X0F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | O13 | sing | 1.43Å | 1.40Å | |
| C15 | C16 | sing | 1.55Å | 1.57Å | |
| C15 | O30 | sing | 1.44Å | 1.30Å | |
| C16 | C17 | sing | 1.55Å | 1.57Å | |
| C16 | O32 | sing | 1.43Å | 1.32Å | |
| C17 | C18 | sing | 1.54Å | 1.29Å | |
| C17 | O31 | sing | 1.43Å | 1.48Å | |
| C18 | N19 | sing | 1.47Å | 1.43Å | |
| C20 | N19 | sing | 1.37Å | 1.35Å | |
| C20 | N21 | doub | 1.30Å | 1.35Å | |
| C22 | C23 | doub | 1.40Å | 1.55Å | |
| C22 | C29 | sing | 1.41Å | 1.36Å | |
| C22 | N21 | sing | 1.36Å | 1.34Å | |
| C23 | N24 | sing | 1.37Å | 1.45Å | |
| C23 | N25 | sing | 1.36Å | 1.43Å | |
| C26 | N25 | sing | 1.35Å | 1.44Å | |
| C26 | N28 | sing | 1.33Å | 1.46Å | |
| C26 | O27 | doub | 1.22Å | 1.18Å | |
| C29 | N19 | sing | 1.37Å | 1.35Å | |
| C29 | N28 | doub | 1.33Å | 1.51Å | |
| O02 | P01 | doub | 1.48Å | 1.50Å | |
| O03 | P01 | sing | 1.61Å | 1.51Å | |
| O04 | P01 | sing | 1.61Å | 1.65Å | |
| O04 | P05 | sing | 1.61Å | 1.65Å | |
| O06 | P05 | doub | 1.48Å | 1.51Å | |
| O07 | P05 | sing | 1.61Å | 1.51Å | |
| O08 | P05 | sing | 1.61Å | 1.65Å | |
| O08 | P09 | sing | 1.61Å | 1.65Å | |
| O10 | P09 | doub | 1.48Å | 1.51Å | |
| O11 | P09 | sing | 1.61Å | 1.51Å | |
| O12 | P09 | sing | 1.61Å | 1.51Å | |
| O13 | P01 | sing | 1.61Å | 1.65Å | |
| 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 | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| N24 | H9 | sing | 0.97Å | 1.00Å | |
| N24 | H10 | sing | 0.97Å | 1.00Å | |
| O03 | H12 | sing | 0.97Å | 0.95Å | |
| O07 | H13 | sing | 0.97Å | 0.95Å | |
| O11 | H14 | sing | 0.97Å | 0.95Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O31 | H17 | sing | 0.97Å | 0.95Å | |
| O32 | H18 | sing | 0.97Å | 0.95Å | |
| O30 | C18 | sing | 1.44Å | 1.68Å | |
| N25 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | O13 | 110.6° | 109.5° |
| C14 | C15 | C16 | 109.1° | 110.4° |
| C14 | C15 | O30 | 111.0° | 110.4° |
| C15 | C14 | H1 | 109.2° | 109.5° |
| C15 | C14 | H2 | 109.2° | 109.5° |
| C14 | C15 | H3 | 109.3° | 110.3° |
| C14 | O13 | P01 | 119.1° | 123.0° |
| O13 | C14 | H1 | 109.2° | 109.5° |
| O13 | C14 | H2 | 109.2° | 109.5° |
| C16 | C15 | O30 | 105.6° | 104.8° |
| C15 | C16 | C17 | 103.5° | 104.1° |
| C15 | C16 | O32 | 110.2° | 110.5° |
| C16 | C15 | H3 | 108.9° | 110.4° |
| C15 | C16 | H4 | 109.4° | 110.5° |
| O30 | C15 | H3 | 113.0° | 110.5° |
| C15 | O30 | C18 | 107.9° | 105.3° |
| C17 | C16 | O32 | 110.6° | 110.5° |
| C16 | C17 | C18 | 104.8° | 104.1° |
| C16 | C17 | O31 | 109.7° | 110.5° |
| C17 | C16 | H4 | 109.4° | 110.5° |
| C16 | C17 | H5 | 108.7° | 110.5° |
| O32 | C16 | H4 | 113.3° | 110.6° |
| C16 | O32 | H18 | 109.5° | 114.0° |
| C18 | C17 | O31 | 110.5° | 110.5° |
| C17 | C18 | N19 | 111.1° | 110.4° |
| C18 | C17 | H5 | 113.1° | 110.5° |
| C17 | C18 | H6 | 112.2° | 110.4° |
| C17 | C18 | O30 | 107.3° | 104.8° |
| O31 | C17 | H5 | 109.9° | 110.6° |
| C17 | O31 | H17 | 109.5° | 114.0° |
| C18 | N19 | C20 | 125.0° | 126.2° |
| C18 | N19 | C29 | 127.3° | 126.2° |
| N19 | C18 | H6 | 109.9° | 110.3° |
| N19 | C18 | O30 | 109.3° | 110.4° |
| N19 | C20 | N21 | 108.3° | 110.1° |
| C20 | N19 | C29 | 107.7° | 107.5° |
| N19 | C20 | H8 | 125.9° | 125.0° |
| C20 | N21 | C22 | 108.0° | 109.3° |
| N21 | C20 | H8 | 125.8° | 125.0° |
| C23 | C22 | C29 | 120.2° | 118.6° |
| C23 | C22 | N21 | 131.8° | 134.3° |
| C22 | C23 | N24 | 120.2° | 120.7° |
| C22 | C23 | N25 | 120.2° | 118.5° |
| C29 | C22 | N21 | 108.0° | 107.1° |
| C22 | C29 | N19 | 107.9° | 106.0° |
| C22 | C29 | N28 | 119.6° | 119.7° |
| N24 | C23 | N25 | 119.7° | 120.8° |
| C23 | N24 | H9 | 109.5° | 120.0° |
| C23 | N24 | H10 | 109.5° | 120.0° |
| C23 | N25 | C26 | 119.5° | 120.4° |
| C23 | N25 | H7 | 120.2° | 119.8° |
| N25 | C26 | N28 | 120.2° | 121.9° |
| N25 | C26 | O27 | 119.7° | 119.1° |
| C26 | N25 | H7 | 120.3° | 119.8° |
| N28 | C26 | O27 | 120.2° | 119.1° |
| C26 | N28 | C29 | 120.4° | 120.9° |
| N19 | C29 | N28 | 132.6° | 134.3° |
| O02 | P01 | O03 | 109.2° | 109.5° |
| O02 | P01 | O04 | 108.7° | 109.5° |
| O02 | P01 | O13 | 108.1° | 109.5° |
| O03 | P01 | O04 | 109.9° | 109.5° |
| O03 | P01 | O13 | 109.6° | 109.5° |
| P01 | O03 | H12 | 109.5° | 114.0° |
| P01 | O04 | P05 | 124.8° | 134.0° |
| O04 | P01 | O13 | 111.2° | 109.5° |
| O04 | P05 | O06 | 109.3° | 109.5° |
| O04 | P05 | O07 | 109.1° | 109.5° |
| O04 | P05 | O08 | 110.1° | 109.5° |
| O06 | P05 | O07 | 109.2° | 109.4° |
| O06 | P05 | O08 | 109.2° | 109.5° |
| O07 | P05 | O08 | 109.9° | 109.5° |
| P05 | O07 | H13 | 109.5° | 113.9° |
| P05 | O08 | P09 | 124.6° | 134.0° |
| O08 | P09 | O10 | 109.5° | 109.4° |
| O08 | P09 | O11 | 110.0° | 109.5° |
| O08 | P09 | O12 | 109.4° | 109.5° |
| O10 | P09 | O11 | 109.3° | 109.4° |
| O10 | P09 | O12 | 109.1° | 109.5° |
| O11 | P09 | O12 | 109.6° | 109.5° |
| P09 | O11 | H14 | 109.5° | 114.0° |
| P09 | O12 | H15 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H6 | C18 | O30 | 106.9° | 110.4° |
| H9 | N24 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | O13 | H1 | 120.2° | 120.0° |
| C15 | C14 | O13 | H2 | 120.2° | 120.0° |
| C14 | C15 | C16 | O30 | 119.3° | 118.8° |
| C14 | C15 | C16 | H3 | 119.1° | 122.2° |
| C14 | C15 | O30 | H3 | 123.1° | 122.3° |
| C14 | C15 | C16 | C17 | 147.9° | 142.8° |
| C14 | C15 | C16 | O32 | 93.8° | 98.5° |
| C15 | C14 | O13 | P01 | 103.0° | 180.0° |
| C15 | C14 | H1 | H2 | 119.5° | 120.0° |
| C14 | C15 | C16 | H4 | 31.4° | 24.1° |
| C14 | C15 | O30 | C18 | 132.4° | 159.4° |
| O13 | C14 | C15 | C16 | 138.4° | 175.0° |
| O13 | C14 | C15 | O30 | 22.5° | 69.6° |
| C14 | O13 | P01 | O02 | 98.8° | 55.0° |
| C14 | O13 | P01 | O03 | 142.2° | 65.0° |
| C14 | O13 | P01 | O04 | 20.5° | 175.0° |
| O13 | C14 | H1 | H2 | 119.5° | 120.0° |
| O13 | C14 | C15 | H3 | 102.7° | 52.7° |
| C16 | C15 | O30 | H3 | 118.9° | 118.9° |
| C15 | C16 | C17 | O32 | 118.0° | 118.6° |
| C15 | C16 | C17 | H4 | 116.5° | 118.7° |
| C15 | C16 | O32 | H4 | 123.0° | 122.7° |
| C15 | C16 | C17 | C18 | 33.5° | 0.0° |
| C15 | C16 | C17 | O31 | 85.2° | 118.6° |
| C16 | C15 | C14 | H1 | 101.4° | 55.0° |
| C16 | C15 | C14 | H2 | 18.3° | 64.9° |
| C15 | C16 | C17 | H5 | 154.7° | 118.7° |
| C15 | C16 | O32 | H18 | 180.0° | 180.0° |
| C16 | C15 | O30 | C18 | 14.4° | 40.5° |
| O30 | C15 | C16 | C17 | 28.6° | 24.0° |
| O30 | C15 | C16 | O32 | 146.8° | 142.6° |
| C15 | O30 | C18 | C17 | 7.2° | 40.5° |
| C15 | O30 | C18 | N19 | 113.4° | 159.4° |
| O30 | C15 | C14 | H1 | 142.7° | 170.3° |
| O30 | C15 | C14 | H2 | 97.7° | 50.4° |
| O30 | C15 | C16 | H4 | 87.9° | 94.7° |
| C15 | O30 | C18 | H6 | 127.7° | 78.4° |
| C17 | C16 | O32 | H4 | 123.2° | 122.7° |
| C16 | C17 | C18 | O31 | 118.1° | 118.6° |
| C16 | C17 | C18 | H5 | 118.3° | 118.7° |
| C16 | C17 | O31 | H5 | 119.5° | 122.7° |
| C16 | C17 | C18 | N19 | 94.7° | 142.8° |
| C17 | C16 | C15 | H3 | 93.0° | 94.9° |
| C16 | C17 | C18 | H6 | 141.8° | 95.0° |
| C16 | C17 | O31 | H17 | 180.0° | 61.4° |
| C17 | C16 | O32 | H18 | 66.2° | 65.4° |
| C16 | C17 | C18 | O30 | 24.8° | 24.0° |
| O32 | C16 | C17 | C18 | 151.5° | 118.6° |
| O32 | C16 | C17 | O31 | 32.9° | 0.0° |
| O32 | C16 | C15 | H3 | 25.3° | 23.7° |
| O32 | C16 | C17 | H5 | 87.3° | 122.7° |
| C18 | C17 | O31 | H5 | 125.4° | 122.7° |
| C17 | C18 | N19 | H6 | 124.8° | 122.3° |
| C17 | C18 | N19 | O30 | 118.3° | 115.4° |
| C17 | C18 | N19 | C20 | 125.8° | 64.9° |
| C17 | C18 | N19 | C29 | 54.4° | 115.0° |
| C18 | C17 | C16 | H4 | 83.1° | 118.7° |
| C17 | C18 | H6 | O30 | 117.4° | 115.5° |
| C18 | C17 | O31 | H17 | 64.9° | 176.0° |
| O31 | C17 | C18 | N19 | 147.2° | 98.6° |
| O31 | C17 | C16 | H4 | 158.3° | 122.7° |
| O31 | C17 | C18 | H6 | 23.7° | 23.7° |
| O31 | C17 | C18 | O30 | 93.4° | 142.6° |
| C18 | N19 | C20 | C29 | 179.8° | 179.9° |
| C18 | N19 | C20 | N21 | 180.0° | 179.9° |
| C18 | N19 | C29 | C22 | 179.9° | 179.9° |
| C18 | N19 | C29 | N28 | 0.1° | 0.1° |
| N19 | C18 | C17 | H5 | 23.6° | 24.2° |
| N19 | C18 | H6 | O30 | 118.5° | 122.3° |
| C18 | N19 | C20 | H8 | 0.0° | 0.3° |
| N19 | C20 | N21 | H8 | 180.0° | 179.7° |
| C20 | N19 | C29 | C22 | 0.1° | 0.0° |
| N19 | C20 | N21 | C22 | 0.1° | 0.0° |
| C20 | N19 | C29 | N28 | 179.9° | 180.0° |
| C20 | N19 | C18 | H6 | 109.4° | 172.7° |
| C20 | N19 | C18 | O30 | 7.6° | 50.4° |
| C20 | N21 | C22 | C23 | 179.9° | 180.0° |
| C20 | N21 | C22 | C29 | 0.0° | 0.0° |
| N21 | C20 | N19 | C29 | 0.1° | 0.0° |
| C23 | C22 | C29 | N21 | 180.0° | 180.0° |
| C22 | C23 | N24 | N25 | 179.9° | 180.0° |
| C22 | C23 | N25 | C26 | 0.0° | 0.0° |
| C23 | C22 | C29 | N19 | 180.0° | 180.0° |
| C23 | C22 | C29 | N28 | 0.0° | 0.0° |
| C22 | C23 | N24 | H9 | 180.0° | 0.0° |
| C22 | C23 | N24 | H10 | 60.0° | 180.0° |
| C22 | C23 | N25 | H7 | 180.0° | 180.0° |
| C29 | C22 | C23 | N24 | 180.0° | 180.0° |
| C29 | C22 | C23 | N25 | 0.1° | 0.0° |
| C22 | C29 | N28 | C26 | 0.1° | 0.0° |
| C22 | C29 | N19 | N28 | 180.0° | 180.0° |
| N21 | C22 | C23 | N24 | 0.1° | 0.0° |
| N21 | C22 | C23 | N25 | 180.0° | 180.0° |
| N21 | C22 | C29 | N19 | 0.0° | 0.0° |
| N21 | C22 | C29 | N28 | 180.0° | 180.0° |
| C22 | N21 | C20 | H8 | 179.9° | 179.7° |
| N24 | C23 | N25 | C26 | 179.9° | 180.0° |
| C23 | N24 | H9 | H10 | 120.0° | 180.0° |
| N24 | C23 | N25 | H7 | 0.1° | 0.0° |
| C23 | N25 | C26 | H7 | 180.0° | 180.0° |
| C23 | N25 | C26 | N28 | 0.1° | 0.0° |
| C23 | N25 | C26 | O27 | 179.9° | 179.9° |
| N25 | C23 | N24 | H9 | 0.1° | 180.0° |
| N25 | C23 | N24 | H10 | 120.1° | 0.0° |
| N25 | C26 | N28 | O27 | 179.9° | 179.9° |
| N25 | C26 | N28 | C29 | 0.1° | 0.0° |
| C26 | N28 | C29 | N19 | 179.9° | 180.0° |
| N28 | C26 | N25 | H7 | 179.9° | 180.0° |
| O27 | C26 | N28 | C29 | 180.0° | 179.9° |
| O27 | C26 | N25 | H7 | 0.1° | 0.1° |
| C29 | N19 | C18 | H6 | 70.4° | 7.4° |
| C29 | N19 | C20 | H8 | 179.9° | 179.7° |
| C29 | N19 | C18 | O30 | 172.6° | 129.7° |
| O02 | P01 | O03 | O04 | 119.2° | 120.0° |
| O02 | P01 | O03 | O13 | 118.3° | 120.0° |
| O02 | P01 | O04 | O13 | 118.9° | 120.0° |
| O02 | P01 | O04 | P05 | 178.3° | 40.0° |
| O02 | P01 | O03 | H12 | 0.0° | 180.0° |
| O03 | P01 | O04 | O13 | 121.6° | 120.0° |
| O03 | P01 | O04 | P05 | 58.8° | 80.0° |
| P01 | O04 | P05 | O06 | 125.2° | 40.0° |
| P01 | O04 | P05 | O07 | 5.9° | 80.0° |
| P01 | O04 | P05 | O08 | 114.8° | 160.0° |
| O04 | P01 | O03 | H12 | 119.2° | 60.0° |
| O04 | P05 | O06 | O07 | 119.3° | 120.0° |
| O04 | P05 | O06 | O08 | 120.5° | 120.0° |
| O04 | P05 | O07 | O08 | 120.8° | 120.0° |
| O04 | P05 | O08 | P09 | 61.1° | 165.0° |
| P05 | O04 | P01 | O13 | 62.8° | 160.0° |
| O04 | P05 | O07 | H13 | 119.4° | 60.0° |
| O06 | P05 | O07 | O08 | 119.8° | 120.0° |
| O06 | P05 | O08 | P09 | 178.9° | 45.0° |
| O06 | P05 | O07 | H13 | 0.0° | 180.0° |
| O07 | P05 | O08 | P09 | 59.1° | 75.0° |
| P05 | O08 | P09 | O10 | 147.7° | 40.0° |
| P05 | O08 | P09 | O11 | 27.7° | 80.0° |
| P05 | O08 | P09 | O12 | 92.8° | 160.0° |
| O08 | P05 | O07 | H13 | 119.8° | 60.0° |
| O08 | P09 | O10 | O11 | 120.5° | 120.0° |
| O08 | P09 | O10 | O12 | 119.7° | 120.0° |
| O08 | P09 | O11 | O12 | 120.3° | 120.0° |
| O08 | P09 | O11 | H14 | 120.2° | 60.0° |
| O08 | P09 | O12 | H15 | 119.8° | 180.0° |
| O10 | P09 | O11 | O12 | 119.5° | 120.0° |
| O10 | P09 | O11 | H14 | 0.0° | 180.0° |
| O10 | P09 | O12 | H15 | 0.0° | 60.0° |
| O11 | P09 | O12 | H15 | 119.6° | 60.0° |
| O12 | P09 | O11 | H14 | 119.5° | 60.0° |
| P01 | O13 | C14 | H1 | 17.2° | 60.0° |
| P01 | O13 | C14 | H2 | 136.9° | 60.0° |
| O13 | P01 | O03 | H12 | 118.3° | 60.0° |
| H1 | C14 | C15 | H3 | 17.5° | 67.3° |
| H2 | C14 | C15 | H3 | 137.1° | 172.8° |
| H3 | C15 | C16 | H4 | 150.5° | 146.4° |
| H3 | C15 | O30 | C18 | 104.5° | 78.4° |
| H4 | C16 | C17 | H5 | 38.1° | 0.0° |
| H4 | C16 | O32 | H18 | 57.0° | 57.3° |
| H5 | C17 | C18 | H6 | 99.9° | 146.4° |
| H5 | C17 | O31 | H17 | 60.5° | 61.3° |
| H5 | C17 | C18 | O30 | 143.0° | 94.7° |
