3V9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | P | doub | 1.48Å | 1.47Å | |
| O3 | P | sing | 1.61Å | 1.49Å | |
| P | O1 | sing | 1.61Å | 1.48Å | |
| P | O01 | sing | 1.61Å | 1.65Å | |
| O24 | C05 | sing | 1.43Å | 1.44Å | |
| O01 | C02 | sing | 1.43Å | 1.44Å | |
| C05 | C06 | sing | 1.51Å | 1.54Å | |
| C05 | C03 | sing | 1.53Å | 1.57Å | |
| O23 | C06 | doub | 1.21Å | 1.22Å | |
| C06 | N07 | sing | 1.35Å | 1.32Å | |
| N07 | C08 | sing | 1.46Å | 1.47Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.57Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | C25 | sing | 1.53Å | 1.53Å | |
| O22 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | C09 | sing | 1.51Å | 1.52Å | |
| C10 | N11 | sing | 1.35Å | 1.34Å | |
| C12 | N11 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.43Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.35Å | Aromatic |
| C21 | C17 | sing | 1.39Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.35Å | Aromatic |
| C16 | O20 | sing | 1.36Å | 1.36Å | |
| C17 | O18 | sing | 1.37Å | 1.37Å | |
| O20 | C19 | sing | 1.44Å | 1.46Å | |
| O18 | C19 | sing | 1.44Å | 1.43Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| O24 | H12 | sing | 0.97Å | 0.95Å | |
| N07 | H13 | sing | 0.97Å | 1.00Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | P | O3 | 119.4° | 109.5° |
| O2 | P | O1 | 114.7° | 109.5° |
| O2 | P | O01 | 100.8° | 109.5° |
| O3 | P | O1 | 117.1° | 109.5° |
| O3 | P | O01 | 100.1° | 109.4° |
| P | O3 | H2 | 109.5° | 114.0° |
| O1 | P | O01 | 99.0° | 109.5° |
| P | O1 | H1 | 109.5° | 113.9° |
| P | O01 | C02 | 124.2° | 123.0° |
| O24 | C05 | C06 | 108.3° | 109.5° |
| O24 | C05 | C03 | 111.0° | 109.5° |
| O24 | C05 | H11 | 109.5° | 109.5° |
| C05 | O24 | H12 | 109.5° | 114.0° |
| O01 | C02 | C03 | 111.5° | 109.5° |
| O01 | C02 | H3 | 109.0° | 109.5° |
| O01 | C02 | H4 | 109.0° | 109.4° |
| C06 | C05 | C03 | 111.8° | 109.5° |
| C05 | C06 | O23 | 121.0° | 120.0° |
| C05 | C06 | N07 | 115.8° | 120.0° |
| C06 | C05 | H11 | 108.2° | 109.5° |
| C05 | C03 | C02 | 109.9° | 109.5° |
| C05 | C03 | C04 | 110.1° | 109.5° |
| C05 | C03 | C25 | 108.9° | 109.5° |
| C03 | C05 | H11 | 107.9° | 109.4° |
| O23 | C06 | N07 | 123.1° | 120.0° |
| C06 | N07 | C08 | 123.1° | 120.0° |
| C06 | N07 | H13 | 118.4° | 120.0° |
| N07 | C08 | C09 | 112.5° | 109.4° |
| C08 | N07 | H13 | 118.4° | 120.1° |
| N07 | C08 | H14 | 108.7° | 109.5° |
| N07 | C08 | H15 | 108.7° | 109.5° |
| C08 | C09 | C10 | 108.7° | 109.5° |
| C09 | C08 | H14 | 108.7° | 109.4° |
| C09 | C08 | H15 | 108.7° | 109.5° |
| C08 | C09 | H16 | 109.7° | 109.5° |
| C08 | C09 | H17 | 109.6° | 109.5° |
| C02 | C03 | C04 | 110.5° | 109.5° |
| C02 | C03 | C25 | 109.0° | 109.4° |
| C03 | C02 | H3 | 109.0° | 109.5° |
| C03 | C02 | H4 | 109.0° | 109.5° |
| C04 | C03 | C25 | 108.5° | 109.5° |
| C03 | C04 | H5 | 109.5° | 109.5° |
| C03 | C04 | H6 | 109.5° | 109.5° |
| C03 | C04 | H7 | 109.5° | 109.4° |
| C03 | C25 | H8 | 109.5° | 109.5° |
| C03 | C25 | H9 | 109.4° | 109.5° |
| C03 | C25 | H10 | 109.5° | 109.5° |
| O22 | C10 | C09 | 119.3° | 120.0° |
| O22 | C10 | N11 | 124.0° | 120.0° |
| C09 | C10 | N11 | 116.7° | 120.0° |
| C10 | C09 | H16 | 109.6° | 109.5° |
| C10 | C09 | H17 | 109.7° | 109.5° |
| C10 | N11 | C12 | 120.9° | 119.9° |
| C10 | N11 | H18 | 119.5° | 120.0° |
| N11 | C12 | C13 | 114.7° | 109.4° |
| C12 | N11 | H18 | 119.5° | 120.1° |
| N11 | C12 | H19 | 108.1° | 109.5° |
| N11 | C12 | H20 | 108.1° | 109.5° |
| C12 | C13 | C14 | 117.5° | 120.0° |
| C12 | C13 | C21 | 125.0° | 119.9° |
| C13 | C12 | H19 | 108.1° | 109.5° |
| C13 | C12 | H20 | 108.1° | 109.5° |
| C13 | C14 | C15 | 120.4° | 120.2° |
| C14 | C13 | C21 | 117.5° | 120.1° |
| C13 | C14 | H25 | 119.8° | 119.9° |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C14 | C15 | H24 | 120.0° | 120.0° |
| C15 | C14 | H25 | 119.8° | 119.9° |
| C13 | C21 | C17 | 120.3° | 120.0° |
| C13 | C21 | H21 | 119.9° | 120.0° |
| C15 | C16 | C17 | 121.0° | 119.9° |
| C15 | C16 | O20 | 127.3° | 131.5° |
| C16 | C15 | H24 | 120.0° | 120.0° |
| C21 | C17 | C16 | 120.8° | 119.8° |
| C21 | C17 | O18 | 128.8° | 131.5° |
| C17 | C21 | H21 | 119.9° | 120.0° |
| C17 | C16 | O20 | 111.7° | 108.6° |
| C16 | C17 | O18 | 110.4° | 108.6° |
| C16 | O20 | C19 | 104.5° | 105.5° |
| C17 | O18 | C19 | 105.3° | 105.4° |
| O20 | C19 | O18 | 107.5° | 103.8° |
| O20 | C19 | H22 | 110.0° | 110.6° |
| O20 | C19 | H23 | 110.0° | 110.7° |
| O18 | C19 | H22 | 110.0° | 110.5° |
| O18 | C19 | H23 | 109.9° | 110.5° |
| H3 | C02 | H4 | 109.5° | 109.4° |
| H5 | C04 | H6 | 109.5° | 109.5° |
| H5 | C04 | H7 | 109.4° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.4° |
| H8 | C25 | H9 | 109.5° | 109.5° |
| H8 | C25 | H10 | 109.4° | 109.5° |
| H9 | C25 | H10 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P | O3 | O1 | 145.8° | 120.1° |
| O2 | P | O3 | O01 | 108.6° | 120.0° |
| O2 | P | O1 | O01 | 106.4° | 120.0° |
| O2 | P | O01 | C02 | 169.1° | 54.9° |
| O2 | P | O1 | H1 | 0.0° | 60.0° |
| O2 | P | O3 | H2 | 0.0° | 180.0° |
| O3 | P | O1 | O01 | 106.3° | 119.9° |
| O3 | P | O01 | C02 | 68.1° | 65.1° |
| O3 | P | O1 | H1 | 147.4° | 60.1° |
| O1 | P | O01 | C02 | 51.6° | 175.0° |
| O1 | P | O3 | H2 | 145.8° | 59.9° |
| P | O01 | C02 | C03 | 123.5° | 180.0° |
| O01 | P | O1 | H1 | 106.4° | 180.0° |
| O01 | P | O3 | H2 | 108.6° | 60.0° |
| P | O01 | C02 | H3 | 3.2° | 59.9° |
| P | O01 | C02 | H4 | 116.2° | 60.0° |
| O24 | C05 | C06 | C03 | 122.7° | 120.0° |
| O24 | C05 | C06 | H11 | 118.6° | 120.0° |
| O24 | C05 | C03 | H11 | 120.0° | 120.0° |
| O24 | C05 | C06 | O23 | 168.8° | 8.2° |
| O24 | C05 | C06 | N07 | 10.2° | 171.9° |
| O24 | C05 | C03 | C02 | 50.9° | 65.7° |
| O24 | C05 | C03 | C04 | 172.8° | 174.2° |
| O24 | C05 | C03 | C25 | 68.4° | 54.2° |
| O01 | C02 | C03 | C05 | 55.3° | 180.0° |
| O01 | C02 | C03 | H3 | 120.3° | 120.1° |
| O01 | C02 | C03 | H4 | 120.3° | 120.0° |
| O01 | C02 | C03 | C04 | 66.4° | 59.9° |
| O01 | C02 | C03 | C25 | 174.5° | 60.0° |
| O01 | C02 | H3 | H4 | 119.1° | 119.9° |
| C06 | C05 | C03 | H11 | 118.9° | 120.0° |
| C05 | C06 | O23 | N07 | 178.9° | 180.0° |
| C05 | C06 | N07 | C08 | 179.0° | 175.6° |
| C06 | C05 | C03 | C02 | 172.0° | 54.3° |
| C06 | C05 | C03 | C04 | 66.2° | 65.7° |
| C06 | C05 | C03 | C25 | 52.6° | 174.3° |
| C06 | C05 | O24 | H12 | 180.0° | 60.0° |
| C05 | C06 | N07 | H13 | 1.0° | 4.5° |
| C03 | C05 | C06 | O23 | 68.5° | 111.9° |
| C03 | C05 | C06 | N07 | 112.4° | 68.1° |
| C05 | C03 | C02 | C04 | 121.6° | 120.0° |
| C05 | C03 | C02 | C25 | 119.2° | 120.0° |
| C05 | C03 | C04 | C25 | 119.0° | 120.0° |
| C05 | C03 | C02 | H3 | 65.1° | 59.9° |
| C05 | C03 | C02 | H4 | 175.6° | 60.0° |
| C05 | C03 | C04 | H5 | 180.0° | 173.6° |
| C05 | C03 | C04 | H6 | 60.0° | 53.6° |
| C05 | C03 | C04 | H7 | 60.0° | 66.4° |
| C05 | C03 | C25 | H8 | 180.0° | 56.6° |
| C05 | C03 | C25 | H9 | 60.0° | 63.4° |
| C05 | C03 | C25 | H10 | 60.0° | 176.6° |
| C03 | C05 | O24 | H12 | 56.9° | 60.0° |
| O23 | C06 | N07 | C08 | 0.0° | 4.4° |
| O23 | C06 | C05 | H11 | 50.2° | 128.2° |
| O23 | C06 | N07 | H13 | 180.0° | 175.6° |
| C06 | N07 | C08 | H13 | 180.0° | 180.0° |
| C06 | N07 | C08 | C09 | 79.0° | 180.0° |
| N07 | C06 | C05 | H11 | 128.9° | 51.8° |
| C06 | N07 | C08 | H14 | 41.5° | 60.0° |
| C06 | N07 | C08 | H15 | 160.6° | 60.1° |
| N07 | C08 | C09 | H14 | 120.4° | 120.0° |
| N07 | C08 | C09 | H15 | 120.4° | 120.0° |
| N07 | C08 | C09 | C10 | 170.0° | 180.0° |
| N07 | C08 | H14 | H15 | 118.6° | 120.1° |
| N07 | C08 | C09 | H16 | 70.2° | 60.0° |
| N07 | C08 | C09 | H17 | 50.1° | 60.0° |
| C08 | C09 | C10 | O22 | 87.0° | 0.0° |
| C08 | C09 | C10 | H16 | 119.9° | 120.0° |
| C08 | C09 | C10 | H17 | 119.9° | 120.0° |
| C08 | C09 | C10 | N11 | 92.8° | 180.0° |
| C09 | C08 | N07 | H13 | 101.0° | 0.0° |
| C09 | C08 | H14 | H15 | 118.6° | 120.0° |
| C08 | C09 | H16 | H17 | 120.3° | 120.1° |
| C02 | C03 | C04 | C25 | 119.5° | 120.0° |
| C03 | C02 | H3 | H4 | 119.1° | 120.0° |
| C02 | C03 | C04 | H5 | 58.5° | 66.4° |
| C02 | C03 | C04 | H6 | 61.5° | 173.6° |
| C02 | C03 | C04 | H7 | 178.5° | 53.6° |
| C02 | C03 | C25 | H8 | 60.1° | 63.4° |
| C02 | C03 | C25 | H9 | 179.9° | 176.6° |
| C02 | C03 | C25 | H10 | 59.8° | 56.6° |
| C02 | C03 | C05 | H11 | 69.1° | 174.3° |
| C04 | C03 | C02 | H3 | 173.3° | 180.0° |
| C04 | C03 | C02 | H4 | 53.9° | 60.0° |
| C03 | C04 | H5 | H6 | 120.0° | 120.1° |
| C03 | C04 | H5 | H7 | 120.0° | 120.0° |
| C03 | C04 | H6 | H7 | 120.0° | 119.9° |
| C04 | C03 | C25 | H8 | 60.2° | 176.6° |
| C04 | C03 | C25 | H9 | 59.8° | 56.6° |
| C04 | C03 | C25 | H10 | 179.8° | 63.4° |
| C04 | C03 | C05 | H11 | 52.7° | 54.3° |
| C25 | C03 | C02 | H3 | 54.2° | 60.1° |
| C25 | C03 | C02 | H4 | 65.2° | 180.0° |
| C25 | C03 | C04 | H5 | 60.9° | 53.6° |
| C25 | C03 | C04 | H6 | 179.0° | 66.5° |
| C25 | C03 | C04 | H7 | 59.0° | 173.6° |
| C03 | C25 | H8 | H9 | 120.0° | 120.0° |
| C03 | C25 | H8 | H10 | 120.0° | 120.0° |
| C03 | C25 | H9 | H10 | 120.0° | 120.0° |
| C25 | C03 | C05 | H11 | 171.5° | 65.7° |
| O22 | C10 | C09 | N11 | 179.8° | 180.0° |
| O22 | C10 | N11 | C12 | 4.6° | 0.0° |
| O22 | C10 | C09 | H16 | 153.2° | 120.0° |
| O22 | C10 | C09 | H17 | 32.9° | 120.0° |
| O22 | C10 | N11 | H18 | 175.4° | 180.0° |
| C09 | C10 | N11 | C12 | 175.2° | 180.0° |
| C10 | C09 | C08 | H14 | 49.5° | 60.0° |
| C10 | C09 | C08 | H15 | 69.6° | 60.0° |
| C10 | C09 | H16 | H17 | 120.3° | 120.0° |
| C09 | C10 | N11 | H18 | 4.8° | 0.0° |
| C10 | N11 | C12 | H18 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 148.4° | 180.0° |
| N11 | C10 | C09 | H16 | 27.1° | 60.0° |
| N11 | C10 | C09 | H17 | 147.3° | 60.0° |
| C10 | N11 | C12 | H19 | 27.6° | 60.0° |
| C10 | N11 | C12 | H20 | 90.9° | 60.0° |
| N11 | C12 | C13 | H19 | 120.8° | 120.0° |
| N11 | C12 | C13 | H20 | 120.7° | 120.0° |
| N11 | C12 | C13 | C14 | 157.3° | 90.2° |
| N11 | C12 | C13 | C21 | 26.7° | 90.0° |
| N11 | C12 | H19 | H20 | 117.6° | 120.0° |
| C12 | C13 | C14 | C21 | 176.3° | 179.8° |
| C12 | C13 | C14 | C15 | 178.5° | 179.8° |
| C12 | C13 | C21 | C17 | 178.0° | 180.0° |
| C13 | C12 | N11 | H18 | 31.6° | 0.0° |
| C13 | C12 | H19 | H20 | 117.6° | 120.0° |
| C12 | C13 | C21 | H21 | 2.0° | 0.0° |
| C12 | C13 | C14 | H25 | 1.5° | 0.0° |
| C13 | C14 | C15 | H25 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 1.6° | 0.5° |
| C14 | C13 | C21 | C17 | 2.0° | 0.2° |
| C14 | C13 | C12 | H19 | 82.0° | 149.8° |
| C14 | C13 | C12 | H20 | 36.5° | 29.7° |
| C14 | C13 | C21 | H21 | 178.0° | 179.8° |
| C13 | C14 | C15 | H24 | 178.4° | 179.8° |
| C15 | C14 | C13 | C21 | 2.2° | 0.5° |
| C14 | C15 | C16 | H24 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.9° | 0.3° |
| C14 | C15 | C16 | O20 | 179.1° | 179.8° |
| C13 | C21 | C17 | H21 | 180.0° | 180.0° |
| C13 | C21 | C17 | C16 | 1.4° | 0.0° |
| C13 | C21 | C17 | O18 | 179.2° | 180.0° |
| C21 | C13 | C12 | H19 | 94.0° | 30.0° |
| C21 | C13 | C12 | H20 | 147.5° | 150.0° |
| C21 | C13 | C14 | H25 | 177.8° | 179.7° |
| C15 | C16 | C17 | C21 | 0.8° | 0.0° |
| C15 | C16 | C17 | O20 | 180.0° | 180.0° |
| C15 | C16 | C17 | O18 | 179.7° | 180.0° |
| C15 | C16 | O20 | C19 | 174.8° | 162.7° |
| C16 | C15 | C14 | H25 | 178.4° | 179.7° |
| C21 | C17 | C16 | O18 | 179.6° | 180.0° |
| C21 | C17 | C16 | O20 | 179.3° | 180.0° |
| C21 | C17 | O18 | C19 | 175.6° | 162.8° |
| C17 | C16 | O20 | C19 | 5.2° | 17.3° |
| C16 | C17 | O18 | C19 | 4.9° | 17.3° |
| C16 | C17 | C21 | H21 | 178.7° | 180.0° |
| C17 | C16 | C15 | H24 | 179.1° | 180.0° |
| O20 | C16 | C17 | O18 | 0.3° | 0.0° |
| C16 | O20 | C19 | O18 | 8.1° | 27.1° |
| C16 | O20 | C19 | H22 | 127.7° | 91.4° |
| C16 | O20 | C19 | H23 | 111.6° | 145.7° |
| O20 | C16 | C15 | H24 | 0.9° | 0.0° |
| C17 | O18 | C19 | O20 | 7.9° | 27.1° |
| O18 | C17 | C21 | H21 | 0.8° | 0.1° |
| C17 | O18 | C19 | H22 | 127.6° | 91.5° |
| C17 | O18 | C19 | H23 | 111.8° | 145.8° |
| O20 | C19 | O18 | H22 | 119.7° | 118.6° |
| O20 | C19 | O18 | H23 | 119.7° | 118.7° |
| O20 | C19 | H22 | H23 | 121.0° | 123.0° |
| O18 | C19 | H22 | H23 | 120.9° | 122.7° |
| H5 | C04 | H6 | H7 | 120.0° | 120.0° |
| H8 | C25 | H9 | H10 | 120.0° | 120.0° |
| H11 | C05 | O24 | H12 | 62.2° | 180.0° |
| H13 | N07 | C08 | H14 | 138.5° | 119.9° |
| H13 | N07 | C08 | H15 | 19.4° | 120.0° |
| H14 | C08 | C09 | H16 | 169.4° | 180.0° |
| H14 | C08 | C09 | H17 | 70.4° | 60.0° |
| H15 | C08 | C09 | H16 | 50.3° | 60.0° |
| H15 | C08 | C09 | H17 | 170.5° | 180.0° |
| H18 | N11 | C12 | H19 | 152.4° | 120.0° |
| H18 | N11 | C12 | H20 | 89.1° | 120.0° |
| H24 | C15 | C14 | H25 | 1.6° | 0.0° |
