A1EOD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | P17 | doub | 1.48Å | 1.51Å | |
| O12 | C11 | sing | 1.43Å | 1.48Å | |
| P17 | O16 | sing | 1.61Å | 1.64Å | |
| P17 | O19 | sing | 1.61Å | 1.51Å | |
| P17 | O20 | sing | 1.61Å | 1.65Å | |
| O16 | C15 | sing | 1.43Å | 1.40Å | |
| C11 | C10 | sing | 1.55Å | 1.57Å | |
| C11 | C13 | sing | 1.54Å | 1.30Å | |
| O22 | P21 | doub | 1.48Å | 1.51Å | |
| C10 | C09 | sing | 1.54Å | 1.59Å | |
| C13 | C15 | sing | 1.53Å | 1.48Å | |
| C13 | O14 | sing | 1.44Å | 1.68Å | |
| O20 | P21 | sing | 1.61Å | 1.64Å | |
| O27 | P25 | doub | 1.48Å | 1.51Å | |
| P21 | O23 | sing | 1.61Å | 1.51Å | |
| P21 | O24 | sing | 1.61Å | 1.64Å | |
| C09 | O14 | sing | 1.44Å | 1.29Å | |
| C09 | N08 | sing | 1.46Å | 1.46Å | |
| O28 | P25 | sing | 1.61Å | 1.51Å | |
| P25 | O24 | sing | 1.61Å | 1.65Å | |
| P25 | O26 | sing | 1.61Å | 1.51Å | |
| N08 | C07 | sing | 1.36Å | 1.46Å | |
| N08 | C02 | sing | 1.35Å | 1.49Å | |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C07 | C06 | doub | 1.35Å | 1.49Å | |
| C02 | N03 | sing | 1.33Å | 1.48Å | |
| O30 | C29 | sing | 1.43Å | 1.41Å | |
| C06 | C29 | sing | 1.51Å | 1.53Å | |
| C06 | C04 | sing | 1.41Å | 1.49Å | |
| N03 | C04 | doub | 1.33Å | 1.45Å | |
| C04 | N05 | sing | 1.38Å | 1.45Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N05 | H052 | sing | 0.97Å | 1.00Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O19 | H1 | sing | 0.97Å | 0.95Å | |
| O23 | H2 | sing | 0.97Å | 0.95Å | |
| O26 | H3 | sing | 0.97Å | 0.95Å | |
| O28 | H4 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | P17 | O16 | 110.1° | 109.5° |
| O18 | P17 | O19 | 109.5° | 109.5° |
| O18 | P17 | O20 | 110.1° | 109.4° |
| O12 | C11 | C10 | 111.1° | 110.5° |
| O12 | C11 | C13 | 109.3° | 110.5° |
| O12 | C11 | H111 | 109.7° | 110.6° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| O16 | P17 | O19 | 109.4° | 109.5° |
| O16 | P17 | O20 | 108.0° | 109.5° |
| P17 | O16 | C15 | 117.2° | 123.0° |
| O19 | P17 | O20 | 109.8° | 109.5° |
| P17 | O19 | H1 | 109.5° | 114.0° |
| P17 | O20 | P21 | 124.4° | 134.0° |
| O16 | C15 | C13 | 108.2° | 109.5° |
| O16 | C15 | H151 | 109.8° | 109.5° |
| O16 | C15 | H152 | 109.8° | 109.5° |
| C10 | C11 | C13 | 105.6° | 104.1° |
| C11 | C10 | C09 | 105.7° | 104.1° |
| C11 | C10 | H102 | 110.4° | 110.5° |
| C11 | C10 | H101 | 110.4° | 110.6° |
| C10 | C11 | H111 | 108.5° | 110.5° |
| C11 | C13 | C15 | 110.0° | 110.4° |
| C11 | C13 | O14 | 106.2° | 104.8° |
| C11 | C13 | H131 | 112.8° | 110.5° |
| C13 | C11 | H111 | 112.6° | 110.5° |
| O22 | P21 | O20 | 109.4° | 109.4° |
| O22 | P21 | O23 | 109.7° | 109.5° |
| O22 | P21 | O24 | 109.3° | 109.5° |
| C10 | C09 | O14 | 105.0° | 104.8° |
| C10 | C09 | N08 | 112.7° | 110.4° |
| C09 | C10 | H102 | 110.4° | 110.5° |
| C09 | C10 | H101 | 110.4° | 110.5° |
| C10 | C09 | H091 | 108.0° | 110.4° |
| C15 | C13 | O14 | 110.4° | 110.4° |
| C15 | C13 | H131 | 109.9° | 110.3° |
| C13 | C15 | H151 | 109.8° | 109.4° |
| C13 | C15 | H152 | 109.8° | 109.4° |
| C13 | O14 | C09 | 105.5° | 105.3° |
| O14 | C13 | H131 | 107.4° | 110.4° |
| O20 | P21 | O23 | 110.0° | 109.5° |
| O20 | P21 | O24 | 108.6° | 109.5° |
| O27 | P25 | O28 | 109.5° | 109.4° |
| O27 | P25 | O24 | 109.5° | 109.5° |
| O27 | P25 | O26 | 109.6° | 109.4° |
| O23 | P21 | O24 | 109.7° | 109.5° |
| P21 | O23 | H2 | 109.5° | 113.9° |
| P21 | O24 | P25 | 123.1° | 134.0° |
| O14 | C09 | N08 | 108.9° | 110.3° |
| O14 | C09 | H091 | 112.5° | 110.3° |
| C09 | N08 | C07 | 119.7° | 119.8° |
| C09 | N08 | C02 | 120.8° | 119.9° |
| N08 | C09 | H091 | 109.7° | 110.5° |
| O28 | P25 | O24 | 109.1° | 109.5° |
| O28 | P25 | O26 | 109.6° | 109.5° |
| P25 | O28 | H4 | 109.5° | 114.1° |
| O24 | P25 | O26 | 109.6° | 109.5° |
| P25 | O26 | H3 | 109.5° | 114.0° |
| C07 | N08 | C02 | 119.5° | 120.3° |
| N08 | C07 | C06 | 120.4° | 119.3° |
| N08 | C07 | H071 | 119.8° | 120.4° |
| N08 | C02 | O01 | 120.1° | 119.4° |
| N08 | C02 | N03 | 120.1° | 121.1° |
| O01 | C02 | N03 | 119.8° | 119.5° |
| C07 | C06 | C29 | 120.2° | 120.6° |
| C07 | C06 | C04 | 119.5° | 118.9° |
| C06 | C07 | H071 | 119.8° | 120.3° |
| C02 | N03 | C04 | 120.4° | 120.7° |
| O30 | C29 | C06 | 108.0° | 109.4° |
| O30 | C29 | H291 | 109.8° | 109.4° |
| O30 | C29 | H292 | 109.8° | 109.5° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| C29 | C06 | C04 | 120.3° | 120.5° |
| C06 | C29 | H291 | 109.9° | 109.5° |
| C06 | C29 | H292 | 109.9° | 109.5° |
| C06 | C04 | N03 | 120.2° | 119.6° |
| C06 | C04 | N05 | 120.0° | 120.2° |
| N03 | C04 | N05 | 119.8° | 120.2° |
| C04 | N05 | H051 | 120.0° | 120.0° |
| C04 | N05 | H052 | 120.0° | 120.0° |
| H102 | C10 | H101 | 109.5° | 110.4° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H051 | N05 | H052 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | P17 | O16 | O19 | 120.4° | 120.1° |
| O18 | P17 | O16 | O20 | 120.2° | 119.9° |
| O18 | P17 | O19 | O20 | 121.0° | 120.0° |
| O18 | P17 | O16 | C15 | 175.9° | 55.1° |
| O18 | P17 | O20 | P21 | 69.0° | 40.1° |
| O18 | P17 | O19 | H1 | 0.0° | 180.0° |
| O12 | C11 | C10 | C13 | 118.4° | 118.6° |
| O12 | C11 | C10 | H111 | 120.7° | 122.7° |
| O12 | C11 | C13 | H111 | 122.1° | 122.7° |
| O12 | C11 | C10 | C09 | 126.7° | 118.6° |
| O12 | C11 | C13 | C15 | 96.8° | 98.6° |
| O12 | C11 | C13 | O14 | 143.7° | 142.6° |
| O12 | C11 | C10 | H102 | 113.9° | 0.0° |
| O12 | C11 | C10 | H101 | 7.3° | 122.6° |
| O12 | C11 | C13 | H131 | 26.3° | 23.7° |
| O16 | P17 | O19 | O20 | 118.3° | 120.0° |
| P17 | O16 | C15 | C13 | 124.8° | 180.0° |
| O16 | P17 | O20 | P21 | 170.8° | 160.0° |
| P17 | O16 | C15 | H151 | 5.0° | 60.0° |
| P17 | O16 | C15 | H152 | 115.4° | 60.0° |
| O16 | P17 | O19 | H1 | 120.7° | 60.0° |
| O19 | P17 | O16 | C15 | 55.6° | 65.0° |
| O19 | P17 | O20 | P21 | 51.6° | 79.9° |
| O20 | P17 | O16 | C15 | 63.8° | 175.0° |
| P17 | O20 | P21 | O22 | 60.0° | 45.1° |
| P17 | O20 | P21 | O23 | 60.6° | 74.9° |
| P17 | O20 | P21 | O24 | 179.3° | 165.0° |
| O20 | P17 | O19 | H1 | 121.0° | 60.0° |
| O16 | C15 | C13 | C11 | 62.1° | 178.2° |
| O16 | C15 | C13 | H151 | 119.8° | 120.1° |
| O16 | C15 | C13 | H152 | 119.8° | 120.0° |
| O16 | C15 | C13 | O14 | 178.9° | 66.4° |
| O16 | C15 | C13 | H131 | 62.8° | 55.8° |
| O16 | C15 | H151 | H152 | 120.6° | 120.1° |
| C10 | C11 | C13 | H111 | 118.2° | 118.7° |
| C11 | C10 | C09 | H102 | 119.4° | 118.6° |
| C11 | C10 | C09 | H101 | 119.4° | 118.8° |
| C10 | C11 | C13 | C15 | 143.6° | 142.8° |
| C10 | C11 | C13 | O14 | 24.1° | 24.0° |
| C11 | C10 | C09 | O14 | 16.3° | 24.0° |
| C11 | C10 | C09 | N08 | 134.7° | 142.8° |
| C11 | C10 | H102 | H101 | 121.7° | 122.7° |
| C10 | C11 | C13 | H131 | 93.3° | 94.9° |
| C11 | C10 | C09 | H091 | 104.0° | 94.8° |
| C10 | C11 | O12 | H121 | 180.0° | 61.5° |
| C13 | C11 | C10 | C09 | 8.3° | 0.0° |
| C11 | C13 | C15 | O14 | 116.9° | 115.4° |
| C11 | C13 | C15 | H131 | 124.8° | 122.4° |
| C11 | C13 | O14 | H131 | 121.0° | 119.0° |
| C11 | C13 | O14 | C09 | 37.3° | 40.5° |
| C13 | C11 | C10 | H102 | 127.7° | 118.6° |
| C13 | C11 | C10 | H101 | 111.1° | 118.7° |
| C11 | C13 | C15 | H151 | 178.1° | 58.1° |
| C11 | C13 | C15 | H152 | 57.8° | 61.8° |
| C13 | C11 | O12 | H121 | 63.9° | 176.1° |
| O22 | P21 | O20 | O23 | 120.6° | 120.0° |
| O22 | P21 | O20 | O24 | 119.3° | 120.0° |
| O22 | P21 | O23 | O24 | 120.1° | 120.0° |
| O22 | P21 | O24 | P25 | 13.8° | 40.0° |
| O22 | P21 | O23 | H2 | 0.0° | 180.0° |
| C10 | C09 | O14 | C13 | 29.0° | 40.5° |
| C10 | C09 | O14 | N08 | 121.0° | 118.8° |
| C10 | C09 | O14 | H091 | 117.3° | 118.8° |
| C10 | C09 | N08 | H091 | 120.4° | 122.4° |
| C10 | C09 | N08 | C07 | 122.1° | 115.0° |
| C10 | C09 | N08 | C02 | 58.7° | 64.9° |
| C09 | C10 | H102 | H101 | 121.7° | 122.6° |
| C09 | C10 | C11 | H111 | 112.6° | 118.7° |
| C15 | C13 | O14 | H131 | 119.8° | 122.2° |
| C15 | C13 | O14 | C09 | 156.5° | 159.4° |
| C13 | C15 | H151 | H152 | 120.6° | 119.9° |
| C15 | C13 | C11 | H111 | 25.3° | 24.1° |
| C13 | O14 | C09 | N08 | 150.0° | 159.3° |
| O14 | C13 | C15 | H151 | 61.2° | 173.5° |
| O14 | C13 | C15 | H152 | 59.1° | 53.6° |
| C13 | O14 | C09 | H091 | 88.2° | 78.3° |
| O14 | C13 | C11 | H111 | 94.1° | 94.7° |
| O20 | P21 | O23 | O24 | 119.4° | 120.0° |
| O20 | P21 | O24 | P25 | 105.5° | 160.0° |
| O20 | P21 | O23 | H2 | 120.4° | 60.0° |
| O27 | P25 | O24 | P21 | 52.4° | 45.0° |
| O27 | P25 | O28 | O24 | 119.8° | 120.0° |
| O27 | P25 | O28 | O26 | 120.2° | 119.9° |
| O27 | P25 | O24 | O26 | 120.2° | 120.0° |
| O27 | P25 | O26 | H3 | 0.0° | 180.0° |
| O27 | P25 | O28 | H4 | 0.0° | 60.0° |
| O23 | P21 | O24 | P25 | 134.2° | 80.0° |
| P21 | O24 | P25 | O28 | 67.4° | 165.0° |
| P21 | O24 | P25 | O26 | 172.6° | 75.0° |
| O24 | P21 | O23 | H2 | 120.1° | 60.0° |
| O14 | C09 | N08 | H091 | 123.5° | 122.3° |
| O14 | C09 | N08 | C07 | 121.8° | 129.6° |
| O14 | C09 | N08 | C02 | 57.4° | 50.4° |
| O14 | C09 | C10 | H102 | 103.1° | 142.6° |
| O14 | C09 | C10 | H101 | 135.7° | 94.8° |
| C09 | O14 | C13 | H131 | 83.7° | 78.4° |
| C09 | N08 | C07 | C02 | 179.2° | 180.0° |
| C09 | N08 | C02 | O01 | 0.5° | 0.3° |
| C09 | N08 | C07 | C06 | 179.9° | 180.0° |
| C09 | N08 | C02 | N03 | 179.9° | 180.0° |
| N08 | C09 | C10 | H102 | 15.3° | 98.6° |
| N08 | C09 | C10 | H101 | 105.9° | 23.9° |
| C09 | N08 | C07 | H071 | 0.1° | 0.1° |
| O28 | P25 | O24 | O26 | 120.0° | 120.0° |
| O28 | P25 | O26 | H3 | 120.2° | 60.1° |
| O24 | P25 | O26 | H3 | 120.2° | 60.0° |
| O24 | P25 | O28 | H4 | 119.8° | 180.0° |
| O26 | P25 | O28 | H4 | 120.2° | 60.0° |
| C07 | N08 | C02 | O01 | 179.7° | 179.7° |
| N08 | C07 | C06 | H071 | 180.0° | 179.9° |
| C07 | N08 | C02 | N03 | 0.7° | 0.0° |
| N08 | C07 | C06 | C29 | 179.4° | 180.0° |
| N08 | C07 | C06 | C04 | 0.2° | 0.0° |
| C07 | N08 | C09 | H091 | 1.7° | 7.3° |
| N08 | C02 | O01 | N03 | 179.6° | 179.7° |
| C02 | N08 | C07 | C06 | 0.7° | 0.0° |
| N08 | C02 | N03 | C04 | 0.3° | 0.0° |
| C02 | N08 | C07 | H071 | 179.4° | 180.0° |
| C02 | N08 | C09 | H091 | 179.1° | 172.7° |
| O01 | C02 | N03 | C04 | 179.9° | 179.7° |
| C07 | C06 | C29 | O30 | 90.5° | 0.0° |
| C07 | C06 | C29 | C04 | 179.6° | 180.0° |
| C07 | C06 | C04 | N03 | 0.2° | 0.0° |
| C07 | C06 | C04 | N05 | 179.8° | 180.0° |
| C07 | C06 | C29 | H291 | 149.8° | 119.9° |
| C07 | C06 | C29 | H292 | 29.3° | 120.0° |
| C02 | N03 | C04 | C06 | 0.2° | 0.0° |
| C02 | N03 | C04 | N05 | 179.8° | 180.0° |
| O30 | C29 | C06 | H291 | 119.8° | 119.9° |
| O30 | C29 | C06 | H292 | 119.8° | 120.0° |
| O30 | C29 | C06 | C04 | 89.1° | 180.0° |
| O30 | C29 | H291 | H292 | 120.6° | 120.0° |
| C29 | C06 | C04 | N03 | 179.8° | 180.0° |
| C29 | C06 | C04 | N05 | 0.6° | 0.0° |
| C29 | C06 | C07 | H071 | 0.6° | 0.0° |
| C06 | C29 | H291 | H292 | 120.7° | 120.1° |
| C06 | C29 | O30 | H301 | 180.0° | 179.9° |
| C06 | C04 | N03 | N05 | 179.6° | 180.0° |
| C04 | C06 | C07 | H071 | 179.8° | 180.0° |
| C04 | C06 | C29 | H291 | 30.7° | 60.0° |
| C04 | C06 | C29 | H292 | 151.2° | 60.1° |
| C06 | C04 | N05 | H051 | 179.6° | 0.1° |
| C06 | C04 | N05 | H052 | 0.4° | 180.0° |
| N03 | C04 | N05 | H051 | 0.0° | 179.9° |
| N03 | C04 | N05 | H052 | 180.0° | 0.0° |
| C04 | N05 | H051 | H052 | 179.9° | 179.9° |
| H102 | C10 | C09 | H091 | 136.6° | 23.8° |
| H102 | C10 | C11 | H111 | 6.8° | 122.7° |
| H101 | C10 | C09 | H091 | 15.4° | 146.4° |
| H101 | C10 | C11 | H111 | 128.0° | 0.1° |
| H131 | C13 | C15 | H151 | 57.0° | 64.3° |
| H131 | C13 | C15 | H152 | 177.4° | 175.8° |
| H131 | C13 | C11 | H111 | 148.4° | 146.4° |
| H111 | C11 | O12 | H121 | 60.0° | 61.2° |
| H291 | C29 | O30 | H301 | 60.2° | 60.1° |
| H292 | C29 | O30 | H301 | 60.2° | 60.0° |
