 | C4 | 3.4° | 0.8° |
| C3 | C2 | N2 | N4 | 179.8° | 178.4° |
| C3 | C2 | N4 | C5 | 177.8° | 178.5° |
| N3 | C4 | N4 | H6 | 180.0° | 180.0° |
| N3 | C4 | N4 | C2 | 3.3° | 0.5° |
| N3 | C4 | N4 | C5 | 177.5° | 178.7° |
| N1 | C1 | N2 | C2 | 177.8° | 180.0° |
| N1 | C1 | N | H1 | 2.5° | 0.1° |
| C1 | N1 | H2 | H3 | 180.0° | 180.0° |
| C1 | N2 | C2 | N4 | 176.5° | 178.9° |
| N2 | C1 | N | H1 | 174.2° | 179.9° |
| N2 | C1 | N1 | H2 | 0.0° | 180.0° |
| N2 | C1 | N1 | H3 | 180.0° | 0.0° |
| C4 | N4 | C2 | N2 | 176.5° | 179.3° |
| C4 | N4 | C2 | C5 | 174.4° | 179.2° |
| C4 | N4 | C5 | C6 | 53.5° | 92.7° |
| C4 | N4 | C5 | O11 | 64.3° | 22.6° |
| C4 | N4 | C5 | H7 | 174.8° | 144.9° |
| N2 | C2 | N4 | C5 | 2.0° | 0.1° |
| C2 | N4 | C5 | C6 | 133.0° | 88.2° |
| C2 | N4 | C5 | O11 | 109.2° | 156.4° |
| C2 | N4 | C4 | H6 | 176.7° | 179.5° |
| C2 | N4 | C5 | H7 | 11.7° | 34.2° |
| O1 | C6 | C5 | N4 | 88.3° | 98.5° |
| O1 | C6 | C5 | C7 | 122.4° | 118.7° |
| O1 | C6 | C5 | H9 | 121.3° | 122.6° |
| O1 | C6 | C7 | H9 | 125.9° | 122.7° |
| O1 | C6 | C5 | O11 | 153.6° | 142.6° |
| O1 | C6 | C7 | O2 | 34.0° | 0.0° |
| O1 | C6 | C7 | C8 | 148.1° | 118.7° |
| O1 | C6 | C5 | H7 | 33.3° | 23.8° |
| O1 | C6 | C7 | H10 | 92.3° | 122.6° |
| O9 | P | O3 | O10 | 128.8° | 120.0° |
| O9 | P | O3 | O4 | 116.5° | 120.0° |
| O9 | P | O10 | O4 | 124.0° | 120.0° |
| O9 | P | O3 | C9 | 167.9° | 55.0° |
| O9 | P | O4 | P1 | 62.8° | 40.0° |
| O9 | P | O10 | H17 | 0.0° | 180.0° |
| N4 | C5 | C6 | O11 | 118.1° | 118.9° |
| N4 | C5 | C6 | H7 | 121.6° | 122.4° |
| N4 | C5 | C6 | C7 | 149.3° | 142.8° |
| N4 | C5 | O11 | H7 | 120.4° | 122.3° |
| N4 | C5 | O11 | C8 | 139.0° | 159.3° |
| C5 | N4 | C4 | H6 | 2.5° | 1.3° |
| N4 | C5 | C6 | H9 | 33.0° | 24.0° |
| C5 | C6 | C7 | H9 | 116.4° | 118.7° |
| C6 | C5 | O11 | H7 | 119.5° | 118.9° |
| C5 | C6 | C7 | O2 | 83.8° | 118.7° |
| C5 | C6 | C7 | C8 | 30.4° | 0.0° |
| C6 | C5 | O11 | C8 | 18.8° | 40.5° |
| C5 | C6 | O1 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H10 | 150.0° | 118.8° |
| C7 | C6 | C5 | O11 | 31.2° | 24.0° |
| C6 | C7 | O2 | C8 | 111.1° | 114.7° |
| C6 | C7 | O2 | H10 | 125.1° | 122.6° |
| C6 | C7 | C8 | H10 | 119.7° | 118.7° |
| C6 | C7 | C8 | O11 | 20.5° | 23.9° |
| C6 | C7 | C8 | C9 | 100.0° | 142.8° |
| C7 | C6 | O1 | H4 | 65.6° | 65.3° |
| C6 | C7 | O2 | H5 | 180.0° | 61.4° |
| C7 | C6 | C5 | H7 | 89.1° | 94.8° |
| C6 | C7 | C8 | H12 | 140.4° | 95.0° |
| C5 | O11 | C8 | C7 | 1.4° | 40.5° |
| C5 | O11 | C8 | C9 | 118.6° | 159.4° |
| O11 | C5 | C6 | H9 | 85.1° | 94.8° |
| C5 | O11 | C8 | H12 | 120.6° | 78.4° |
| O3 | P | O10 | O4 | 109.3° | 120.0° |
| O3 | P | O4 | P1 | 178.8° | 160.1° |
| P | O3 | C9 | C8 | 154.7° | 180.0° |
| P | O3 | C9 | H13 | 35.0° | 59.9° |
| P | O3 | C9 | H14 | 85.6° | 60.0° |
| O3 | P | O10 | H17 | 126.7° | 60.0° |
| O10 | P | O3 | C9 | 63.2° | 65.0° |
| O10 | P | O4 | P1 | 63.1° | 79.9° |
| O4 | P | O3 | C9 | 51.4° | 175.0° |
| P | O4 | P1 | O8 | 13.1° | 39.9° |
| P | O4 | P1 | O7 | 138.2° | 80.0° |
| P | O4 | P1 | O5 | 108.9° | 160.0° |
| O4 | P | O10 | H17 | 124.0° | 60.0° |
| O3 | C9 | C8 | C7 | 50.0° | 175.0° |
| O3 | C9 | C8 | O11 | 68.9° | 69.6° |
| O3 | C9 | C8 | H13 | 119.7° | 120.0° |
| O3 | C9 | C8 | H14 | 119.7° | 120.1° |
| O3 | C9 | C8 | H12 | 169.6° | 52.8° |
| O3 | C9 | H13 | H14 | 120.9° | 120.0° |
| O8 | P1 | O4 | O7 | 125.1° | 120.0° |
| O8 | P1 | O4 | O5 | 121.9° | 120.0° |
| O8 | P1 | O7 | O5 | 120.4° | 120.0° |
| O8 | P1 | O5 | C10 | 5.6° | 55.0° |
| O8 | P1 | O7 | H11 | 0.0° | 180.0° |
| O2 | C7 | C8 | H10 | 125.0° | 122.6° |
| O2 | C7 | C8 | O11 | 94.8° | 142.6° |
| O2 | C7 | C8 | C9 | 144.7° | 98.5° |
| O2 | C7 | C6 | H9 | 159.9° | 122.7° |
| O2 | C7 | C8 | H12 | 25.2° | 23.7° |
| C7 | C8 | O11 | C9 | 120.0° | 118.9° |
| C7 | C8 | O11 | H12 | 119.2° | 118.8° |
| C7 | C8 | C9 | H12 | 119.6° | 122.2° |
| C8 | C7 | O2 | H5 | 68.9° | 176.1° |
| C8 | C7 | C6 | H9 | 86.0° | 118.6° |
| C7 | C8 | C9 | H13 | 69.6° | 65.0° |
| C7 | C8 | C9 | H14 | 169.7° | 54.9° |
| O11 | C8 | C9 | H12 | 121.5° | 122.4° |
| C8 | O11 | C5 | H7 | 100.7° | 78.4° |
| O11 | C8 | C7 | H10 | 140.2° | 94.8° |
| O11 | C8 | C9 | H13 | 171.4° | 50.4° |
| O11 | C8 | C9 | H14 | 50.8° | 170.3° |
| O4 | P1 | O7 | O5 | 112.6° | 120.0° |
| O4 | P1 | O5 | C10 | 119.0° | 175.1° |
| O4 | P1 | O7 | H11 | 127.1° | 60.0° |
| O7 | P1 | O5 | C10 | 126.5° | 65.0° |
| P1 | O5 | C10 | C11 | 71.9° | 180.0° |
| O5 | P1 | O7 | H11 | 120.3° | 60.0° |
| P1 | O5 | C10 | H15 | 48.9° | 60.1° |
| P1 | O5 | C10 | H16 | 167.4° | 59.9° |
| C9 | C8 | C7 | H10 | 19.7° | 24.1° |
| C8 | C9 | H13 | H14 | 120.9° | 120.0° |
| C10 | C11 | N5 | H18 | 120.0° | 120.0° |
| C10 | C11 | N5 | H19 | 120.0° | 120.0° |
| C11 | C10 | O5 | H15 | 120.8° | 119.9° |
| C11 | C10 | O5 | H16 | 120.8° | 120.1° |
| C10 | C11 | N5 | C12 | 93.7° | 180.0° |
| C10 | C11 | N5 | H8 | 86.3° | 0.0° |
| C11 | C10 | H15 | H16 | 117.6° | 120.0° |
| C10 | C11 | H18 | H19 | 119.9° | 120.0° |
| N5 | C11 | C10 | O5 | 108.4° | 64.9° |
| C11 | N5 | C12 | H8 | 180.0° | 180.0° |
| C11 | N5 | C12 | O6 | 24.2° | 0.0° |
| C11 | N5 | C12 | C13 | 149.2° | 180.0° |
| N5 | C11 | C10 | H15 | 130.8° | 55.0° |
| N5 | C11 | C10 | H16 | 12.4° | 175.0° |
| N5 | C11 | H18 | H19 | 119.9° | 120.0° |
| O5 | C10 | H15 | H16 | 117.6° | 120.1° |
| O5 | C10 | C11 | H18 | 131.6° | 55.0° |
| O5 | C10 | C11 | H19 | 11.7° | 175.0° |
| N5 | C12 | O6 | C13 | 173.1° | 180.0° |
| C12 | N5 | C11 | H18 | 146.3° | 60.0° |
| C12 | N5 | C11 | H19 | 26.4° | 60.0° |
| N5 | C12 | C13 | H20 | 173.9° | 0.1° |
| N5 | C12 | C13 | H21 | 53.9° | 120.0° |
| N5 | C12 | C13 | H22 | 66.1° | 120.0° |
| O6 | C12 | N5 | H8 | 155.8° | 180.0° |
| O6 | C12 | C13 | H20 | 0.0° | 180.0° |
| O6 | C12 | C13 | H21 | 120.0° | 60.0° |
| O6 | C12 | C13 | H22 | 120.0° | 60.0° |
| C13 | C12 | N5 | H8 | 30.8° | 0.0° |
| C12 | C13 | H20 | H21 | 120.0° | 120.0° |
| C12 | C13 | H20 | H22 | 120.0° | 120.1° |
| C12 | C13 | H21 | H22 | 120.0° | 120.0° |
| H4 | O1 | C6 | H9 | 59.6° | 57.4° |
| H5 | O2 | C7 | H10 | 54.9° | 61.2° |
| H7 | C5 | C6 | H9 | 154.5° | 146.4° |
| H8 | N5 | C11 | H18 | 33.7° | 120.0° |
| H8 | N5 | C11 | H19 | 153.6° | 120.0° |
| H9 | C6 | C7 | H10 | 33.6° | 0.1° |
| H10 | C7 | C8 | H12 | 99.8° | 146.3° |
| H12 | C8 | C9 | H13 | 49.9° | 172.8° |
| H12 | C8 | C9 | H14 | 70.7° | 67.3° |
| H15 | C10 | C11 | H18 | 10.8° | 175.0° |
| H15 | C10 | C11 | H19 | 109.1° | 65.1° |
| H16 | C10 | C11 | H18 | 107.6° | 65.1° |
| H16 | C10 | C11 | H19 | 132.4° | 54.9° |
| H20 | C13 | H21 | H22 | 120.0° | 120.0° |
