YC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | P12 | doub | 1.48Å | 1.42Å | |
| O14 | P12 | sing | 1.61Å | 1.45Å | |
| P12 | O15 | sing | 1.61Å | 1.45Å | |
| P12 | C11 | sing | 1.82Å | 1.83Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.36Å | 1.30Å | Aromatic |
| C05 | C04 | doub | 1.35Å | 1.39Å | Aromatic |
| C16 | C09 | sing | 1.53Å | 1.56Å | |
| C16 | O17 | sing | 1.43Å | 1.41Å | |
| C09 | N08 | sing | 1.47Å | 1.48Å | |
| N06 | C02 | sing | 1.38Å | 1.31Å | Aromatic |
| C04 | C07 | sing | 1.51Å | 1.54Å | |
| C04 | C03 | sing | 1.41Å | 1.39Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.47Å | |
| C02 | C03 | doub | 1.40Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.41Å | 1.50Å | |
| O21 | C01 | doub | 1.22Å | 1.14Å | |
| C03 | N18 | sing | 1.35Å | 1.46Å | |
| C01 | N20 | sing | 1.35Å | 1.39Å | |
| N18 | C19 | doub | 1.30Å | 1.45Å | |
| N20 | C19 | sing | 1.36Å | 1.43Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| N06 | H1 | sing | 0.97Å | 1.00Å | |
| N08 | H2 | sing | 1.01Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| O14 | H3 | sing | 0.97Å | 0.95Å | |
| O15 | H4 | sing | 0.97Å | 0.95Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | P12 | O14 | 110.5° | 109.5° |
| O13 | P12 | O15 | 119.7° | 109.5° |
| O13 | P12 | C11 | 102.0° | 109.4° |
| O14 | P12 | O15 | 103.9° | 109.5° |
| O14 | P12 | C11 | 108.9° | 109.5° |
| P12 | O14 | H3 | 109.5° | 114.0° |
| O15 | P12 | C11 | 111.8° | 109.5° |
| P12 | O15 | H4 | 109.5° | 114.0° |
| P12 | C11 | C10 | 108.8° | 109.5° |
| P12 | C11 | H112 | 109.6° | 109.5° |
| P12 | C11 | H111 | 109.6° | 109.5° |
| C11 | C10 | C09 | 114.4° | 109.5° |
| C11 | C10 | H101 | 108.2° | 109.4° |
| C11 | C10 | H102 | 108.2° | 109.5° |
| C10 | C11 | H112 | 109.7° | 109.4° |
| C10 | C11 | H111 | 109.6° | 109.5° |
| C10 | C09 | C16 | 113.0° | 109.5° |
| C10 | C09 | N08 | 112.9° | 109.5° |
| C09 | C10 | H101 | 108.2° | 109.5° |
| C09 | C10 | H102 | 108.2° | 109.5° |
| C10 | C09 | H091 | 105.5° | 109.4° |
| N06 | C05 | C04 | 110.1° | 109.5° |
| C05 | N06 | C02 | 108.9° | 108.8° |
| N06 | C05 | H051 | 124.9° | 125.3° |
| C05 | N06 | H1 | 125.6° | 125.6° |
| C05 | C04 | C07 | 128.0° | 126.1° |
| C05 | C04 | C03 | 104.7° | 107.8° |
| C04 | C05 | H051 | 125.0° | 125.2° |
| C09 | C16 | O17 | 107.6° | 109.4° |
| C16 | C09 | N08 | 113.1° | 109.5° |
| C16 | C09 | H091 | 105.4° | 109.4° |
| C09 | C16 | H162 | 109.9° | 109.5° |
| C09 | C16 | H161 | 110.0° | 109.4° |
| O17 | C16 | H162 | 109.9° | 109.5° |
| O17 | C16 | H161 | 109.9° | 109.5° |
| C16 | O17 | H171 | 109.5° | 114.0° |
| C09 | N08 | C07 | 121.8° | 111.0° |
| N08 | C09 | H091 | 106.1° | 109.5° |
| C09 | N08 | H2 | 106.3° | 111.0° |
| N06 | C02 | C03 | 110.3° | 107.3° |
| N06 | C02 | C01 | 130.1° | 134.2° |
| C02 | N06 | H1 | 125.6° | 125.6° |
| C07 | C04 | C03 | 127.2° | 126.1° |
| C04 | C07 | N08 | 113.5° | 109.5° |
| C04 | C07 | H072 | 108.4° | 109.5° |
| C04 | C07 | H071 | 108.4° | 109.5° |
| C04 | C03 | C02 | 106.0° | 106.6° |
| C04 | C03 | N18 | 135.0° | 134.0° |
| N08 | C07 | H072 | 108.4° | 109.4° |
| N08 | C07 | H071 | 108.4° | 109.5° |
| C07 | N08 | H2 | 106.3° | 111.0° |
| C03 | C02 | C01 | 119.6° | 118.5° |
| C02 | C03 | N18 | 119.0° | 119.4° |
| C02 | C01 | O21 | 119.1° | 120.8° |
| C02 | C01 | N20 | 122.0° | 118.4° |
| O21 | C01 | N20 | 118.9° | 120.8° |
| C03 | N18 | C19 | 121.0° | 121.0° |
| C01 | N20 | C19 | 118.8° | 120.6° |
| C01 | N20 | H201 | 120.6° | 119.7° |
| N18 | C19 | N20 | 119.5° | 122.1° |
| N18 | C19 | H191 | 120.2° | 118.9° |
| N20 | C19 | H191 | 120.2° | 119.0° |
| C19 | N20 | H201 | 120.6° | 119.7° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | P12 | O14 | O15 | 129.5° | 120.1° |
| O13 | P12 | O14 | C11 | 111.2° | 119.9° |
| O13 | P12 | O15 | C11 | 119.0° | 120.0° |
| O13 | P12 | C11 | C10 | 157.9° | 55.0° |
| O13 | P12 | C11 | H112 | 38.0° | 65.0° |
| O13 | P12 | C11 | H111 | 82.2° | 175.0° |
| O13 | P12 | O14 | H3 | 0.0° | 60.0° |
| O13 | P12 | O15 | H4 | 0.0° | 180.0° |
| O14 | P12 | O15 | C11 | 117.2° | 120.0° |
| O14 | P12 | C11 | C10 | 85.3° | 175.0° |
| O14 | P12 | C11 | H112 | 154.8° | 55.0° |
| O14 | P12 | C11 | H111 | 34.6° | 65.1° |
| O14 | P12 | O15 | H4 | 123.7° | 60.0° |
| O15 | P12 | C11 | C10 | 28.9° | 65.0° |
| O15 | P12 | C11 | H112 | 91.0° | 175.0° |
| O15 | P12 | C11 | H111 | 148.7° | 55.0° |
| O15 | P12 | O14 | H3 | 129.5° | 60.0° |
| P12 | C11 | C10 | H112 | 119.9° | 120.0° |
| P12 | C11 | C10 | H111 | 119.9° | 120.0° |
| P12 | C11 | C10 | C09 | 155.8° | 180.0° |
| P12 | C11 | C10 | H101 | 35.1° | 60.0° |
| P12 | C11 | C10 | H102 | 83.5° | 60.0° |
| P12 | C11 | H112 | H111 | 120.3° | 120.0° |
| C11 | P12 | O14 | H3 | 111.3° | 180.0° |
| C11 | P12 | O15 | H4 | 119.1° | 60.0° |
| C11 | C10 | C09 | H101 | 120.7° | 120.0° |
| C11 | C10 | C09 | H102 | 120.7° | 120.0° |
| C11 | C10 | C09 | C16 | 29.4° | 175.0° |
| C11 | C10 | C09 | N08 | 159.4° | 65.0° |
| C11 | C10 | H101 | H102 | 117.8° | 120.0° |
| C11 | C10 | C09 | H091 | 85.2° | 55.0° |
| C10 | C11 | H112 | H111 | 120.4° | 120.0° |
| C10 | C09 | C16 | N08 | 129.9° | 120.1° |
| C10 | C09 | C16 | H091 | 114.6° | 120.0° |
| C10 | C09 | C16 | O17 | 167.1° | 55.1° |
| C10 | C09 | N08 | H091 | 115.1° | 120.0° |
| C10 | C09 | N08 | C07 | 22.0° | 155.0° |
| C09 | C10 | H101 | H102 | 117.7° | 120.0° |
| C09 | C10 | C11 | H112 | 84.3° | 60.0° |
| C09 | C10 | C11 | H111 | 36.0° | 60.0° |
| C10 | C09 | C16 | H162 | 47.4° | 65.0° |
| C10 | C09 | C16 | H161 | 73.2° | 175.0° |
| C10 | C09 | N08 | H2 | 99.7° | 31.0° |
| N06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C05 | N06 | C02 | H1 | 180.0° | 180.0° |
| N06 | C05 | C04 | C07 | 179.9° | 180.0° |
| N06 | C05 | C04 | C03 | 0.3° | 0.0° |
| C05 | N06 | C02 | C03 | 0.8° | 0.1° |
| C05 | N06 | C02 | C01 | 179.7° | 180.0° |
| C04 | C05 | N06 | C02 | 0.7° | 0.1° |
| C05 | C04 | C07 | C03 | 179.7° | 180.0° |
| C05 | C04 | C07 | N08 | 100.1° | 100.0° |
| C05 | C04 | C03 | C02 | 0.2° | 0.0° |
| C05 | C04 | C03 | N18 | 179.8° | 179.9° |
| C05 | C04 | C07 | H072 | 20.5° | 20.0° |
| C05 | C04 | C07 | H071 | 139.4° | 140.0° |
| C04 | C05 | N06 | H1 | 179.3° | 179.9° |
| C09 | C16 | O17 | H162 | 119.7° | 120.0° |
| C09 | C16 | O17 | H161 | 119.7° | 119.9° |
| C16 | C09 | N08 | H091 | 115.0° | 120.0° |
| C16 | C09 | N08 | C07 | 151.9° | 84.9° |
| C16 | C09 | C10 | H101 | 150.1° | 55.0° |
| C16 | C09 | C10 | H102 | 91.3° | 65.0° |
| C09 | C16 | H162 | H161 | 120.9° | 120.0° |
| C16 | C09 | N08 | H2 | 30.2° | 151.1° |
| C09 | C16 | O17 | H171 | 180.0° | 180.0° |
| O17 | C16 | C09 | N08 | 37.2° | 65.0° |
| O17 | C16 | C09 | H091 | 78.3° | 175.0° |
| O17 | C16 | H162 | H161 | 120.8° | 120.1° |
| C09 | N08 | C07 | C04 | 91.3° | 180.0° |
| C09 | N08 | C07 | H2 | 121.7° | 124.0° |
| N08 | C09 | C10 | H101 | 79.9° | 175.0° |
| N08 | C09 | C10 | H102 | 38.6° | 55.1° |
| C09 | N08 | C07 | H072 | 29.3° | 60.0° |
| C09 | N08 | C07 | H071 | 148.2° | 60.0° |
| N08 | C09 | C16 | H162 | 82.5° | 175.0° |
| N08 | C09 | C16 | H161 | 156.9° | 54.9° |
| N06 | C02 | C03 | C04 | 0.6° | 0.0° |
| N06 | C02 | C03 | C01 | 179.5° | 179.9° |
| N06 | C02 | C01 | O21 | 0.4° | 0.2° |
| N06 | C02 | C03 | N18 | 179.7° | 180.0° |
| N06 | C02 | C01 | N20 | 179.3° | 180.0° |
| C02 | N06 | C05 | H051 | 179.3° | 179.9° |
| C04 | C07 | N08 | H072 | 120.6° | 120.0° |
| C04 | C07 | N08 | H071 | 120.6° | 120.0° |
| C07 | C04 | C03 | C02 | 179.6° | 180.0° |
| C07 | C04 | C03 | N18 | 0.0° | 0.0° |
| C07 | C04 | C05 | H051 | 0.1° | 0.1° |
| C04 | C07 | H072 | H071 | 118.2° | 120.0° |
| C04 | C07 | N08 | H2 | 30.5° | 56.0° |
| C03 | C04 | C07 | N08 | 80.2° | 80.0° |
| C04 | C03 | C02 | N18 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 179.9° | 180.0° |
| C04 | C03 | N18 | C19 | 179.5° | 180.0° |
| C03 | C04 | C05 | H051 | 179.7° | 179.9° |
| C03 | C04 | C07 | H072 | 159.2° | 160.0° |
| C03 | C04 | C07 | H071 | 40.4° | 40.0° |
| N08 | C07 | H072 | H071 | 118.2° | 120.0° |
| C07 | N08 | C09 | H091 | 93.1° | 35.0° |
| C03 | C02 | C01 | O21 | 179.8° | 179.7° |
| C03 | C02 | C01 | N20 | 0.0° | 0.0° |
| C02 | C03 | N18 | C19 | 0.0° | 0.1° |
| C03 | C02 | N06 | H1 | 179.1° | 179.9° |
| C02 | C01 | O21 | N20 | 179.7° | 179.8° |
| C01 | C02 | C03 | N18 | 0.2° | 0.1° |
| C02 | C01 | N20 | C19 | 0.5° | 0.0° |
| C01 | C02 | N06 | H1 | 0.3° | 0.0° |
| C02 | C01 | N20 | H201 | 179.5° | 179.9° |
| O21 | C01 | N20 | C19 | 179.8° | 179.8° |
| O21 | C01 | N20 | H201 | 0.2° | 0.3° |
| C03 | N18 | C19 | N20 | 0.5° | 0.0° |
| C03 | N18 | C19 | H191 | 179.5° | 180.0° |
| C01 | N20 | C19 | N18 | 0.7° | 0.0° |
| C01 | N20 | C19 | H201 | 180.0° | 179.9° |
| C01 | N20 | C19 | H191 | 179.3° | 180.0° |
| N18 | C19 | N20 | H191 | 180.0° | 180.0° |
| N18 | C19 | N20 | H201 | 179.3° | 179.9° |
| H101 | C10 | C09 | H091 | 35.6° | 65.0° |
| H101 | C10 | C11 | H112 | 154.9° | 180.0° |
| H101 | C10 | C11 | H111 | 84.8° | 60.0° |
| H102 | C10 | C09 | H091 | 154.1° | 175.0° |
| H102 | C10 | C11 | H112 | 36.4° | 60.0° |
| H102 | C10 | C11 | H111 | 156.7° | 179.9° |
| H051 | C05 | N06 | H1 | 0.7° | 0.1° |
| H072 | C07 | N08 | H2 | 151.1° | 63.9° |
| H071 | C07 | N08 | H2 | 90.1° | 176.1° |
| H091 | C09 | C16 | H162 | 162.0° | 55.0° |
| H091 | C09 | C16 | H161 | 41.4° | 65.0° |
| H091 | C09 | N08 | H2 | 145.2° | 89.0° |
| H162 | C16 | O17 | H171 | 60.3° | 60.0° |
| H161 | C16 | O17 | H171 | 60.3° | 60.1° |
| H191 | C19 | N20 | H201 | 0.7° | 0.1° |
