X0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | P09 | doub | 1.48Å | 1.51Å | |
| O10 | P09 | sing | 1.61Å | 1.51Å | |
| O12 | P09 | sing | 1.61Å | 1.51Å | |
| P09 | O08 | sing | 1.61Å | 1.65Å | |
| O08 | P05 | sing | 1.61Å | 1.65Å | |
| O02 | P01 | doub | 1.48Å | 1.51Å | |
| O03 | P01 | sing | 1.61Å | 1.51Å | |
| O07 | P05 | doub | 1.48Å | 1.51Å | |
| O04 | P01 | sing | 1.61Å | 1.65Å | |
| O04 | P05 | sing | 1.61Å | 1.65Å | |
| P01 | O13 | sing | 1.61Å | 1.65Å | |
| P05 | O06 | sing | 1.61Å | 1.51Å | |
| O13 | C14 | sing | 1.43Å | 1.40Å | |
| C14 | C15 | sing | 1.53Å | 1.39Å | |
| C15 | O28 | sing | 1.44Å | 1.51Å | |
| C15 | C16 | sing | 1.55Å | 1.59Å | |
| O28 | C18 | sing | 1.44Å | 1.28Å | |
| C24 | N23 | sing | 1.46Å | 1.45Å | |
| C25 | N23 | sing | 1.36Å | 1.30Å | |
| C25 | C19 | doub | 1.35Å | 1.49Å | |
| C16 | O30 | sing | 1.43Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.24Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.54Å | 1.67Å | |
| N23 | C22 | sing | 1.35Å | 1.63Å | |
| C19 | C20 | sing | 1.41Å | 1.61Å | |
| C17 | O29 | sing | 1.43Å | 1.48Å | |
| C22 | O26 | doub | 1.22Å | 1.18Å | |
| C22 | N21 | sing | 1.33Å | 1.29Å | |
| C20 | N21 | doub | 1.33Å | 1.46Å | |
| C20 | N27 | sing | 1.38Å | 1.45Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| N27 | H11 | sing | 0.97Å | 1.00Å | |
| N27 | H12 | sing | 0.97Å | 1.00Å | |
| O03 | H13 | sing | 0.97Å | 0.95Å | |
| O06 | H14 | sing | 0.97Å | 0.95Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O29 | H17 | sing | 0.97Å | 0.95Å | |
| O30 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | P09 | O10 | 109.6° | 109.5° |
| O11 | P09 | O12 | 109.2° | 109.4° |
| O11 | P09 | O08 | 109.8° | 109.5° |
| O10 | P09 | O12 | 109.4° | 109.5° |
| O10 | P09 | O08 | 109.7° | 109.5° |
| P09 | O10 | H15 | 109.5° | 114.0° |
| O12 | P09 | O08 | 109.1° | 109.5° |
| P09 | O12 | H16 | 109.5° | 114.0° |
| P09 | O08 | P05 | 124.3° | 134.0° |
| O08 | P05 | O07 | 109.4° | 109.5° |
| O08 | P05 | O04 | 109.6° | 109.5° |
| O08 | P05 | O06 | 109.1° | 109.4° |
| O02 | P01 | O03 | 109.2° | 109.5° |
| O02 | P01 | O04 | 109.0° | 109.5° |
| O02 | P01 | O13 | 108.9° | 109.4° |
| O03 | P01 | O04 | 109.7° | 109.5° |
| O03 | P01 | O13 | 109.9° | 109.5° |
| P01 | O03 | H13 | 109.5° | 114.0° |
| O07 | P05 | O04 | 110.1° | 109.5° |
| O07 | P05 | O06 | 109.3° | 109.5° |
| P01 | O04 | P05 | 124.8° | 134.0° |
| O04 | P01 | O13 | 110.1° | 109.5° |
| O04 | P05 | O06 | 109.5° | 109.5° |
| P01 | O13 | C14 | 119.3° | 123.0° |
| P05 | O06 | H14 | 109.5° | 114.1° |
| O13 | C14 | C15 | 109.7° | 109.5° |
| O13 | C14 | H1 | 109.4° | 109.4° |
| O13 | C14 | H2 | 109.4° | 109.5° |
| C14 | C15 | O28 | 110.4° | 110.6° |
| C14 | C15 | C16 | 110.4° | 110.6° |
| C15 | C14 | H1 | 109.4° | 109.4° |
| C15 | C14 | H2 | 109.4° | 109.5° |
| C14 | C15 | H3 | 112.0° | 110.6° |
| O28 | C15 | C16 | 104.5° | 103.5° |
| C15 | O28 | C18 | 106.1° | 107.0° |
| O28 | C15 | H3 | 110.1° | 110.6° |
| C15 | C16 | O30 | 110.1° | 110.9° |
| C15 | C16 | C17 | 106.1° | 102.1° |
| C16 | C15 | H3 | 109.1° | 110.8° |
| C15 | C16 | H4 | 108.1° | 110.9° |
| O28 | C18 | C19 | 109.1° | 109.9° |
| O28 | C18 | C17 | 108.3° | 107.3° |
| O28 | C18 | H6 | 113.2° | 109.9° |
| C24 | N23 | C25 | 114.4° | 119.9° |
| C24 | N23 | C22 | 122.1° | 119.8° |
| N23 | C24 | H7 | 109.5° | 109.5° |
| N23 | C24 | H8 | 109.5° | 109.5° |
| N23 | C24 | H9 | 109.5° | 109.5° |
| N23 | C25 | C19 | 116.4° | 119.3° |
| C25 | N23 | C22 | 123.5° | 120.4° |
| N23 | C25 | H10 | 121.8° | 120.3° |
| C25 | C19 | C18 | 120.1° | 120.5° |
| C25 | C19 | C20 | 119.3° | 119.0° |
| C19 | C25 | H10 | 121.8° | 120.4° |
| O30 | C16 | C17 | 110.1° | 110.8° |
| O30 | C16 | H4 | 109.0° | 110.8° |
| C16 | O30 | H18 | 109.5° | 114.0° |
| C16 | C17 | C18 | 108.2° | 104.2° |
| C16 | C17 | O29 | 110.1° | 110.5° |
| C17 | C16 | H4 | 113.5° | 110.9° |
| C16 | C17 | H5 | 112.9° | 110.5° |
| C19 | C18 | C17 | 109.2° | 109.9° |
| C18 | C19 | C20 | 120.7° | 120.5° |
| C19 | C18 | H6 | 109.4° | 109.9° |
| C18 | C17 | O29 | 110.0° | 110.5° |
| C18 | C17 | H5 | 106.8° | 110.5° |
| C17 | C18 | H6 | 107.5° | 109.9° |
| N23 | C22 | O26 | 122.2° | 119.5° |
| N23 | C22 | N21 | 123.6° | 121.0° |
| C19 | C20 | N21 | 119.4° | 119.7° |
| C19 | C20 | N27 | 120.5° | 120.2° |
| O29 | C17 | H5 | 108.9° | 110.5° |
| C17 | O29 | H17 | 109.5° | 113.9° |
| O26 | C22 | N21 | 114.2° | 119.4° |
| C22 | N21 | C20 | 117.9° | 120.7° |
| N21 | C20 | N27 | 120.1° | 120.1° |
| C20 | N27 | H11 | 120.0° | 120.0° |
| C20 | N27 | H12 | 120.0° | 120.0° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H9 | 109.5° | 109.4° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H11 | N27 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | P09 | O10 | O12 | 119.7° | 119.9° |
| O11 | P09 | O10 | O08 | 120.6° | 120.0° |
| O11 | P09 | O12 | O08 | 120.0° | 120.0° |
| O11 | P09 | O08 | P05 | 97.7° | 45.0° |
| O11 | P09 | O10 | H15 | 0.0° | 180.0° |
| O11 | P09 | O12 | H16 | 0.0° | 60.0° |
| O10 | P09 | O12 | O08 | 120.0° | 120.0° |
| O10 | P09 | O08 | P05 | 22.8° | 75.0° |
| O10 | P09 | O12 | H16 | 120.0° | 59.9° |
| O12 | P09 | O08 | P05 | 142.6° | 165.0° |
| O12 | P09 | O10 | H15 | 119.7° | 60.0° |
| P09 | O08 | P05 | O07 | 55.1° | 45.0° |
| P09 | O08 | P05 | O04 | 65.7° | 165.0° |
| P09 | O08 | P05 | O06 | 174.5° | 75.0° |
| O08 | P09 | O10 | H15 | 120.6° | 60.0° |
| O08 | P09 | O12 | H16 | 120.0° | 180.0° |
| O08 | P05 | O07 | O04 | 120.4° | 120.0° |
| O08 | P05 | O07 | O06 | 119.4° | 120.0° |
| O08 | P05 | O04 | P01 | 151.3° | 160.0° |
| O08 | P05 | O04 | O06 | 119.6° | 119.9° |
| O08 | P05 | O06 | H14 | 119.6° | 60.0° |
| O02 | P01 | O03 | O04 | 119.4° | 120.0° |
| O02 | P01 | O03 | O13 | 119.4° | 119.9° |
| O02 | P01 | O04 | O13 | 119.4° | 119.9° |
| O02 | P01 | O04 | P05 | 161.1° | 45.0° |
| O02 | P01 | O13 | C14 | 175.9° | 55.0° |
| O02 | P01 | O03 | H13 | 0.0° | 180.0° |
| O03 | P01 | O04 | O13 | 121.1° | 120.0° |
| O03 | P01 | O04 | P05 | 41.6° | 75.0° |
| O03 | P01 | O13 | C14 | 56.4° | 64.9° |
| O07 | P05 | O04 | P01 | 31.0° | 40.0° |
| O07 | P05 | O04 | O06 | 120.1° | 120.0° |
| O07 | P05 | O06 | H14 | 0.0° | 179.9° |
| P01 | O04 | P05 | O06 | 89.1° | 80.0° |
| O04 | P01 | O13 | C14 | 64.5° | 175.0° |
| O04 | P01 | O03 | H13 | 119.4° | 59.9° |
| P05 | O04 | P01 | O13 | 79.4° | 165.0° |
| O04 | P05 | O06 | H14 | 120.5° | 59.9° |
| P01 | O13 | C14 | C15 | 139.9° | 180.0° |
| P01 | O13 | C14 | H1 | 100.1° | 60.1° |
| P01 | O13 | C14 | H2 | 19.8° | 59.9° |
| O13 | P01 | O03 | H13 | 119.4° | 60.1° |
| O13 | C14 | C15 | H1 | 120.0° | 120.0° |
| O13 | C14 | C15 | H2 | 120.0° | 120.1° |
| O13 | C14 | C15 | O28 | 30.4° | 66.5° |
| O13 | C14 | C15 | C16 | 145.4° | 179.5° |
| O13 | C14 | H1 | H2 | 119.9° | 120.0° |
| O13 | C14 | C15 | H3 | 92.8° | 56.4° |
| C14 | C15 | O28 | C16 | 118.7° | 118.5° |
| C14 | C15 | O28 | H3 | 124.2° | 122.8° |
| C14 | C15 | C16 | H3 | 123.5° | 123.0° |
| C14 | C15 | O28 | C18 | 144.1° | 158.5° |
| C14 | C15 | C16 | O30 | 97.3° | 86.4° |
| C14 | C15 | C16 | C17 | 143.7° | 155.5° |
| C15 | C14 | H1 | H2 | 119.9° | 120.0° |
| C14 | C15 | C16 | H4 | 21.7° | 37.3° |
| O28 | C15 | C16 | H3 | 117.8° | 118.6° |
| O28 | C15 | C16 | O30 | 144.0° | 155.2° |
| O28 | C15 | C16 | C17 | 25.0° | 37.1° |
| C15 | O28 | C18 | C19 | 135.9° | 145.9° |
| C15 | O28 | C18 | C17 | 17.2° | 26.5° |
| O28 | C15 | C14 | H1 | 89.6° | 173.6° |
| O28 | C15 | C14 | H2 | 150.4° | 53.6° |
| O28 | C15 | C16 | H4 | 97.0° | 81.2° |
| C15 | O28 | C18 | H6 | 102.0° | 93.0° |
| C16 | C15 | O28 | C18 | 25.5° | 40.1° |
| C15 | C16 | O30 | C17 | 116.5° | 112.7° |
| C15 | C16 | O30 | H4 | 118.4° | 123.7° |
| C15 | C16 | C17 | H4 | 118.5° | 118.2° |
| C15 | C16 | C17 | C18 | 14.7° | 20.9° |
| C15 | C16 | C17 | O29 | 105.4° | 97.7° |
| C16 | C15 | C14 | H1 | 25.4° | 59.5° |
| C16 | C15 | C14 | H2 | 94.5° | 60.5° |
| C15 | C16 | C17 | H5 | 132.6° | 139.7° |
| C15 | C16 | O30 | H18 | 180.0° | 180.0° |
| O28 | C18 | C19 | C25 | 4.4° | 127.4° |
| O28 | C18 | C17 | C16 | 1.1° | 2.0° |
| O28 | C18 | C19 | C17 | 118.2° | 117.9° |
| O28 | C18 | C19 | H6 | 124.3° | 121.1° |
| O28 | C18 | C17 | H6 | 122.7° | 119.5° |
| O28 | C18 | C19 | C20 | 175.8° | 52.8° |
| O28 | C18 | C17 | O29 | 121.3° | 120.7° |
| C18 | O28 | C15 | H3 | 91.6° | 78.7° |
| O28 | C18 | C17 | H5 | 120.6° | 116.7° |
| C24 | N23 | C25 | C22 | 179.7° | 180.0° |
| C24 | N23 | C25 | C19 | 180.0° | 180.0° |
| C24 | N23 | C22 | O26 | 0.3° | 0.0° |
| C24 | N23 | C22 | N21 | 180.0° | 179.8° |
| N23 | C24 | H7 | H8 | 120.0° | 120.1° |
| N23 | C24 | H7 | H9 | 120.0° | 120.0° |
| N23 | C24 | H8 | H9 | 120.0° | 120.0° |
| C24 | N23 | C25 | H10 | 0.0° | 0.0° |
| N23 | C25 | C19 | H10 | 180.0° | 180.0° |
| N23 | C25 | C19 | C18 | 179.9° | 180.0° |
| N23 | C25 | C19 | C20 | 0.1° | 0.3° |
| C25 | N23 | C22 | O26 | 180.0° | 180.0° |
| C25 | N23 | C22 | N21 | 0.3° | 0.2° |
| C25 | N23 | C24 | H7 | 180.0° | 90.0° |
| C25 | N23 | C24 | H8 | 60.0° | 150.0° |
| C25 | N23 | C24 | H9 | 60.0° | 30.0° |
| C25 | C19 | C18 | C20 | 179.8° | 179.7° |
| C25 | C19 | C18 | C17 | 113.8° | 114.7° |
| C19 | C25 | N23 | C22 | 0.3° | 0.0° |
| C25 | C19 | C20 | N21 | 0.0° | 0.2° |
| C25 | C19 | C20 | N27 | 179.9° | 179.7° |
| C25 | C19 | C18 | H6 | 128.8° | 6.3° |
| O30 | C16 | C17 | H4 | 122.5° | 123.6° |
| O30 | C16 | C17 | C18 | 133.8° | 139.1° |
| O30 | C16 | C17 | O29 | 13.6° | 20.5° |
| O30 | C16 | C15 | H3 | 26.3° | 36.6° |
| O30 | C16 | C17 | H5 | 108.4° | 102.1° |
| C16 | C17 | C18 | C19 | 119.9° | 121.5° |
| C16 | C17 | C18 | O29 | 120.2° | 118.7° |
| C16 | C17 | C18 | H5 | 121.7° | 118.7° |
| C16 | C17 | O29 | H5 | 124.3° | 122.6° |
| C17 | C16 | C15 | H3 | 92.8° | 81.5° |
| C16 | C17 | C18 | H6 | 121.6° | 117.5° |
| C16 | C17 | O29 | H17 | 180.0° | 61.5° |
| C17 | C16 | O30 | H18 | 63.5° | 67.3° |
| C19 | C18 | C17 | H6 | 118.6° | 121.0° |
| C19 | C18 | C17 | O29 | 119.9° | 119.9° |
| C18 | C19 | C20 | N21 | 179.8° | 180.0° |
| C18 | C19 | C20 | N27 | 0.1° | 0.0° |
| C19 | C18 | C17 | H5 | 1.9° | 2.7° |
| C18 | C19 | C25 | H10 | 0.1° | 0.0° |
| C17 | C18 | C19 | C20 | 65.9° | 65.0° |
| C18 | C17 | O29 | H5 | 116.7° | 122.6° |
| C18 | C17 | C16 | H4 | 103.8° | 97.3° |
| C18 | C17 | O29 | H17 | 60.9° | 176.2° |
| N23 | C22 | O26 | N21 | 179.7° | 179.8° |
| N23 | C22 | N21 | C20 | 0.2° | 0.2° |
| C22 | N23 | C24 | H7 | 0.3° | 90.1° |
| C22 | N23 | C24 | H8 | 120.3° | 30.0° |
| C22 | N23 | C24 | H9 | 119.7° | 150.0° |
| C22 | N23 | C25 | H10 | 179.7° | 180.0° |
| C19 | C20 | N21 | C22 | 0.1° | 0.0° |
| C19 | C20 | N21 | N27 | 179.9° | 180.0° |
| C20 | C19 | C18 | H6 | 51.5° | 173.9° |
| C20 | C19 | C25 | H10 | 179.8° | 179.8° |
| C19 | C20 | N27 | H11 | 179.9° | 0.1° |
| C19 | C20 | N27 | H12 | 0.1° | 180.0° |
| O29 | C17 | C16 | H4 | 136.1° | 144.0° |
| O29 | C17 | C18 | H6 | 1.3° | 1.2° |
| O26 | C22 | N21 | C20 | 179.9° | 180.0° |
| C22 | N21 | C20 | N27 | 179.8° | 180.0° |
| N21 | C20 | N27 | H11 | 0.0° | 180.0° |
| N21 | C20 | N27 | H12 | 180.0° | 0.0° |
| C20 | N27 | H11 | H12 | 180.0° | 179.9° |
| H1 | C14 | C15 | H3 | 147.2° | 63.6° |
| H2 | C14 | C15 | H3 | 27.3° | 176.4° |
| H3 | C15 | C16 | H4 | 145.2° | 160.2° |
| H4 | C16 | C17 | H5 | 14.1° | 21.4° |
| H4 | C16 | O30 | H18 | 61.6° | 56.3° |
| H5 | C17 | C18 | H6 | 116.7° | 123.8° |
| H5 | C17 | O29 | H17 | 55.7° | 61.1° |
| H7 | C24 | H8 | H9 | 120.0° | 119.9° |






