YCE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | P16 | doub | 1.48Å | 1.44Å | |
| O18 | P16 | sing | 1.61Å | 1.47Å | |
| P16 | O19 | sing | 1.61Å | 1.47Å | |
| P16 | C15 | sing | 1.82Å | 1.86Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O20 | sing | 1.43Å | 1.40Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C09 | N08 | sing | 1.36Å | 1.31Å | Aromatic |
| C09 | C10 | doub | 1.35Å | 1.40Å | Aromatic |
| N08 | C07 | sing | 1.38Å | 1.32Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C10 | C06 | sing | 1.41Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.36Å | Aromatic |
| C07 | C02 | sing | 1.41Å | 1.49Å | |
| N12 | C11 | sing | 1.47Å | 1.46Å | |
| O01 | C02 | doub | 1.22Å | 1.12Å | |
| C06 | N05 | sing | 1.35Å | 1.47Å | |
| C02 | N03 | sing | 1.35Å | 1.40Å | |
| N05 | C04 | doub | 1.30Å | 1.45Å | |
| N03 | C04 | sing | 1.36Å | 1.42Å | |
| N12 | H121 | sing | 1.01Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| O18 | H2 | sing | 0.97Å | 0.95Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | P16 | O18 | 109.5° | 109.5° |
| O17 | P16 | O19 | 116.1° | 109.5° |
| O17 | P16 | C15 | 98.5° | 109.5° |
| O18 | P16 | O19 | 104.2° | 109.4° |
| O18 | P16 | C15 | 115.1° | 109.5° |
| P16 | O18 | H2 | 109.5° | 114.0° |
| O19 | P16 | C15 | 113.8° | 109.5° |
| P16 | O19 | H3 | 109.5° | 114.0° |
| P16 | C15 | C14 | 114.2° | 109.5° |
| P16 | C15 | H152 | 108.3° | 109.5° |
| P16 | C15 | H151 | 108.3° | 109.5° |
| C15 | C14 | O20 | 112.6° | 109.5° |
| C15 | C14 | C13 | 112.4° | 109.5° |
| C14 | C15 | H152 | 108.3° | 109.4° |
| C14 | C15 | H151 | 108.3° | 109.5° |
| C15 | C14 | H141 | 106.5° | 109.4° |
| O20 | C14 | C13 | 110.8° | 109.5° |
| O20 | C14 | H141 | 107.9° | 109.5° |
| C14 | O20 | H201 | 109.5° | 114.0° |
| C14 | C13 | N12 | 113.3° | 109.4° |
| C14 | C13 | H131 | 108.5° | 109.5° |
| C14 | C13 | H132 | 108.5° | 109.5° |
| C13 | C14 | H141 | 106.2° | 109.5° |
| N08 | C09 | C10 | 108.8° | 109.4° |
| C09 | N08 | C07 | 108.4° | 108.8° |
| N08 | C09 | H091 | 125.6° | 125.3° |
| C09 | N08 | H081 | 125.8° | 125.6° |
| C09 | C10 | C11 | 131.1° | 126.1° |
| C09 | C10 | C06 | 106.2° | 107.8° |
| C10 | C09 | H091 | 125.6° | 125.3° |
| N08 | C07 | C06 | 111.2° | 107.4° |
| N08 | C07 | C02 | 131.9° | 134.1° |
| C07 | N08 | H081 | 125.8° | 125.6° |
| C13 | N12 | C11 | 114.4° | 111.0° |
| C13 | N12 | H121 | 108.2° | 111.0° |
| N12 | C13 | H131 | 108.5° | 109.5° |
| N12 | C13 | H132 | 108.5° | 109.5° |
| C11 | C10 | C06 | 122.8° | 126.1° |
| C10 | C11 | N12 | 111.4° | 109.5° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.4° |
| C10 | C06 | C07 | 105.5° | 106.6° |
| C10 | C06 | N05 | 133.8° | 134.0° |
| C06 | C07 | C02 | 116.9° | 118.5° |
| C07 | C06 | N05 | 120.7° | 119.5° |
| C07 | C02 | O01 | 116.1° | 120.8° |
| C07 | C02 | N03 | 124.1° | 118.4° |
| C11 | N12 | H121 | 108.2° | 111.0° |
| N12 | C11 | H112 | 109.0° | 109.5° |
| N12 | C11 | H111 | 109.0° | 109.5° |
| O01 | C02 | N03 | 119.8° | 120.9° |
| C06 | N05 | C04 | 121.4° | 121.0° |
| C02 | N03 | C04 | 118.6° | 120.6° |
| C02 | N03 | H031 | 120.7° | 119.7° |
| N05 | C04 | N03 | 118.3° | 122.1° |
| N05 | C04 | H041 | 120.8° | 119.0° |
| N03 | C04 | H041 | 120.9° | 118.9° |
| C04 | N03 | H031 | 120.7° | 119.8° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | P16 | O18 | O19 | 124.8° | 120.0° |
| O17 | P16 | O18 | C15 | 109.8° | 120.0° |
| O17 | P16 | O19 | C15 | 113.3° | 120.0° |
| O17 | P16 | C15 | C14 | 166.8° | 55.0° |
| O17 | P16 | C15 | H152 | 46.1° | 175.0° |
| O17 | P16 | C15 | H151 | 72.5° | 65.0° |
| O17 | P16 | O18 | H2 | 0.0° | 180.0° |
| O17 | P16 | O19 | H3 | 0.0° | 60.0° |
| O18 | P16 | O19 | C15 | 126.2° | 120.0° |
| O18 | P16 | C15 | C14 | 77.0° | 65.0° |
| O18 | P16 | C15 | H152 | 162.3° | 54.9° |
| O18 | P16 | C15 | H151 | 43.7° | 175.0° |
| O18 | P16 | O19 | H3 | 120.5° | 60.0° |
| O19 | P16 | C15 | C14 | 43.3° | 175.0° |
| O19 | P16 | C15 | H152 | 77.4° | 65.0° |
| O19 | P16 | C15 | H151 | 164.0° | 55.0° |
| O19 | P16 | O18 | H2 | 124.8° | 60.0° |
| P16 | C15 | C14 | H152 | 120.7° | 120.0° |
| P16 | C15 | C14 | H151 | 120.7° | 120.1° |
| P16 | C15 | C14 | O20 | 76.2° | 65.0° |
| P16 | C15 | C14 | C13 | 157.8° | 175.0° |
| P16 | C15 | H152 | H151 | 117.8° | 120.1° |
| P16 | C15 | C14 | H141 | 41.9° | 55.0° |
| C15 | P16 | O18 | H2 | 109.8° | 60.0° |
| C15 | P16 | O19 | H3 | 113.3° | 180.0° |
| C15 | C14 | O20 | C13 | 126.9° | 120.0° |
| C15 | C14 | O20 | H141 | 117.2° | 119.9° |
| C15 | C14 | C13 | H141 | 116.1° | 119.9° |
| C15 | C14 | C13 | N12 | 175.4° | 175.0° |
| C15 | C14 | C13 | H131 | 64.0° | 65.1° |
| C15 | C14 | C13 | H132 | 54.9° | 55.0° |
| C14 | C15 | H152 | H151 | 117.8° | 119.9° |
| C15 | C14 | O20 | H201 | 180.0° | 60.0° |
| O20 | C14 | C13 | H141 | 117.0° | 120.0° |
| O20 | C14 | C13 | N12 | 48.5° | 65.0° |
| O20 | C14 | C13 | H131 | 169.1° | 55.0° |
| O20 | C14 | C13 | H132 | 72.1° | 175.0° |
| O20 | C14 | C15 | H152 | 163.1° | 55.1° |
| O20 | C14 | C15 | H151 | 44.5° | 175.0° |
| C14 | C13 | N12 | H131 | 120.6° | 120.0° |
| C14 | C13 | N12 | H132 | 120.6° | 120.0° |
| C14 | C13 | N12 | C11 | 53.1° | 180.0° |
| C14 | C13 | N12 | H121 | 173.9° | 56.1° |
| C14 | C13 | H131 | H132 | 118.2° | 120.0° |
| C13 | C14 | C15 | H152 | 37.1° | 65.0° |
| C13 | C14 | C15 | H151 | 81.5° | 54.9° |
| C13 | C14 | O20 | H201 | 53.1° | 60.0° |
| N08 | C09 | C10 | H091 | 180.0° | 179.6° |
| C09 | N08 | C07 | H081 | 180.0° | 179.5° |
| N08 | C09 | C10 | C11 | 179.4° | 179.8° |
| N08 | C09 | C10 | C06 | 0.2° | 0.5° |
| C09 | N08 | C07 | C06 | 0.1° | 0.2° |
| C09 | N08 | C07 | C02 | 179.5° | 179.8° |
| C10 | C09 | N08 | C07 | 0.2° | 0.4° |
| C09 | C10 | C11 | C06 | 179.1° | 179.7° |
| C09 | C10 | C06 | C07 | 0.1° | 0.3° |
| C09 | C10 | C11 | N12 | 91.9° | 100.3° |
| C09 | C10 | C06 | N05 | 179.9° | 179.8° |
| C09 | C10 | C11 | H112 | 28.4° | 19.7° |
| C09 | C10 | C11 | H111 | 147.9° | 139.7° |
| C10 | C09 | N08 | H081 | 179.8° | 180.0° |
| N08 | C07 | C06 | C10 | 0.0° | 0.0° |
| N08 | C07 | C06 | C02 | 179.7° | 180.0° |
| N08 | C07 | C02 | O01 | 0.5° | 0.0° |
| N08 | C07 | C06 | N05 | 180.0° | 179.9° |
| N08 | C07 | C02 | N03 | 179.8° | 179.9° |
| C07 | N08 | C09 | H091 | 179.8° | 180.0° |
| C13 | N12 | C11 | C10 | 55.8° | 180.0° |
| C13 | N12 | C11 | H121 | 120.7° | 123.9° |
| N12 | C13 | H131 | H132 | 118.2° | 120.0° |
| C13 | N12 | C11 | H112 | 64.5° | 60.0° |
| C13 | N12 | C11 | H111 | 176.1° | 60.0° |
| N12 | C13 | C14 | H141 | 68.5° | 55.1° |
| C11 | C10 | C06 | C07 | 179.4° | 180.0° |
| C10 | C11 | N12 | H112 | 120.3° | 120.0° |
| C10 | C11 | N12 | H111 | 120.3° | 120.0° |
| C11 | C10 | C06 | N05 | 0.7° | 0.1° |
| C10 | C11 | N12 | H121 | 65.0° | 56.1° |
| C11 | C10 | C09 | H091 | 0.6° | 0.2° |
| C10 | C11 | H112 | H111 | 119.1° | 120.0° |
| C10 | C06 | C07 | N05 | 180.0° | 179.9° |
| C10 | C06 | C07 | C02 | 179.7° | 180.0° |
| C06 | C10 | C11 | N12 | 89.1° | 80.0° |
| C10 | C06 | N05 | C04 | 179.9° | 179.9° |
| C06 | C10 | C09 | H091 | 179.8° | 180.0° |
| C06 | C10 | C11 | H112 | 150.6° | 160.0° |
| C06 | C10 | C11 | H111 | 31.2° | 40.0° |
| C06 | C07 | C02 | O01 | 179.8° | 180.0° |
| C06 | C07 | C02 | N03 | 0.1° | 0.1° |
| C07 | C06 | N05 | C04 | 0.1° | 0.1° |
| C06 | C07 | N08 | H081 | 179.8° | 179.8° |
| C07 | C02 | O01 | N03 | 179.7° | 179.9° |
| C02 | C07 | C06 | N05 | 0.3° | 0.1° |
| C07 | C02 | N03 | C04 | 0.3° | 0.1° |
| C07 | C02 | N03 | H031 | 179.7° | 179.9° |
| C02 | C07 | N08 | H081 | 0.5° | 0.2° |
| C11 | N12 | C13 | H131 | 67.4° | 60.0° |
| C11 | N12 | C13 | H132 | 173.7° | 60.0° |
| N12 | C11 | H112 | H111 | 119.1° | 120.0° |
| O01 | C02 | N03 | C04 | 179.4° | 180.0° |
| O01 | C02 | N03 | H031 | 0.6° | 0.1° |
| C06 | N05 | C04 | N03 | 0.3° | 0.1° |
| C06 | N05 | C04 | H041 | 179.7° | 179.9° |
| C02 | N03 | C04 | N05 | 0.5° | 0.1° |
| C02 | N03 | C04 | H031 | 180.0° | 179.8° |
| C02 | N03 | C04 | H041 | 179.5° | 179.9° |
| N05 | C04 | N03 | H041 | 180.0° | 180.0° |
| N05 | C04 | N03 | H031 | 179.5° | 179.9° |
| H121 | N12 | C13 | H131 | 53.3° | 63.9° |
| H121 | N12 | C13 | H132 | 65.6° | 176.1° |
| H121 | N12 | C11 | H112 | 174.8° | 64.0° |
| H121 | N12 | C11 | H111 | 55.3° | 176.0° |
| H131 | C13 | C14 | H141 | 52.1° | 175.0° |
| H132 | C13 | C14 | H141 | 170.9° | 65.0° |
| H152 | C15 | C14 | H141 | 78.8° | 175.0° |
| H151 | C15 | C14 | H141 | 162.6° | 65.1° |
| H041 | C04 | N03 | H031 | 0.5° | 0.1° |
| H091 | C09 | N08 | H081 | 0.2° | 0.4° |
| H141 | C14 | O20 | H201 | 62.8° | 179.9° |
