56W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.54Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C5 | O | sing | 1.34Å | 1.32Å | |
| C6 | P | sing | 1.82Å | 1.82Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | P | sing | 1.82Å | 1.81Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| O2 | P | doub | 1.48Å | 1.58Å | |
| C9 | C12 | sing | 1.51Å | 1.50Å | |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| C10 | N1 | sing | 1.35Å | 1.34Å | |
| C10 | O3 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| O8 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | O7 | sing | 1.34Å | 1.33Å | |
| C13 | C | sing | 1.51Å | 1.49Å | |
| C | N | sing | 1.47Å | 1.48Å | |
| P | O6 | sing | 1.61Å | 1.47Å | |
| C12 | O5 | doub | 1.21Å | 1.22Å | |
| C12 | O4 | sing | 1.34Å | 1.32Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| O7 | H24 | sing | 0.97Å | 0.95Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| O6 | H26 | sing | 0.97Å | 0.95Å | |
| O4 | H23 | sing | 0.97Å | 0.95Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C | 114.9° | 109.4° |
| C1 | C2 | C3 | 111.7° | 109.4° |
| C2 | C1 | H4 | 108.1° | 109.5° |
| C2 | C1 | H5 | 108.1° | 109.5° |
| C1 | C2 | H7 | 108.9° | 109.5° |
| C1 | C2 | H6 | 108.9° | 109.5° |
| C1 | C | C13 | 110.4° | 109.5° |
| C1 | C | N | 113.0° | 109.5° |
| C | C1 | H4 | 108.1° | 109.5° |
| C | C1 | H5 | 108.1° | 109.5° |
| C1 | C | H | 108.5° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C3 | C2 | H7 | 108.9° | 109.5° |
| C3 | C2 | H6 | 108.9° | 109.5° |
| C2 | C3 | H8 | 108.6° | 109.5° |
| C2 | C3 | H9 | 108.6° | 109.5° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | C6 | 113.4° | 109.4° |
| C4 | C3 | H8 | 108.6° | 109.5° |
| C4 | C3 | H9 | 108.6° | 109.4° |
| C3 | C4 | H10 | 106.0° | 109.4° |
| C5 | C4 | C6 | 112.6° | 109.5° |
| C4 | C5 | O1 | 125.4° | 120.0° |
| C4 | C5 | O | 116.3° | 120.0° |
| C5 | C4 | H10 | 106.1° | 109.5° |
| C4 | C6 | P | 120.0° | 109.4° |
| C6 | C4 | H10 | 105.6° | 109.5° |
| C4 | C6 | H12 | 106.8° | 109.5° |
| C4 | C6 | H13 | 106.8° | 109.5° |
| O1 | C5 | O | 118.3° | 120.0° |
| C5 | O | H11 | 109.5° | 116.9° |
| C6 | P | C7 | 105.5° | 109.5° |
| C6 | P | O2 | 108.7° | 109.5° |
| C6 | P | O6 | 110.1° | 109.5° |
| P | C6 | H12 | 106.8° | 109.4° |
| P | C6 | H13 | 106.8° | 109.4° |
| C8 | C7 | P | 112.4° | 109.4° |
| C7 | C8 | C9 | 107.4° | 109.4° |
| C8 | C7 | H15 | 108.7° | 109.4° |
| C8 | C7 | H16 | 108.8° | 109.4° |
| C7 | C8 | H17 | 110.0° | 109.5° |
| C7 | C8 | H18 | 110.0° | 109.5° |
| C7 | P | O2 | 111.2° | 109.5° |
| C7 | P | O6 | 104.1° | 109.5° |
| P | C7 | H15 | 108.7° | 109.5° |
| P | C7 | H16 | 108.7° | 109.5° |
| C8 | C9 | C12 | 109.4° | 109.5° |
| C8 | C9 | N1 | 111.9° | 109.5° |
| C9 | C8 | H17 | 110.0° | 109.5° |
| C9 | C8 | H18 | 110.0° | 109.4° |
| C8 | C9 | H1 | 106.7° | 109.5° |
| O2 | P | O6 | 116.7° | 109.5° |
| C12 | C9 | N1 | 113.8° | 109.5° |
| C9 | C12 | O5 | 122.5° | 120.0° |
| C9 | C12 | O4 | 118.9° | 120.0° |
| C12 | C9 | H1 | 107.0° | 109.5° |
| C9 | N1 | C10 | 121.4° | 120.0° |
| N1 | C9 | H1 | 107.6° | 109.5° |
| C9 | N1 | H19 | 119.3° | 120.0° |
| N1 | C10 | O3 | 122.1° | 120.0° |
| N1 | C10 | C11 | 115.9° | 120.0° |
| C10 | N1 | H19 | 119.3° | 120.0° |
| O3 | C10 | C11 | 122.0° | 120.0° |
| C10 | C11 | H22 | 109.5° | 109.5° |
| C10 | C11 | H21 | 109.5° | 109.5° |
| C10 | C11 | H20 | 109.5° | 109.5° |
| O8 | C13 | O7 | 120.8° | 120.0° |
| O8 | C13 | C | 121.8° | 120.0° |
| O7 | C13 | C | 117.4° | 120.0° |
| C13 | O7 | H24 | 109.5° | 117.0° |
| C13 | C | N | 106.3° | 109.5° |
| C13 | C | H | 109.2° | 109.5° |
| N | C | H | 109.4° | 109.5° |
| C | N | H3 | 109.5° | 111.1° |
| C | N | H2 | 109.5° | 111.0° |
| P | O6 | H26 | 109.5° | 114.0° |
| O5 | C12 | O4 | 118.6° | 120.0° |
| C12 | O4 | H23 | 109.5° | 117.0° |
| H4 | C1 | H5 | 109.4° | 109.5° |
| H7 | C2 | H6 | 109.5° | 109.5° |
| H8 | C3 | H9 | 109.5° | 109.4° |
| H12 | C6 | H13 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H3 | N | H2 | 109.4° | 111.0° |
| H22 | C11 | H21 | 109.4° | 109.5° |
| H22 | C11 | H20 | 109.5° | 109.5° |
| H21 | C11 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C | H4 | 120.8° | 120.0° |
| C2 | C1 | C | H5 | 120.8° | 120.0° |
| C1 | C2 | C3 | H7 | 120.3° | 120.0° |
| C1 | C2 | C3 | H6 | 120.4° | 120.0° |
| C1 | C2 | C3 | C4 | 150.2° | 180.0° |
| C2 | C1 | C | C13 | 57.9° | 175.0° |
| C2 | C1 | C | N | 61.0° | 65.0° |
| C2 | C1 | H4 | H5 | 117.5° | 120.0° |
| C1 | C2 | H7 | H6 | 119.0° | 120.0° |
| C1 | C2 | C3 | H8 | 29.7° | 60.0° |
| C1 | C2 | C3 | H9 | 89.2° | 60.0° |
| C2 | C1 | C | H | 177.5° | 55.0° |
| C | C1 | C2 | C3 | 162.8° | 180.0° |
| C1 | C | C13 | O8 | 127.5° | 99.9° |
| C1 | C | C13 | O7 | 54.6° | 80.0° |
| C1 | C | C13 | N | 122.9° | 120.0° |
| C1 | C | C13 | H | 119.2° | 120.0° |
| C1 | C | N | H | 121.0° | 120.0° |
| C | C1 | H4 | H5 | 117.5° | 120.0° |
| C | C1 | C2 | H7 | 42.4° | 60.0° |
| C | C1 | C2 | H6 | 76.9° | 59.9° |
| C1 | C | N | H3 | 180.0° | 64.0° |
| C1 | C | N | H2 | 60.0° | 60.0° |
| C2 | C3 | C4 | H8 | 120.5° | 120.1° |
| C2 | C3 | C4 | H9 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 61.6° | 65.0° |
| C2 | C3 | C4 | C6 | 169.3° | 175.0° |
| C3 | C2 | C1 | H4 | 42.0° | 60.0° |
| C3 | C2 | C1 | H5 | 76.4° | 60.0° |
| C3 | C2 | H7 | H6 | 118.9° | 120.0° |
| C2 | C3 | H8 | H9 | 118.4° | 120.1° |
| C2 | C3 | C4 | H10 | 53.9° | 55.0° |
| C3 | C4 | C5 | C6 | 129.5° | 120.0° |
| C3 | C4 | C5 | H10 | 115.4° | 120.0° |
| C3 | C4 | C6 | H10 | 115.6° | 119.9° |
| C3 | C4 | C5 | O1 | 14.4° | 0.0° |
| C3 | C4 | C5 | O | 163.6° | 180.0° |
| C3 | C4 | C6 | P | 81.6° | 165.0° |
| C4 | C3 | C2 | H7 | 89.4° | 60.0° |
| C4 | C3 | C2 | H6 | 29.9° | 60.0° |
| C4 | C3 | H8 | H9 | 118.4° | 119.9° |
| C3 | C4 | C6 | H12 | 156.9° | 45.0° |
| C3 | C4 | C6 | H13 | 39.9° | 75.1° |
| C5 | C4 | C6 | H10 | 115.4° | 120.0° |
| C4 | C5 | O1 | O | 177.9° | 179.9° |
| C5 | C4 | C6 | P | 47.5° | 75.0° |
| C5 | C4 | C3 | H8 | 177.9° | 174.9° |
| C5 | C4 | C3 | H9 | 58.9° | 55.0° |
| C5 | C4 | C6 | H12 | 74.0° | 165.0° |
| C5 | C4 | C6 | H13 | 169.0° | 44.9° |
| C4 | C5 | O | H11 | 178.1° | 180.0° |
| C6 | C4 | C5 | O1 | 115.2° | 120.0° |
| C6 | C4 | C5 | O | 66.9° | 60.1° |
| C4 | C6 | P | H12 | 121.5° | 120.0° |
| C4 | C6 | P | H13 | 121.5° | 120.0° |
| C4 | C6 | P | C7 | 158.7° | 175.0° |
| C4 | C6 | P | O2 | 39.5° | 55.0° |
| C4 | C6 | P | O6 | 89.5° | 65.0° |
| C6 | C4 | C3 | H8 | 48.8° | 54.9° |
| C6 | C4 | C3 | H9 | 70.2° | 65.0° |
| C4 | C6 | H12 | H13 | 115.2° | 120.1° |
| O1 | C5 | C4 | H10 | 129.7° | 119.9° |
| O1 | C5 | O | H11 | 0.0° | 0.0° |
| O | C5 | C4 | H10 | 48.2° | 60.0° |
| C6 | P | C7 | C8 | 71.6° | 175.0° |
| C6 | P | C7 | O2 | 117.6° | 120.0° |
| C6 | P | C7 | O6 | 116.0° | 120.0° |
| C6 | P | O2 | O6 | 125.2° | 120.0° |
| P | C6 | C4 | H10 | 162.8° | 45.0° |
| P | C6 | H12 | H13 | 115.3° | 119.9° |
| C6 | P | C7 | H15 | 168.0° | 65.0° |
| C6 | P | C7 | H16 | 48.9° | 55.0° |
| C6 | P | O6 | H26 | 124.5° | 60.0° |
| C8 | C7 | P | H15 | 120.4° | 120.0° |
| C8 | C7 | P | H16 | 120.5° | 120.0° |
| C7 | C8 | C9 | H17 | 119.7° | 120.0° |
| C7 | C8 | C9 | H18 | 119.7° | 120.0° |
| C8 | C7 | P | O2 | 46.0° | 55.0° |
| C7 | C8 | C9 | C12 | 59.4° | 175.0° |
| C7 | C8 | C9 | N1 | 173.5° | 65.0° |
| C8 | C7 | P | O6 | 172.4° | 65.0° |
| C8 | C7 | H15 | H16 | 118.7° | 120.0° |
| C7 | C8 | H17 | H18 | 121.0° | 120.1° |
| C7 | C8 | C9 | H1 | 56.0° | 55.0° |
| P | C7 | C8 | C9 | 144.3° | 180.0° |
| C7 | P | O2 | O6 | 119.1° | 120.0° |
| C7 | P | C6 | H12 | 37.3° | 55.0° |
| C7 | P | C6 | H13 | 79.8° | 65.0° |
| P | C7 | H15 | H16 | 118.6° | 120.1° |
| P | C7 | C8 | H17 | 24.6° | 60.1° |
| P | C7 | C8 | H18 | 96.1° | 60.0° |
| C7 | P | O6 | H26 | 122.8° | 60.0° |
| C8 | C9 | C12 | N1 | 126.0° | 120.0° |
| C8 | C9 | C12 | H1 | 115.3° | 120.0° |
| C8 | C9 | N1 | H1 | 117.0° | 120.0° |
| C8 | C9 | N1 | C10 | 162.1° | 155.0° |
| C8 | C9 | C12 | O5 | 68.8° | 120.0° |
| C8 | C9 | C12 | O4 | 110.1° | 60.0° |
| C9 | C8 | C7 | H15 | 23.9° | 60.0° |
| C9 | C8 | C7 | H16 | 95.3° | 60.0° |
| C9 | C8 | H17 | H18 | 120.9° | 120.0° |
| C8 | C9 | N1 | H19 | 17.9° | 25.0° |
| O2 | P | C6 | H12 | 82.0° | 65.0° |
| O2 | P | C6 | H13 | 160.9° | 175.0° |
| O2 | P | C7 | H15 | 74.4° | 175.0° |
| O2 | P | C7 | H16 | 166.5° | 65.0° |
| O2 | P | O6 | H26 | 0.0° | 180.0° |
| C12 | C9 | N1 | H1 | 118.4° | 120.0° |
| C12 | C9 | N1 | C10 | 73.3° | 85.0° |
| C9 | C12 | O5 | O4 | 178.9° | 180.0° |
| C12 | C9 | C8 | H17 | 179.1° | 65.0° |
| C12 | C9 | C8 | H18 | 60.3° | 55.1° |
| C9 | C12 | O4 | H23 | 179.0° | 180.0° |
| C12 | C9 | N1 | H19 | 106.7° | 95.0° |
| C9 | N1 | C10 | H19 | 180.0° | 180.0° |
| C9 | N1 | C10 | O3 | 4.4° | 0.1° |
| C9 | N1 | C10 | C11 | 174.2° | 180.0° |
| N1 | C9 | C12 | O5 | 57.1° | 0.0° |
| N1 | C9 | C12 | O4 | 123.9° | 180.0° |
| N1 | C9 | C8 | H17 | 53.8° | 55.0° |
| N1 | C9 | C8 | H18 | 66.8° | 175.0° |
| N1 | C10 | O3 | C11 | 178.6° | 179.9° |
| C10 | N1 | C9 | H1 | 45.1° | 35.0° |
| N1 | C10 | C11 | H22 | 178.6° | 90.0° |
| N1 | C10 | C11 | H21 | 58.7° | 150.0° |
| N1 | C10 | C11 | H20 | 61.3° | 30.0° |
| O3 | C10 | N1 | H19 | 175.6° | 179.9° |
| O3 | C10 | C11 | H22 | 0.0° | 90.0° |
| O3 | C10 | C11 | H21 | 120.0° | 29.9° |
| O3 | C10 | C11 | H20 | 120.0° | 150.0° |
| C11 | C10 | N1 | H19 | 5.8° | 0.0° |
| C10 | C11 | H22 | H21 | 120.0° | 120.0° |
| C10 | C11 | H22 | H20 | 120.0° | 120.0° |
| C10 | C11 | H21 | H20 | 120.0° | 120.0° |
| O8 | C13 | O7 | C | 177.9° | 179.9° |
| O8 | C13 | C | N | 4.7° | 20.0° |
| O8 | C13 | O7 | H24 | 0.0° | 0.1° |
| O8 | C13 | C | H | 113.2° | 140.0° |
| O7 | C13 | C | N | 177.4° | 160.0° |
| O7 | C13 | C | H | 64.7° | 40.0° |
| C13 | C | N | H | 117.8° | 120.0° |
| C13 | C | C1 | H4 | 62.9° | 65.0° |
| C13 | C | C1 | H5 | 178.7° | 55.0° |
| C | C13 | O7 | H24 | 177.9° | 180.0° |
| C13 | C | N | H3 | 58.8° | 176.1° |
| C13 | C | N | H2 | 178.8° | 60.0° |
| N | C | C1 | H4 | 178.2° | 55.0° |
| N | C | C1 | H5 | 59.9° | 175.0° |
| C | N | H3 | H2 | 120.0° | 124.0° |
| O6 | P | C6 | H12 | 149.0° | 175.0° |
| O6 | P | C6 | H13 | 32.0° | 55.0° |
| O6 | P | C7 | H15 | 52.0° | 54.9° |
| O6 | P | C7 | H16 | 67.1° | 175.0° |
| O5 | C12 | C9 | H1 | 175.9° | 120.0° |
| O5 | C12 | O4 | H23 | 0.0° | 0.0° |
| O4 | C12 | C9 | H1 | 5.2° | 60.0° |
| H4 | C1 | C2 | H7 | 78.4° | 60.0° |
| H4 | C1 | C2 | H6 | 162.3° | 180.0° |
| H4 | C1 | C | H | 56.7° | 175.0° |
| H5 | C1 | C2 | H7 | 163.2° | 180.0° |
| H5 | C1 | C2 | H6 | 43.9° | 60.0° |
| H5 | C1 | C | H | 61.6° | 65.0° |
| H7 | C2 | C3 | H8 | 150.1° | 180.0° |
| H7 | C2 | C3 | H9 | 31.1° | 60.0° |
| H6 | C2 | C3 | H8 | 90.6° | 60.0° |
| H6 | C2 | C3 | H9 | 150.4° | 180.0° |
| H8 | C3 | C4 | H10 | 66.6° | 65.1° |
| H9 | C3 | C4 | H10 | 174.4° | 175.0° |
| H10 | C4 | C6 | H12 | 41.4° | 74.9° |
| H10 | C4 | C6 | H13 | 75.7° | 165.0° |
| H15 | C7 | C8 | H17 | 95.8° | 60.0° |
| H15 | C7 | C8 | H18 | 143.5° | 180.0° |
| H16 | C7 | C8 | H17 | 145.1° | 180.0° |
| H16 | C7 | C8 | H18 | 24.4° | 60.0° |
| H17 | C8 | C9 | H1 | 63.6° | 175.0° |
| H18 | C8 | C9 | H1 | 175.7° | 65.0° |
| H1 | C9 | N1 | H19 | 134.8° | 145.0° |
| H | C | N | H3 | 59.0° | 56.1° |
| H | C | N | H2 | 61.0° | 180.0° |
| H22 | C11 | H21 | H20 | 120.1° | 120.0° |
