S9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| O13 | P01 | sing | 1.61Å | 1.67Å | |
| O25 | C24 | doub | 1.22Å | 1.17Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.58Å | |
| C15 | O31 | sing | 1.44Å | 1.31Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| C16 | O32 | sing | 1.43Å | 1.34Å | |
| C17 | C19 | sing | 1.54Å | 1.30Å | |
| C17 | O18 | sing | 1.43Å | 1.47Å | |
| C19 | N20 | sing | 1.46Å | 1.43Å | |
| C21 | C22 | doub | 1.34Å | 1.39Å | |
| C21 | N20 | sing | 1.38Å | 1.29Å | |
| C22 | N23 | sing | 1.36Å | 1.32Å | |
| C24 | N23 | sing | 1.35Å | 1.51Å | |
| C24 | N26 | sing | 1.34Å | 1.41Å | |
| C27 | N26 | doub | 1.32Å | 1.40Å | |
| C27 | N28 | sing | 1.37Å | 1.44Å | |
| C27 | N29 | sing | 1.36Å | 1.44Å | |
| C30 | N20 | sing | 1.36Å | 1.38Å | |
| C30 | N23 | doub | 1.33Å | 1.33Å | |
| C30 | N29 | sing | 1.37Å | 1.47Å | |
| O02 | P01 | doub | 1.48Å | 1.52Å | |
| O03 | P01 | sing | 1.61Å | 1.51Å | |
| O04 | P01 | sing | 1.61Å | 1.66Å | |
| O04 | P05 | sing | 1.61Å | 1.65Å | |
| O06 | P05 | doub | 1.48Å | 1.49Å | |
| O07 | P05 | sing | 1.61Å | 1.50Å | |
| O08 | P05 | sing | 1.61Å | 1.62Å | |
| O08 | P09 | sing | 1.61Å | 1.65Å | |
| O10 | P09 | doub | 1.48Å | 1.52Å | |
| O11 | P09 | sing | 1.61Å | 1.53Å | |
| O12 | P09 | sing | 1.61Å | 1.53Å | |
| 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 | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| N28 | H10 | sing | 0.97Å | 1.00Å | |
| N28 | H11 | sing | 0.97Å | 1.00Å | |
| N29 | H12 | sing | 0.97Å | 1.00Å | |
| O03 | H13 | sing | 0.97Å | 0.95Å | |
| O07 | H14 | sing | 0.97Å | 0.95Å | |
| O11 | H15 | sing | 0.97Å | 0.95Å | |
| O12 | H16 | sing | 0.97Å | 0.95Å | |
| O18 | H17 | sing | 0.97Å | 0.95Å | |
| O32 | H19 | sing | 0.97Å | 0.95Å | |
| C19 | O31 | sing | 1.44Å | 1.66Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O13 | P01 | 117.1° | 123.0° |
| O13 | C14 | C15 | 108.5° | 109.4° |
| O13 | C14 | H1 | 109.7° | 109.4° |
| O13 | C14 | H2 | 109.7° | 109.4° |
| O13 | P01 | O02 | 109.4° | 109.5° |
| O13 | P01 | O03 | 109.8° | 109.5° |
| O13 | P01 | O04 | 108.3° | 109.5° |
| O25 | C24 | N23 | 120.1° | 119.7° |
| O25 | C24 | N26 | 120.1° | 119.6° |
| C14 | C15 | C16 | 110.2° | 110.3° |
| C14 | C15 | O31 | 109.6° | 110.4° |
| C15 | C14 | H1 | 109.7° | 109.5° |
| C15 | C14 | H2 | 109.7° | 109.5° |
| C14 | C15 | H3 | 109.2° | 110.4° |
| C16 | C15 | O31 | 106.5° | 104.8° |
| C15 | C16 | C17 | 103.8° | 104.0° |
| C15 | C16 | O32 | 110.5° | 110.5° |
| C16 | C15 | H3 | 108.6° | 110.3° |
| C15 | C16 | H4 | 109.4° | 110.5° |
| O31 | C15 | H3 | 112.7° | 110.5° |
| C15 | O31 | C19 | 107.6° | 105.3° |
| C17 | C16 | O32 | 110.2° | 110.5° |
| C16 | C17 | C19 | 104.0° | 104.1° |
| C16 | C17 | O18 | 109.2° | 110.5° |
| C17 | C16 | H4 | 109.5° | 110.5° |
| C16 | C17 | H5 | 109.4° | 110.5° |
| O32 | C16 | H4 | 113.0° | 110.6° |
| C16 | O32 | H19 | 109.5° | 114.0° |
| C19 | C17 | O18 | 109.9° | 110.5° |
| C17 | C19 | N20 | 111.0° | 110.4° |
| C19 | C17 | H5 | 113.5° | 110.6° |
| C17 | C19 | H6 | 112.2° | 110.4° |
| C17 | C19 | O31 | 105.6° | 104.8° |
| O18 | C17 | H5 | 110.6° | 110.6° |
| C17 | O18 | H17 | 109.5° | 114.0° |
| C19 | N20 | C21 | 126.4° | 126.3° |
| C19 | N20 | C30 | 125.9° | 126.3° |
| N20 | C19 | H6 | 110.0° | 110.3° |
| N20 | C19 | O31 | 110.7° | 110.4° |
| C22 | C21 | N20 | 108.4° | 107.4° |
| C21 | C22 | N23 | 107.8° | 108.3° |
| C22 | C21 | H8 | 125.8° | 126.3° |
| C21 | C22 | H9 | 126.1° | 125.9° |
| C21 | N20 | C30 | 107.7° | 107.4° |
| N20 | C21 | H8 | 125.8° | 126.3° |
| C22 | N23 | C24 | 131.9° | 131.5° |
| C22 | N23 | C30 | 108.1° | 108.5° |
| N23 | C22 | H9 | 126.1° | 125.8° |
| N23 | C24 | N26 | 119.9° | 120.7° |
| C24 | N23 | C30 | 120.1° | 120.0° |
| C24 | N26 | C27 | 120.1° | 120.6° |
| N26 | C27 | N28 | 120.5° | 120.1° |
| N26 | C27 | N29 | 119.9° | 119.8° |
| N28 | C27 | N29 | 119.6° | 120.1° |
| C27 | N28 | H10 | 120.0° | 120.0° |
| C27 | N28 | H11 | 120.0° | 120.0° |
| C27 | N29 | C30 | 120.2° | 119.3° |
| C27 | N29 | H12 | 119.9° | 120.3° |
| N20 | C30 | N23 | 108.1° | 108.4° |
| N20 | C30 | N29 | 131.9° | 132.0° |
| N23 | C30 | N29 | 120.0° | 119.6° |
| C30 | N29 | H12 | 119.9° | 120.3° |
| O02 | P01 | O03 | 109.7° | 109.5° |
| O02 | P01 | O04 | 109.7° | 109.4° |
| O03 | P01 | O04 | 109.8° | 109.4° |
| P01 | O03 | H13 | 109.5° | 114.0° |
| P01 | O04 | P05 | 123.6° | 134.0° |
| O04 | P05 | O06 | 109.7° | 109.4° |
| O04 | P05 | O07 | 109.2° | 109.5° |
| O04 | P05 | O08 | 109.1° | 109.5° |
| O06 | P05 | O07 | 109.6° | 109.5° |
| O06 | P05 | O08 | 109.9° | 109.5° |
| O07 | P05 | O08 | 109.3° | 109.5° |
| P05 | O07 | H14 | 109.5° | 114.0° |
| P05 | O08 | P09 | 122.6° | 134.0° |
| O08 | P09 | O10 | 109.5° | 109.4° |
| O08 | P09 | O11 | 109.6° | 109.4° |
| O08 | P09 | O12 | 109.3° | 109.5° |
| O10 | P09 | O11 | 109.4° | 109.5° |
| O10 | P09 | O12 | 109.2° | 109.5° |
| O11 | P09 | O12 | 109.8° | 109.5° |
| P09 | O11 | H15 | 109.5° | 114.0° |
| P09 | O12 | H16 | 109.5° | 114.0° |
| H1 | C14 | H2 | 109.5° | 109.5° |
| H6 | C19 | O31 | 107.1° | 110.4° |
| H10 | N28 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C14 | C15 | H1 | 119.8° | 119.9° |
| O13 | C14 | C15 | H2 | 119.9° | 120.0° |
| O13 | C14 | C15 | C16 | 147.8° | 175.0° |
| O13 | C14 | C15 | O31 | 31.0° | 69.6° |
| C14 | O13 | P01 | O02 | 86.6° | 55.1° |
| C14 | O13 | P01 | O03 | 152.9° | 65.0° |
| C14 | O13 | P01 | O04 | 33.0° | 175.0° |
| O13 | C14 | H1 | H2 | 120.4° | 119.9° |
| O13 | C14 | C15 | H3 | 92.9° | 52.8° |
| P01 | O13 | C14 | C15 | 126.2° | 180.0° |
| O13 | P01 | O02 | O03 | 120.5° | 120.1° |
| O13 | P01 | O02 | O04 | 118.8° | 120.0° |
| O13 | P01 | O03 | O04 | 119.0° | 120.0° |
| O13 | P01 | O04 | P05 | 105.5° | 159.9° |
| P01 | O13 | C14 | H1 | 114.0° | 60.0° |
| P01 | O13 | C14 | H2 | 6.4° | 60.0° |
| O13 | P01 | O03 | H13 | 120.3° | 59.9° |
| O25 | C24 | N23 | C22 | 0.0° | 0.0° |
| O25 | C24 | N23 | N26 | 179.9° | 179.9° |
| O25 | C24 | N26 | C27 | 179.9° | 180.0° |
| O25 | C24 | N23 | C30 | 180.0° | 180.0° |
| C14 | C15 | C16 | O31 | 118.7° | 118.8° |
| C14 | C15 | C16 | H3 | 119.6° | 122.2° |
| C14 | C15 | O31 | H3 | 121.9° | 122.4° |
| C14 | C15 | C16 | C17 | 135.8° | 142.8° |
| C14 | C15 | C16 | O32 | 106.1° | 98.6° |
| C15 | C14 | H1 | H2 | 120.4° | 120.1° |
| C14 | C15 | C16 | H4 | 19.0° | 24.2° |
| C14 | C15 | O31 | C19 | 116.9° | 159.3° |
| C16 | C15 | O31 | H3 | 119.0° | 118.8° |
| C15 | C16 | C17 | O32 | 118.3° | 118.6° |
| C15 | C16 | C17 | H4 | 116.7° | 118.6° |
| C15 | C16 | O32 | H4 | 123.0° | 122.6° |
| C15 | C16 | C17 | C19 | 33.8° | 0.0° |
| C15 | C16 | C17 | O18 | 83.5° | 118.6° |
| C16 | C15 | C14 | H1 | 28.0° | 65.1° |
| C16 | C15 | C14 | H2 | 92.3° | 55.0° |
| C15 | C16 | C17 | H5 | 155.3° | 118.7° |
| C15 | C16 | O32 | H19 | 180.0° | 180.0° |
| C16 | C15 | O31 | C19 | 2.3° | 40.5° |
| O31 | C15 | C16 | C17 | 17.1° | 24.0° |
| O31 | C15 | C16 | O32 | 135.2° | 142.6° |
| C15 | O31 | C19 | C17 | 25.3° | 40.5° |
| C15 | O31 | C19 | N20 | 94.9° | 159.4° |
| O31 | C15 | C14 | H1 | 88.8° | 50.3° |
| O31 | C15 | C14 | H2 | 150.9° | 170.4° |
| O31 | C15 | C16 | H4 | 99.8° | 94.7° |
| C15 | O31 | C19 | H6 | 145.1° | 78.4° |
| C17 | C16 | O32 | H4 | 122.9° | 122.8° |
| C16 | C17 | C19 | O18 | 116.7° | 118.6° |
| C16 | C17 | C19 | H5 | 118.7° | 118.6° |
| C16 | C17 | O18 | H5 | 120.4° | 122.6° |
| C16 | C17 | C19 | N20 | 85.7° | 142.8° |
| C17 | C16 | C15 | H3 | 104.6° | 95.0° |
| C16 | C17 | C19 | H6 | 150.8° | 94.9° |
| C16 | C17 | O18 | H17 | 180.0° | 61.5° |
| C17 | C16 | O32 | H19 | 65.9° | 65.4° |
| C16 | C17 | C19 | O31 | 34.4° | 24.0° |
| O32 | C16 | C17 | C19 | 152.1° | 118.6° |
| O32 | C16 | C17 | O18 | 34.8° | 0.1° |
| O32 | C16 | C15 | H3 | 13.5° | 23.7° |
| O32 | C16 | C17 | H5 | 86.4° | 122.7° |
| C19 | C17 | O18 | H5 | 126.2° | 122.7° |
| C17 | C19 | N20 | H6 | 124.8° | 122.3° |
| C17 | C19 | N20 | O31 | 116.9° | 115.4° |
| C17 | C19 | N20 | C21 | 121.4° | 95.0° |
| C17 | C19 | N20 | C30 | 58.8° | 85.0° |
| C19 | C17 | C16 | H4 | 82.9° | 118.6° |
| C17 | C19 | H6 | O31 | 115.5° | 115.4° |
| C19 | C17 | O18 | H17 | 66.5° | 176.1° |
| O18 | C17 | C19 | N20 | 157.6° | 98.6° |
| O18 | C17 | C16 | H4 | 159.8° | 122.7° |
| O18 | C17 | C19 | H6 | 34.0° | 23.7° |
| O18 | C17 | C19 | O31 | 82.4° | 142.6° |
| C19 | N20 | C21 | C22 | 180.0° | 180.0° |
| C19 | N20 | C21 | C30 | 179.8° | 180.0° |
| C19 | N20 | C30 | N23 | 180.0° | 180.0° |
| C19 | N20 | C30 | N29 | 0.0° | 0.0° |
| N20 | C19 | C17 | H5 | 33.1° | 24.2° |
| N20 | C19 | H6 | O31 | 120.4° | 122.3° |
| C19 | N20 | C21 | H8 | 0.0° | 0.3° |
| C22 | C21 | N20 | H8 | 180.0° | 179.7° |
| C21 | C22 | N23 | H9 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 179.9° | 180.0° |
| C22 | C21 | N20 | C30 | 0.2° | 0.0° |
| C21 | C22 | N23 | C30 | 0.1° | 0.0° |
| N20 | C21 | C22 | N23 | 0.2° | 0.0° |
| C21 | N20 | C30 | N23 | 0.2° | 0.0° |
| C21 | N20 | C30 | N29 | 179.8° | 180.0° |
| C21 | N20 | C19 | H6 | 113.8° | 142.7° |
| N20 | C21 | C22 | H9 | 179.8° | 180.0° |
| C21 | N20 | C19 | O31 | 4.4° | 20.4° |
| C22 | N23 | C24 | C30 | 180.0° | 180.0° |
| C22 | N23 | C24 | N26 | 179.9° | 180.0° |
| C22 | N23 | C30 | N20 | 0.1° | 0.0° |
| C22 | N23 | C30 | N29 | 179.9° | 180.0° |
| N23 | C22 | C21 | H8 | 179.8° | 179.7° |
| N23 | C24 | N26 | C27 | 0.0° | 0.0° |
| C24 | N23 | C30 | N20 | 179.9° | 180.0° |
| C24 | N23 | C30 | N29 | 0.0° | 0.0° |
| C24 | N23 | C22 | H9 | 0.1° | 0.0° |
| C24 | N26 | C27 | N28 | 179.8° | 180.0° |
| C24 | N26 | C27 | N29 | 0.0° | 0.0° |
| N26 | C24 | N23 | C30 | 0.0° | 0.0° |
| N26 | C27 | N28 | N29 | 179.8° | 180.0° |
| N26 | C27 | N29 | C30 | 0.0° | 0.0° |
| N26 | C27 | N28 | H10 | 0.0° | 0.0° |
| N26 | C27 | N28 | H11 | 180.0° | 180.0° |
| N26 | C27 | N29 | H12 | 180.0° | 179.9° |
| N28 | C27 | N29 | C30 | 179.8° | 180.0° |
| C27 | N28 | H10 | H11 | 180.0° | 180.0° |
| N28 | C27 | N29 | H12 | 0.2° | 0.1° |
| C27 | N29 | C30 | N20 | 180.0° | 180.0° |
| C27 | N29 | C30 | N23 | 0.0° | 0.0° |
| C27 | N29 | C30 | H12 | 180.0° | 179.9° |
| N29 | C27 | N28 | H10 | 179.7° | 180.0° |
| N29 | C27 | N28 | H11 | 0.2° | 0.0° |
| N20 | C30 | N23 | N29 | 180.0° | 180.0° |
| C30 | N20 | C19 | H6 | 66.0° | 37.3° |
| C30 | N20 | C21 | H8 | 179.8° | 179.7° |
| N20 | C30 | N29 | H12 | 0.0° | 0.0° |
| C30 | N20 | C19 | O31 | 175.8° | 159.6° |
| C30 | N23 | C22 | H9 | 179.9° | 180.0° |
| N23 | C30 | N29 | H12 | 180.0° | 179.9° |
| O02 | P01 | O03 | O04 | 120.7° | 119.9° |
| O02 | P01 | O04 | P05 | 13.9° | 39.9° |
| O02 | P01 | O03 | H13 | 0.0° | 180.0° |
| O03 | P01 | O04 | P05 | 134.6° | 80.1° |
| P01 | O04 | P05 | O06 | 58.1° | 40.1° |
| P01 | O04 | P05 | O07 | 178.2° | 79.9° |
| P01 | O04 | P05 | O08 | 62.3° | 160.1° |
| O04 | P01 | O03 | H13 | 120.7° | 60.1° |
| O04 | P05 | O06 | O07 | 119.9° | 120.0° |
| O04 | P05 | O06 | O08 | 120.0° | 120.0° |
| O04 | P05 | O07 | O08 | 119.4° | 120.0° |
| O04 | P05 | O08 | P09 | 49.1° | 164.9° |
| O04 | P05 | O07 | H14 | 120.1° | 60.0° |
| O06 | P05 | O07 | O08 | 120.4° | 120.0° |
| O06 | P05 | O08 | P09 | 169.3° | 45.0° |
| O06 | P05 | O07 | H14 | 0.0° | 180.0° |
| O07 | P05 | O08 | P09 | 70.4° | 75.0° |
| P05 | O08 | P09 | O10 | 62.1° | 40.0° |
| P05 | O08 | P09 | O11 | 177.8° | 80.0° |
| P05 | O08 | P09 | O12 | 57.4° | 160.0° |
| O08 | P05 | O07 | H14 | 120.5° | 60.0° |
| O08 | P09 | O10 | O11 | 120.2° | 119.9° |
| O08 | P09 | O10 | O12 | 119.6° | 120.0° |
| O08 | P09 | O11 | O12 | 120.0° | 120.0° |
| O08 | P09 | O11 | H15 | 120.1° | 60.0° |
| O08 | P09 | O12 | H16 | 119.8° | 180.0° |
| O10 | P09 | O11 | O12 | 119.8° | 120.1° |
| O10 | P09 | O11 | H15 | 0.0° | 180.0° |
| O10 | P09 | O12 | H16 | 0.0° | 60.0° |
| O11 | P09 | O12 | H16 | 120.0° | 60.1° |
| O12 | P09 | O11 | H15 | 119.8° | 60.0° |
| H1 | C14 | C15 | H3 | 147.3° | 172.7° |
| H2 | C14 | C15 | H3 | 26.9° | 67.2° |
| H3 | C15 | C16 | H4 | 138.6° | 146.4° |
| H3 | C15 | O31 | C19 | 121.3° | 78.3° |
| H4 | C16 | C17 | H5 | 38.6° | 0.1° |
| H4 | C16 | O32 | H19 | 57.0° | 57.3° |
| H5 | C17 | C19 | H6 | 90.5° | 146.4° |
| H5 | C17 | O18 | H17 | 59.6° | 61.2° |
| H5 | C17 | C19 | O31 | 153.1° | 94.7° |
| H8 | C21 | C22 | H9 | 0.2° | 0.3° |
