AXP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | C2 | sing | 1.82Å | 1.81Å | |
| P1 | O1P | doub | 1.48Å | 1.44Å | |
| P1 | O2P | sing | 1.61Å | 1.51Å | |
| P1 | O3P | sing | 1.61Å | 1.59Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O6 | sing | 1.43Å | 1.41Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N5 | sing | 1.46Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | O6 | sing | 1.43Å | 1.45Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | O7 | sing | 1.43Å | 1.41Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | O8 | sing | 1.43Å | 1.42Å | |
| C8 | H8 | sing | 1.09Å | 1.12Å | |
| C9 | O9 | sing | 1.43Å | 1.41Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N5 | sing | 1.35Å | 1.33Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | P1 | O1P | 114.3° | 109.5° |
| C2 | P1 | O2P | 109.7° | 109.5° |
| C2 | P1 | O3P | 99.6° | 109.5° |
| P1 | C2 | C3 | 122.0° | 109.5° |
| P1 | C2 | O6 | 112.3° | 109.4° |
| P1 | C2 | H2 | 99.1° | 109.4° |
| O1P | P1 | O2P | 117.1° | 109.4° |
| O1P | P1 | O3P | 99.4° | 109.5° |
| O2P | P1 | O3P | 115.2° | 109.5° |
| P1 | O2P | HOP2 | 109.8° | 106.7° |
| P1 | O3P | HOP3 | 99.6° | 106.8° |
| C3 | C2 | O6 | 115.1° | 109.8° |
| C3 | C2 | H2 | 94.6° | 109.4° |
| C2 | C3 | C4 | 114.7° | 109.0° |
| C2 | C3 | H32 | 110.3° | 109.5° |
| C2 | C3 | H31 | 110.3° | 109.5° |
| O6 | C2 | H2 | 109.9° | 109.4° |
| C2 | O6 | C6 | 122.6° | 107.7° |
| C4 | C3 | H32 | 110.3° | 109.6° |
| C4 | C3 | H31 | 110.3° | 109.6° |
| C3 | C4 | C5 | 110.7° | 108.7° |
| C3 | C4 | O4 | 110.9° | 109.8° |
| C3 | C4 | H4 | 107.4° | 109.6° |
| H32 | C3 | H31 | 99.9° | 109.6° |
| C5 | C4 | O4 | 108.7° | 109.6° |
| C5 | C4 | H4 | 109.7° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.1° |
| C4 | C5 | N5 | 106.6° | 109.6° |
| C4 | C5 | H5 | 111.9° | 109.6° |
| O4 | C4 | H4 | 109.5° | 109.6° |
| C4 | O4 | HO4 | 110.9° | 106.8° |
| C6 | C5 | N5 | 110.8° | 109.5° |
| C6 | C5 | H5 | 107.8° | 109.5° |
| C5 | C6 | C7 | 116.3° | 109.4° |
| C5 | C6 | O6 | 109.8° | 109.7° |
| C5 | C6 | H6 | 103.5° | 109.6° |
| N5 | C5 | H5 | 110.5° | 109.6° |
| C5 | N5 | C10 | 122.8° | 120.0° |
| C5 | N5 | HN5 | 122.4° | 120.0° |
| C7 | C6 | O6 | 106.3° | 109.4° |
| C7 | C6 | H6 | 107.1° | 109.4° |
| C6 | C7 | C8 | 109.8° | 109.5° |
| C6 | C7 | O7 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| O6 | C6 | H6 | 114.0° | 109.4° |
| C8 | C7 | O7 | 110.3° | 109.5° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C7 | C8 | C9 | 110.2° | 109.5° |
| C7 | C8 | O8 | 109.7° | 109.5° |
| C7 | C8 | H8 | 108.8° | 109.5° |
| O7 | C7 | H7 | 109.0° | 109.4° |
| C7 | O7 | HO7 | 109.5° | 106.8° |
| C9 | C8 | O8 | 109.6° | 109.4° |
| C9 | C8 | H8 | 109.1° | 109.4° |
| C8 | C9 | O9 | 108.7° | 109.5° |
| C8 | C9 | H92 | 112.5° | 109.5° |
| C8 | C9 | H91 | 112.4° | 109.5° |
| O8 | C8 | H8 | 109.5° | 109.5° |
| C8 | O8 | HO8 | 109.8° | 106.8° |
| O9 | C9 | H92 | 112.5° | 109.4° |
| O9 | C9 | H91 | 112.5° | 109.5° |
| C9 | O9 | HO9 | 108.7° | 106.8° |
| H92 | C9 | H91 | 98.0° | 109.5° |
| C11 | C10 | N5 | 115.9° | 120.0° |
| C11 | C10 | O10 | 121.3° | 120.0° |
| C10 | C11 | H111 | 115.9° | 109.5° |
| C10 | C11 | H113 | 109.9° | 109.5° |
| C10 | C11 | H112 | 109.9° | 109.5° |
| N5 | C10 | O10 | 122.8° | 120.0° |
| C10 | N5 | HN5 | 114.8° | 120.0° |
| H111 | C11 | H113 | 109.9° | 109.5° |
| H111 | C11 | H112 | 109.9° | 109.5° |
| H113 | C11 | H112 | 100.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | P1 | O1P | O2P | 130.3° | 120.0° |
| C2 | P1 | O1P | O3P | 105.1° | 120.0° |
| C2 | P1 | O2P | O3P | 111.3° | 120.1° |
| P1 | C2 | C3 | O6 | 141.8° | 120.1° |
| P1 | C2 | C3 | H2 | 103.7° | 119.9° |
| P1 | C2 | O6 | H2 | 109.3° | 119.8° |
| P1 | C2 | C3 | C4 | 174.2° | 178.7° |
| P1 | C2 | C3 | H32 | 60.4° | 61.4° |
| P1 | C2 | C3 | H31 | 49.0° | 58.8° |
| P1 | C2 | O6 | C6 | 179.0° | 172.3° |
| C2 | P1 | O2P | HOP2 | 180.0° | 60.0° |
| C2 | P1 | O3P | HOP3 | 179.9° | 180.0° |
| O1P | P1 | O2P | O3P | 116.2° | 120.0° |
| O1P | P1 | C2 | C3 | 129.4° | 60.0° |
| O1P | P1 | C2 | O6 | 13.3° | 179.7° |
| O1P | P1 | C2 | H2 | 129.3° | 59.9° |
| O1P | P1 | O2P | HOP2 | 47.6° | 180.0° |
| O1P | P1 | O3P | HOP3 | 63.2° | 60.0° |
| O2P | P1 | C2 | C3 | 4.4° | 60.0° |
| O2P | P1 | C2 | O6 | 147.1° | 60.3° |
| O2P | P1 | C2 | H2 | 96.9° | 179.8° |
| O2P | P1 | O3P | HOP3 | 62.7° | 59.9° |
| O3P | P1 | C2 | C3 | 125.6° | 180.0° |
| O3P | P1 | C2 | O6 | 91.6° | 59.7° |
| O3P | P1 | C2 | H2 | 24.4° | 60.1° |
| O3P | P1 | O2P | HOP2 | 68.6° | 60.1° |
| C3 | C2 | O6 | H2 | 105.3° | 120.0° |
| C2 | C3 | C4 | H32 | 125.3° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 119.9° |
| C2 | C3 | H32 | H31 | 116.1° | 120.2° |
| C2 | C3 | C4 | C5 | 11.9° | 53.7° |
| C2 | C3 | C4 | O4 | 132.6° | 66.1° |
| C2 | C3 | C4 | H4 | 107.8° | 173.4° |
| C3 | C2 | O6 | C6 | 33.5° | 67.5° |
| O6 | C2 | C3 | C4 | 32.5° | 61.2° |
| O6 | C2 | C3 | H32 | 157.8° | 58.7° |
| O6 | C2 | C3 | H31 | 92.8° | 178.9° |
| C2 | O6 | C6 | C5 | 12.4° | 67.5° |
| C2 | O6 | C6 | C7 | 139.1° | 52.5° |
| C2 | O6 | C6 | H6 | 103.1° | 172.2° |
| H2 | C2 | C3 | C4 | 82.1° | 58.8° |
| H2 | C2 | C3 | H32 | 43.2° | 178.7° |
| H2 | C2 | C3 | H31 | 152.6° | 61.1° |
| H2 | C2 | O6 | C6 | 71.8° | 52.5° |
| C4 | C3 | H32 | H31 | 116.1° | 120.2° |
| C3 | C4 | C5 | O4 | 122.0° | 120.0° |
| C3 | C4 | C5 | H4 | 118.3° | 119.7° |
| C3 | C4 | O4 | H4 | 118.3° | 120.4° |
| C3 | C4 | C5 | C6 | 56.9° | 53.8° |
| C3 | C4 | C5 | N5 | 176.7° | 66.1° |
| C3 | C4 | C5 | H5 | 62.4° | 173.6° |
| C3 | C4 | O4 | HO4 | 180.0° | 60.7° |
| H32 | C3 | C4 | C5 | 113.4° | 66.1° |
| H32 | C3 | C4 | O4 | 7.3° | 174.0° |
| H32 | C3 | C4 | H4 | 126.9° | 53.6° |
| H31 | C3 | C4 | C5 | 137.2° | 173.6° |
| H31 | C3 | C4 | O4 | 102.1° | 53.7° |
| H31 | C3 | C4 | H4 | 17.5° | 66.7° |
| C5 | C4 | O4 | H4 | 119.8° | 120.3° |
| C4 | C5 | C6 | N5 | 117.2° | 119.9° |
| C4 | C5 | C6 | H5 | 121.8° | 119.9° |
| C4 | C5 | N5 | H5 | 121.7° | 120.3° |
| C4 | C5 | C6 | C7 | 178.8° | 58.8° |
| C4 | C5 | C6 | O6 | 58.0° | 61.2° |
| C4 | C5 | C6 | H6 | 64.0° | 178.7° |
| C4 | C5 | N5 | C10 | 154.4° | 90.2° |
| C4 | C5 | N5 | HN5 | 25.6° | 89.8° |
| C5 | C4 | O4 | HO4 | 58.1° | 179.9° |
| O4 | C4 | C5 | C6 | 178.9° | 66.2° |
| O4 | C4 | C5 | N5 | 61.3° | 173.9° |
| O4 | C4 | C5 | H5 | 59.6° | 53.7° |
| H4 | C4 | C5 | C6 | 61.4° | 173.5° |
| H4 | C4 | C5 | N5 | 58.4° | 53.6° |
| H4 | C4 | C5 | H5 | 179.3° | 66.7° |
| H4 | C4 | O4 | HO4 | 61.7° | 59.7° |
| C6 | C5 | N5 | H5 | 119.4° | 120.1° |
| C5 | C6 | C7 | O6 | 122.6° | 120.2° |
| C5 | C6 | C7 | H6 | 115.1° | 120.0° |
| C5 | C6 | O6 | H6 | 115.6° | 120.3° |
| C5 | C6 | C7 | C8 | 169.7° | 67.3° |
| C5 | C6 | C7 | O7 | 48.4° | 172.7° |
| C5 | C6 | C7 | H7 | 71.1° | 52.7° |
| C6 | C5 | N5 | C10 | 86.7° | 150.2° |
| C6 | C5 | N5 | HN5 | 93.2° | 29.8° |
| N5 | C5 | C6 | C7 | 64.0° | 178.7° |
| N5 | C5 | C6 | O6 | 175.2° | 58.7° |
| N5 | C5 | C6 | H6 | 53.1° | 61.4° |
| C5 | N5 | C10 | C11 | 180.0° | 180.0° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| C5 | N5 | C10 | O10 | 0.4° | 0.1° |
| H5 | C5 | C6 | C7 | 57.0° | 61.1° |
| H5 | C5 | C6 | O6 | 63.8° | 178.9° |
| H5 | C5 | C6 | H6 | 174.1° | 58.7° |
| H5 | C5 | N5 | C10 | 32.7° | 30.1° |
| H5 | C5 | N5 | HN5 | 147.4° | 149.9° |
| C7 | C6 | O6 | H6 | 117.8° | 119.8° |
| C6 | C7 | C8 | O7 | 120.7° | 120.0° |
| C6 | C7 | C8 | H7 | 119.8° | 120.0° |
| C6 | C7 | O7 | H7 | 119.8° | 120.0° |
| C6 | C7 | C8 | C9 | 177.9° | 173.4° |
| C6 | C7 | C8 | O8 | 57.2° | 66.6° |
| C6 | C7 | C8 | H8 | 62.6° | 53.5° |
| C6 | C7 | O7 | HO7 | 180.0° | 55.0° |
| O6 | C6 | C7 | C8 | 47.1° | 172.6° |
| O6 | C6 | C7 | O7 | 74.2° | 52.6° |
| O6 | C6 | C7 | H7 | 166.3° | 67.4° |
| H6 | C6 | C7 | C8 | 75.2° | 52.8° |
| H6 | C6 | C7 | O7 | 163.5° | 67.2° |
| H6 | C6 | C7 | H7 | 44.0° | 172.7° |
| C8 | C7 | O7 | H7 | 119.3° | 120.0° |
| C7 | C8 | C9 | O8 | 120.8° | 120.1° |
| C7 | C8 | C9 | H8 | 119.4° | 120.0° |
| C7 | C8 | O8 | H8 | 119.4° | 120.1° |
| C7 | C8 | C9 | O9 | 67.9° | 179.9° |
| C7 | C8 | C9 | H92 | 166.9° | 60.0° |
| C7 | C8 | C9 | H91 | 57.4° | 60.0° |
| C8 | C7 | O7 | HO7 | 59.1° | 65.0° |
| C7 | C8 | O8 | HO8 | 180.0° | 69.2° |
| O7 | C7 | C8 | C9 | 61.3° | 53.4° |
| O7 | C7 | C8 | O8 | 177.9° | 173.4° |
| O7 | C7 | C8 | H8 | 58.2° | 66.5° |
| H7 | C7 | C8 | C9 | 58.1° | 66.6° |
| H7 | C7 | C8 | O8 | 62.6° | 53.5° |
| H7 | C7 | C8 | H8 | 177.7° | 173.5° |
| H7 | C7 | O7 | HO7 | 60.2° | 175.1° |
| C9 | C8 | O8 | H8 | 119.5° | 119.9° |
| C8 | C9 | O9 | H92 | 125.2° | 120.0° |
| C8 | C9 | O9 | H91 | 125.2° | 120.0° |
| C8 | C9 | H92 | H91 | 118.4° | 120.0° |
| C9 | C8 | O8 | HO8 | 58.9° | 50.8° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| O8 | C8 | C9 | O9 | 52.9° | 60.0° |
| O8 | C8 | C9 | H92 | 72.3° | 180.0° |
| O8 | C8 | C9 | H91 | 178.2° | 60.1° |
| H8 | C8 | C9 | O9 | 172.7° | 59.9° |
| H8 | C8 | C9 | H92 | 47.5° | 60.0° |
| H8 | C8 | C9 | H91 | 62.0° | 180.0° |
| H8 | C8 | O8 | HO8 | 60.6° | 170.8° |
| O9 | C9 | H92 | H91 | 118.5° | 120.0° |
| H92 | C9 | O9 | HO9 | 54.8° | 60.0° |
| H91 | C9 | O9 | HO9 | 54.8° | 60.0° |
| C11 | C10 | N5 | O10 | 179.5° | 179.9° |
| C10 | C11 | H111 | H113 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H113 | H112 | 115.6° | 120.0° |
| C11 | C10 | N5 | HN5 | 0.0° | 0.1° |
| N5 | C10 | C11 | H111 | 180.0° | 180.0° |
| N5 | C10 | C11 | H113 | 54.7° | 60.0° |
| N5 | C10 | C11 | H112 | 54.7° | 60.0° |
| O10 | C10 | C11 | H111 | 0.5° | 0.0° |
| O10 | C10 | C11 | H113 | 125.7° | 120.1° |
| O10 | C10 | C11 | H112 | 124.8° | 120.0° |
| O10 | C10 | N5 | HN5 | 179.5° | 179.9° |
| H111 | C11 | H113 | H112 | 115.7° | 120.0° |
