381
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| O2 | P | doub | 1.48Å | 1.61Å | |
| C3 | P | sing | 1.82Å | 1.83Å | |
| P | O1 | sing | 1.61Å | 1.47Å | |
| P | C4 | sing | 1.82Å | 1.83Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| N | H8 | sing | 1.01Å | 1.00Å | |
| N | H9 | sing | 1.01Å | 1.00Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C1 | C2 | 110.7° | 109.5° |
| N | C1 | H6 | 109.2° | 109.4° |
| N | C1 | H7 | 109.1° | 109.4° |
| C1 | N | H8 | 109.5° | 111.0° |
| C1 | N | H9 | 109.5° | 111.0° |
| C1 | C2 | C3 | 111.1° | 109.4° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.4° |
| C2 | C1 | H6 | 109.2° | 109.5° |
| C2 | C1 | H7 | 109.2° | 109.5° |
| C2 | C3 | P | 112.3° | 109.5° |
| C2 | C3 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| C3 | C2 | H4 | 109.0° | 109.5° |
| C3 | C2 | H5 | 109.1° | 109.5° |
| O2 | P | C3 | 111.1° | 109.4° |
| O2 | P | O1 | 109.2° | 109.5° |
| O2 | P | C4 | 107.5° | 109.5° |
| C3 | P | O1 | 108.0° | 109.5° |
| C3 | P | C4 | 110.6° | 109.5° |
| P | C3 | H2 | 108.7° | 109.4° |
| P | C3 | H3 | 108.8° | 109.5° |
| O1 | P | C4 | 110.5° | 109.5° |
| P | O1 | H1 | 109.5° | 114.0° |
| P | C4 | C5 | 115.4° | 109.5° |
| P | C4 | H11 | 107.9° | 109.4° |
| P | C4 | H12 | 108.0° | 109.4° |
| C4 | C5 | C10 | 114.0° | 109.4° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C5 | C4 | H11 | 108.0° | 109.5° |
| C5 | C4 | H12 | 108.0° | 109.5° |
| C4 | C5 | H13 | 107.3° | 109.4° |
| C10 | C5 | C6 | 111.8° | 109.5° |
| C5 | C10 | C9 | 115.3° | 109.4° |
| C10 | C5 | H13 | 107.4° | 109.5° |
| C5 | C10 | H14 | 108.0° | 109.5° |
| C5 | C10 | H15 | 108.0° | 109.5° |
| C5 | C6 | C7 | 113.6° | 109.5° |
| C6 | C5 | H13 | 107.4° | 109.5° |
| C5 | C6 | H22 | 108.4° | 109.5° |
| C5 | C6 | H23 | 108.4° | 109.5° |
| C10 | C9 | C8 | 116.0° | 109.5° |
| C9 | C10 | H14 | 108.0° | 109.5° |
| C9 | C10 | H15 | 108.0° | 109.4° |
| C10 | C9 | H16 | 107.8° | 109.5° |
| C10 | C9 | H17 | 107.8° | 109.4° |
| C6 | C7 | C8 | 112.8° | 109.5° |
| C6 | C7 | H20 | 108.7° | 109.5° |
| C6 | C7 | H21 | 108.6° | 109.5° |
| C7 | C6 | H22 | 108.4° | 109.4° |
| C7 | C6 | H23 | 108.4° | 109.5° |
| C7 | C8 | C9 | 114.9° | 109.5° |
| C7 | C8 | H18 | 108.1° | 109.5° |
| C7 | C8 | H19 | 108.1° | 109.5° |
| C8 | C7 | H20 | 108.6° | 109.5° |
| C8 | C7 | H21 | 108.6° | 109.5° |
| C8 | C9 | H16 | 107.8° | 109.5° |
| C8 | C9 | H17 | 107.8° | 109.5° |
| C9 | C8 | H18 | 108.1° | 109.5° |
| C9 | C8 | H19 | 108.1° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.4° | 109.5° |
| H8 | N | H9 | 109.4° | 111.0° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H18 | C8 | H19 | 109.4° | 109.5° |
| H20 | C7 | H21 | 109.5° | 109.4° |
| H22 | C6 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C1 | C2 | H6 | 120.2° | 120.0° |
| N | C1 | C2 | H7 | 120.2° | 119.9° |
| N | C1 | C2 | C3 | 179.5° | 180.0° |
| N | C1 | C2 | H4 | 60.3° | 60.0° |
| N | C1 | C2 | H5 | 59.2° | 60.0° |
| N | C1 | H6 | H7 | 119.4° | 120.0° |
| C1 | N | H8 | H9 | 120.0° | 123.9° |
| C1 | C2 | C3 | H4 | 120.2° | 120.0° |
| C1 | C2 | C3 | H5 | 120.2° | 119.9° |
| C1 | C2 | C3 | P | 165.1° | 180.0° |
| C1 | C2 | C3 | H2 | 74.5° | 60.0° |
| C1 | C2 | C3 | H3 | 44.6° | 60.0° |
| C1 | C2 | H4 | H5 | 119.2° | 120.0° |
| C2 | C1 | H6 | H7 | 119.4° | 120.1° |
| C2 | C1 | N | H8 | 180.0° | 180.0° |
| C2 | C1 | N | H9 | 60.0° | 56.1° |
| C2 | C3 | P | O2 | 51.8° | 55.0° |
| C2 | C3 | P | H2 | 120.4° | 120.0° |
| C2 | C3 | P | H3 | 120.4° | 120.0° |
| C2 | C3 | P | O1 | 171.4° | 65.0° |
| C2 | C3 | P | C4 | 67.6° | 175.0° |
| C2 | C3 | H2 | H3 | 118.7° | 120.1° |
| C3 | C2 | H4 | H5 | 119.3° | 120.0° |
| C3 | C2 | C1 | H6 | 59.3° | 60.0° |
| C3 | C2 | C1 | H7 | 60.3° | 60.1° |
| O2 | P | C3 | O1 | 119.7° | 120.0° |
| O2 | P | C3 | C4 | 119.3° | 120.0° |
| O2 | P | O1 | C4 | 118.0° | 120.0° |
| O2 | P | C4 | C5 | 168.9° | 55.1° |
| O2 | P | O1 | H1 | 0.0° | 180.0° |
| O2 | P | C3 | H2 | 172.2° | 175.0° |
| O2 | P | C3 | H3 | 68.7° | 65.0° |
| O2 | P | C4 | H11 | 70.3° | 65.0° |
| O2 | P | C4 | H12 | 48.0° | 175.0° |
| C3 | P | O1 | C4 | 121.1° | 120.0° |
| C3 | P | C4 | C5 | 47.4° | 175.0° |
| C3 | P | O1 | H1 | 120.9° | 60.0° |
| P | C3 | H2 | H3 | 118.7° | 120.0° |
| P | C3 | C2 | H4 | 44.8° | 60.0° |
| P | C3 | C2 | H5 | 74.7° | 60.0° |
| C3 | P | C4 | H11 | 168.3° | 54.9° |
| C3 | P | C4 | H12 | 73.5° | 65.0° |
| O1 | P | C4 | C5 | 72.1° | 65.0° |
| O1 | P | C3 | H2 | 68.1° | 55.0° |
| O1 | P | C3 | H3 | 51.0° | 175.0° |
| O1 | P | C4 | H11 | 48.7° | 175.0° |
| O1 | P | C4 | H12 | 167.0° | 55.0° |
| P | C4 | C5 | H11 | 120.8° | 120.0° |
| P | C4 | C5 | H12 | 120.9° | 120.0° |
| P | C4 | C5 | C10 | 72.2° | 165.0° |
| P | C4 | C5 | C6 | 162.5° | 74.9° |
| C4 | P | O1 | H1 | 118.0° | 60.0° |
| C4 | P | C3 | H2 | 52.8° | 65.0° |
| C4 | P | C3 | H3 | 172.0° | 54.9° |
| P | C4 | H11 | H12 | 117.3° | 119.9° |
| P | C4 | C5 | H13 | 46.6° | 45.1° |
| C4 | C5 | C10 | C6 | 123.6° | 120.1° |
| C4 | C5 | C10 | H13 | 118.8° | 119.9° |
| C4 | C5 | C6 | H13 | 115.8° | 120.0° |
| C4 | C5 | C10 | C9 | 133.7° | 180.0° |
| C4 | C5 | C6 | C7 | 178.5° | 180.0° |
| C5 | C4 | H11 | H12 | 117.3° | 120.0° |
| C4 | C5 | C10 | H14 | 105.4° | 59.9° |
| C4 | C5 | C10 | H15 | 12.9° | 60.1° |
| C4 | C5 | C6 | H22 | 60.9° | 60.0° |
| C4 | C5 | C6 | H23 | 57.9° | 60.0° |
| C10 | C5 | C6 | H13 | 117.6° | 120.0° |
| C5 | C10 | C9 | H14 | 120.8° | 120.1° |
| C5 | C10 | C9 | H15 | 120.8° | 119.9° |
| C10 | C5 | C6 | C7 | 54.8° | 60.0° |
| C5 | C10 | C9 | C8 | 36.8° | 59.9° |
| C10 | C5 | C4 | H11 | 48.6° | 45.0° |
| C10 | C5 | C4 | H12 | 166.9° | 75.1° |
| C5 | C10 | H14 | H15 | 117.3° | 120.0° |
| C5 | C10 | C9 | H16 | 157.8° | 60.1° |
| C5 | C10 | C9 | H17 | 84.1° | 180.0° |
| C10 | C5 | C6 | H22 | 65.8° | 60.0° |
| C10 | C5 | C6 | H23 | 175.4° | 180.0° |
| C6 | C5 | C10 | C9 | 10.1° | 59.9° |
| C5 | C6 | C7 | H22 | 120.6° | 120.0° |
| C5 | C6 | C7 | H23 | 120.6° | 120.1° |
| C5 | C6 | C7 | C8 | 51.3° | 59.9° |
| C6 | C5 | C4 | H11 | 76.7° | 165.0° |
| C6 | C5 | C4 | H12 | 41.6° | 45.0° |
| C6 | C5 | C10 | H14 | 130.9° | 180.0° |
| C6 | C5 | C10 | H15 | 110.8° | 60.0° |
| C5 | C6 | C7 | H20 | 171.8° | 60.1° |
| C5 | C6 | C7 | H21 | 69.2° | 180.0° |
| C5 | C6 | H22 | H23 | 118.1° | 120.0° |
| C10 | C9 | C8 | C7 | 40.6° | 60.0° |
| C10 | C9 | C8 | H16 | 120.9° | 120.0° |
| C10 | C9 | C8 | H17 | 121.0° | 120.0° |
| C9 | C10 | C5 | H13 | 107.5° | 60.1° |
| C9 | C10 | H14 | H15 | 117.4° | 120.0° |
| C10 | C9 | H16 | H17 | 117.0° | 119.9° |
| C10 | C9 | C8 | H18 | 161.4° | 180.0° |
| C10 | C9 | C8 | H19 | 80.2° | 60.0° |
| C6 | C7 | C8 | H20 | 120.5° | 120.0° |
| C6 | C7 | C8 | H21 | 120.5° | 120.1° |
| C6 | C7 | C8 | C9 | 3.1° | 59.9° |
| C7 | C6 | C5 | H13 | 62.7° | 60.1° |
| C6 | C7 | C8 | H18 | 117.7° | 180.0° |
| C6 | C7 | C8 | H19 | 124.0° | 60.0° |
| C6 | C7 | H20 | H21 | 118.5° | 120.0° |
| C7 | C6 | H22 | H23 | 118.1° | 120.0° |
| C7 | C8 | C9 | H18 | 120.8° | 120.0° |
| C7 | C8 | C9 | H19 | 120.8° | 120.0° |
| C7 | C8 | C9 | H16 | 161.5° | 60.1° |
| C7 | C8 | C9 | H17 | 80.4° | 180.0° |
| C7 | C8 | H18 | H19 | 117.5° | 120.0° |
| C8 | C7 | H20 | H21 | 118.5° | 119.9° |
| C8 | C7 | C6 | H22 | 69.3° | 60.0° |
| C8 | C7 | C6 | H23 | 171.9° | 180.0° |
| C8 | C9 | C10 | H14 | 84.0° | 180.0° |
| C8 | C9 | C10 | H15 | 157.7° | 60.0° |
| C8 | C9 | H16 | H17 | 117.0° | 120.0° |
| C9 | C8 | H18 | H19 | 117.6° | 120.0° |
| C9 | C8 | C7 | H20 | 123.7° | 60.1° |
| C9 | C8 | C7 | H21 | 117.3° | 180.0° |
| H2 | C3 | C2 | H4 | 165.3° | 180.0° |
| H2 | C3 | C2 | H5 | 45.8° | 59.9° |
| H3 | C3 | C2 | H4 | 75.6° | 60.0° |
| H3 | C3 | C2 | H5 | 164.9° | 180.0° |
| H4 | C2 | C1 | H6 | 179.5° | 180.0° |
| H4 | C2 | C1 | H7 | 59.9° | 59.9° |
| H5 | C2 | C1 | H6 | 61.0° | 59.9° |
| H5 | C2 | C1 | H7 | 179.4° | 180.0° |
| H6 | C1 | N | H8 | 59.8° | 60.0° |
| H6 | C1 | N | H9 | 60.2° | 176.1° |
| H7 | C1 | N | H8 | 59.8° | 60.0° |
| H7 | C1 | N | H9 | 179.8° | 63.9° |
| H11 | C4 | C5 | H13 | 167.4° | 75.0° |
| H12 | C4 | C5 | H13 | 74.3° | 165.0° |
| H13 | C5 | C10 | H14 | 13.4° | 60.0° |
| H13 | C5 | C10 | H15 | 131.6° | NaN° |
| H13 | C5 | C6 | H22 | 176.7° | 180.0° |
| H13 | C5 | C6 | H23 | 57.9° | 60.0° |
| H14 | C10 | C9 | H16 | 37.0° | 60.0° |
| H14 | C10 | C9 | H17 | 155.1° | 59.9° |
| H15 | C10 | C9 | H16 | 81.4° | 180.0° |
| H15 | C10 | C9 | H17 | 36.7° | 60.1° |
| H16 | C9 | C8 | H18 | 77.7° | 59.9° |
| H16 | C9 | C8 | H19 | 40.7° | 179.9° |
| H17 | C9 | C8 | H18 | 40.4° | 60.0° |
| H17 | C9 | C8 | H19 | 158.8° | 60.0° |
| H18 | C8 | C7 | H20 | 2.9° | 59.9° |
| H18 | C8 | C7 | H21 | 121.9° | 59.9° |
| H19 | C8 | C7 | H20 | 115.5° | 179.9° |
| H19 | C8 | C7 | H21 | 3.5° | 60.0° |
| H20 | C7 | C6 | H22 | 51.2° | 180.0° |
| H20 | C7 | C6 | H23 | 67.6° | 60.0° |
| H21 | C7 | C6 | H22 | 170.2° | 60.0° |
| H21 | C7 | C6 | H23 | 51.5° | 60.0° |
