6FW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S18 | C19 | sing | 1.76Å | 1.76Å | |
| S18 | C17 | sing | 1.76Å | 1.73Å | |
| C19 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | CL1 | sing | 1.74Å | 1.75Å | |
| C17 | N16 | doub | 1.31Å | 1.35Å | Aromatic |
| C17 | N07 | sing | 1.37Å | 1.35Å | Aromatic |
| N16 | C09 | sing | 1.36Å | 1.37Å | Aromatic |
| C05 | O06 | sing | 1.45Å | 1.59Å | |
| C05 | N07 | sing | 1.47Å | 1.26Å | |
| C05 | C04 | sing | 1.55Å | 1.66Å | |
| O06 | C02 | sing | 1.43Å | 1.30Å | |
| O26 | C04 | sing | 1.43Å | 1.47Å | |
| N07 | C08 | sing | 1.37Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.52Å | 1.49Å | |
| C02 | C03 | sing | 1.56Å | 1.74Å | |
| C04 | C03 | sing | 1.53Å | 1.31Å | |
| C01 | O30 | sing | 1.45Å | 1.52Å | |
| C09 | C08 | doub | 1.39Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.47Å | 1.48Å | |
| C08 | N14 | sing | 1.37Å | 1.43Å | |
| O30 | P28 | sing | 1.62Å | 1.67Å | |
| C03 | O27 | sing | 1.43Å | 1.45Å | |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| O27 | P28 | sing | 1.63Å | 1.64Å | |
| C10 | N12 | sing | 1.34Å | 1.37Å | |
| N14 | C13 | sing | 1.36Å | 1.41Å | |
| P28 | O29 | doub | 1.48Å | 1.47Å | |
| P28 | O31 | sing | 1.61Å | 1.55Å | |
| N12 | C13 | doub | 1.32Å | 1.40Å | |
| C13 | N15 | sing | 1.37Å | 1.37Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | S18 | C17 | 101.1° | 100.0° |
| S18 | C19 | C20 | 120.8° | 120.1° |
| S18 | C19 | C24 | 118.7° | 120.1° |
| S18 | C17 | N16 | 122.6° | 125.4° |
| S18 | C17 | N07 | 123.8° | 125.3° |
| C20 | C19 | C24 | 120.6° | 119.9° |
| C19 | C20 | C21 | 119.8° | 119.9° |
| C19 | C20 | H201 | 120.1° | 120.0° |
| C19 | C24 | C23 | 119.7° | 119.9° |
| C19 | C24 | H241 | 120.2° | 120.0° |
| C20 | C21 | C22 | 120.1° | 120.1° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C20 | C21 | H211 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.1° |
| C23 | C24 | H241 | 120.2° | 120.0° |
| C24 | C23 | H231 | 120.0° | 119.9° |
| C21 | C22 | C23 | 119.8° | 120.1° |
| C21 | C22 | CL1 | 120.2° | 119.9° |
| C22 | C21 | H211 | 119.9° | 120.0° |
| C23 | C22 | CL1 | 119.9° | 119.9° |
| C22 | C23 | H231 | 120.0° | 120.0° |
| N16 | C17 | N07 | 113.6° | 109.3° |
| C17 | N16 | C09 | 103.3° | 109.1° |
| C17 | N07 | C05 | 126.0° | 126.2° |
| C17 | N07 | C08 | 104.6° | 107.5° |
| N16 | C09 | C08 | 108.8° | 107.5° |
| N16 | C09 | C10 | 129.6° | 134.3° |
| O06 | C05 | N07 | 113.3° | 109.9° |
| O06 | C05 | C04 | 100.0° | 107.2° |
| C05 | O06 | C02 | 109.0° | 105.4° |
| O06 | C05 | H051 | 106.8° | 109.9° |
| N07 | C05 | C04 | 118.2° | 109.9° |
| C05 | N07 | C08 | 129.4° | 126.2° |
| N07 | C05 | H051 | 111.4° | 109.9° |
| C05 | C04 | O26 | 104.8° | 110.8° |
| C05 | C04 | C03 | 109.9° | 103.3° |
| C05 | C04 | H041 | 108.1° | 110.6° |
| C04 | C05 | H051 | 106.0° | 110.0° |
| O06 | C02 | C01 | 119.6° | 116.6° |
| O06 | C02 | C03 | 104.9° | 103.0° |
| O06 | C02 | H021 | 108.9° | 108.9° |
| O26 | C04 | C03 | 109.6° | 110.7° |
| O26 | C04 | H041 | 110.7° | 110.6° |
| C04 | O26 | H261 | 109.5° | 114.0° |
| N07 | C08 | C09 | 109.7° | 106.5° |
| N07 | C08 | N14 | 128.7° | 134.6° |
| C01 | C02 | C03 | 112.0° | 109.0° |
| C02 | C01 | O30 | 108.6° | 106.7° |
| C02 | C01 | H011 | 109.7° | 110.0° |
| C02 | C01 | H012 | 109.7° | 110.1° |
| C01 | C02 | H021 | 106.4° | 109.5° |
| C02 | C03 | C04 | 101.8° | 100.9° |
| C02 | C03 | O27 | 111.0° | 106.2° |
| C03 | C02 | H021 | 104.0° | 109.5° |
| C02 | C03 | H031 | 103.8° | 111.4° |
| C04 | C03 | O27 | 123.7° | 114.6° |
| C04 | C03 | H031 | 108.4° | 111.9° |
| C03 | C04 | H041 | 113.3° | 110.7° |
| C01 | O30 | P28 | 116.0° | 120.2° |
| O30 | C01 | H011 | 109.7° | 109.9° |
| O30 | C01 | H012 | 109.7° | 110.0° |
| C08 | C09 | C10 | 121.6° | 118.1° |
| C09 | C08 | N14 | 121.6° | 118.9° |
| C09 | C10 | O11 | 122.9° | 120.7° |
| C09 | C10 | N12 | 116.0° | 118.6° |
| C08 | N14 | C13 | 116.3° | 120.6° |
| C08 | N14 | H141 | 121.9° | 119.7° |
| O30 | P28 | O27 | 105.2° | 106.9° |
| O30 | P28 | O29 | 106.2° | 110.0° |
| O30 | P28 | O31 | 109.2° | 110.0° |
| C03 | O27 | P28 | 114.9° | 116.6° |
| O27 | C03 | H031 | 106.6° | 111.2° |
| O11 | C10 | N12 | 121.1° | 120.7° |
| O27 | P28 | O29 | 108.8° | 110.0° |
| O27 | P28 | O31 | 110.7° | 110.0° |
| C10 | N12 | C13 | 122.0° | 121.3° |
| N14 | C13 | N12 | 122.6° | 122.5° |
| N14 | C13 | N15 | 117.6° | 118.8° |
| C13 | N14 | H141 | 121.9° | 119.8° |
| O29 | P28 | O31 | 116.1° | 109.9° |
| P28 | O31 | H311 | 109.5° | 114.0° |
| N12 | C13 | N15 | 119.8° | 118.7° |
| C13 | N15 | H152 | 120.0° | 120.1° |
| C13 | N15 | H151 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 110.0° |
| H152 | N15 | H151 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S18 | C19 | C20 | C24 | 179.9° | 180.0° |
| S18 | C19 | C20 | C21 | 179.0° | 180.0° |
| S18 | C19 | C24 | C23 | 179.0° | 179.5° |
| C19 | S18 | C17 | N16 | 84.3° | 5.1° |
| C19 | S18 | C17 | N07 | 94.5° | 174.9° |
| S18 | C19 | C20 | H201 | 1.0° | 0.2° |
| S18 | C19 | C24 | H241 | 1.0° | 0.2° |
| C17 | S18 | C19 | C20 | 104.6° | 94.9° |
| C17 | S18 | C19 | C24 | 75.3° | 85.1° |
| S18 | C17 | N16 | N07 | 179.0° | 180.0° |
| S18 | C17 | N16 | C09 | 178.5° | 179.9° |
| S18 | C17 | N07 | C05 | 1.2° | 0.0° |
| S18 | C17 | N07 | C08 | 178.4° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.8° |
| C20 | C19 | C24 | C23 | 1.1° | 0.5° |
| C19 | C20 | C21 | C22 | 1.2° | 0.1° |
| C19 | C20 | C21 | H211 | 178.8° | 179.7° |
| C20 | C19 | C24 | H241 | 178.9° | 179.8° |
| C24 | C19 | C20 | C21 | 1.1° | 0.1° |
| C19 | C24 | C23 | H241 | 180.0° | 179.3° |
| C19 | C24 | C23 | C22 | 1.0° | 0.7° |
| C24 | C19 | C20 | H201 | 178.9° | 179.7° |
| C19 | C24 | C23 | H231 | 179.0° | 180.0° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 1.2° | 0.1° |
| C20 | C21 | C22 | CL1 | 179.5° | 180.0° |
| C24 | C23 | C22 | C21 | 1.1° | 0.5° |
| C24 | C23 | C22 | H231 | 180.0° | 179.2° |
| C24 | C23 | C22 | CL1 | 179.5° | 179.5° |
| C21 | C22 | C23 | CL1 | 178.4° | 179.9° |
| C22 | C21 | C20 | H201 | 178.8° | 179.9° |
| C21 | C22 | C23 | H231 | 178.9° | 179.8° |
| C23 | C22 | C21 | H211 | 178.8° | 180.0° |
| C22 | C23 | C24 | H241 | 178.9° | 180.0° |
| CL1 | C22 | C21 | H211 | 0.4° | 0.1° |
| CL1 | C22 | C23 | H231 | 0.5° | 0.3° |
| N16 | C17 | N07 | C05 | 179.9° | 180.0° |
| N16 | C17 | N07 | C08 | 0.5° | 0.0° |
| C17 | N16 | C09 | C08 | 0.3° | 0.0° |
| C17 | N16 | C09 | C10 | 179.6° | 179.9° |
| N07 | C17 | N16 | C09 | 0.5° | 0.0° |
| C17 | N07 | C05 | O06 | 119.3° | 43.5° |
| C17 | N07 | C05 | C08 | 179.5° | 180.0° |
| C17 | N07 | C05 | C04 | 124.2° | 74.3° |
| C17 | N07 | C08 | C09 | 0.3° | 0.0° |
| C17 | N07 | C08 | N14 | 179.3° | 180.0° |
| C17 | N07 | C05 | H051 | 1.1° | 164.6° |
| N16 | C09 | C08 | N07 | 0.0° | 0.0° |
| N16 | C09 | C08 | C10 | 179.9° | 179.9° |
| N16 | C09 | C08 | N14 | 179.1° | 180.0° |
| N16 | C09 | C10 | O11 | 0.1° | 0.2° |
| N16 | C09 | C10 | N12 | 178.8° | 179.9° |
| O06 | C05 | N07 | C04 | 116.5° | 117.8° |
| O06 | C05 | N07 | H051 | 120.4° | 121.0° |
| O06 | C05 | C04 | H051 | 110.8° | 119.5° |
| O06 | C05 | C04 | O26 | 107.8° | 117.3° |
| O06 | C05 | N07 | C08 | 61.2° | 136.5° |
| C05 | O06 | C02 | C01 | 159.9° | 162.9° |
| C05 | O06 | C02 | C03 | 33.3° | 43.5° |
| O06 | C05 | C04 | C03 | 9.9° | 1.3° |
| C05 | O06 | C02 | H021 | 77.5° | 72.6° |
| O06 | C05 | C04 | H041 | 134.1° | 119.8° |
| N07 | C05 | C04 | H051 | 125.8° | 121.1° |
| N07 | C05 | O06 | C02 | 145.1° | 146.1° |
| N07 | C05 | C04 | O26 | 128.8° | 123.3° |
| N07 | C05 | C04 | C03 | 113.5° | 118.2° |
| C05 | N07 | C08 | C09 | 179.9° | 180.0° |
| C05 | N07 | C08 | N14 | 1.1° | 0.0° |
| N07 | C05 | C04 | H041 | 10.7° | 0.3° |
| C04 | C05 | O06 | C02 | 18.4° | 26.7° |
| C05 | C04 | O26 | C03 | 117.9° | 113.9° |
| C05 | C04 | O26 | H041 | 116.4° | 123.0° |
| C04 | C05 | N07 | C08 | 55.2° | 105.7° |
| C05 | C04 | C03 | C02 | 26.3° | 25.8° |
| C05 | C04 | C03 | H041 | 121.2° | 118.4° |
| C05 | C04 | C03 | O27 | 151.6° | 139.4° |
| C05 | C04 | C03 | H031 | 82.7° | 92.8° |
| C05 | C04 | O26 | H261 | 180.0° | 66.1° |
| O06 | C02 | C01 | C03 | 123.3° | 116.0° |
| O06 | C02 | C01 | H021 | 123.8° | 124.2° |
| O06 | C02 | C03 | H021 | 114.3° | 115.7° |
| O06 | C02 | C03 | C04 | 39.8° | 43.1° |
| O06 | C02 | C01 | O30 | 179.0° | 176.9° |
| O06 | C02 | C03 | O27 | 173.1° | 162.9° |
| O06 | C02 | C01 | H011 | 59.1° | 63.9° |
| O06 | C02 | C01 | H012 | 61.1° | 57.5° |
| O06 | C02 | C03 | H031 | 72.8° | 75.9° |
| C02 | O06 | C05 | H051 | 91.8° | 92.8° |
| O26 | C04 | C03 | C02 | 88.4° | 92.8° |
| O26 | C04 | C03 | H041 | 124.1° | 123.0° |
| O26 | C04 | C03 | O27 | 37.0° | 20.8° |
| O26 | C04 | C03 | H031 | 162.7° | 148.6° |
| O26 | C04 | C05 | H051 | 3.0° | 2.2° |
| N07 | C08 | C09 | N14 | 179.1° | 180.0° |
| N07 | C08 | C09 | C10 | 179.9° | 179.9° |
| N07 | C08 | N14 | C13 | 179.5° | 180.0° |
| C08 | N07 | C05 | H051 | 178.3° | 15.4° |
| N07 | C08 | N14 | H141 | 0.5° | 0.1° |
| C01 | C02 | C03 | H021 | 114.5° | 119.8° |
| C01 | C02 | C03 | C04 | 171.0° | 167.5° |
| C02 | C01 | O30 | H011 | 119.9° | 119.3° |
| C02 | C01 | O30 | H012 | 119.9° | 119.4° |
| C02 | C01 | O30 | P28 | 59.9° | 49.7° |
| C01 | C02 | C03 | O27 | 55.6° | 72.6° |
| C02 | C01 | H011 | H012 | 120.3° | 121.5° |
| C01 | C02 | C03 | H031 | 58.5° | 48.6° |
| C02 | C03 | C04 | O27 | 125.3° | 113.6° |
| C02 | C03 | C04 | H031 | 109.0° | 118.6° |
| C03 | C02 | C01 | O30 | 55.7° | 67.1° |
| C02 | C03 | O27 | H031 | 112.3° | 121.4° |
| C02 | C03 | O27 | P28 | 53.6° | 57.4° |
| C03 | C02 | C01 | H011 | 64.2° | 52.1° |
| C03 | C02 | C01 | H012 | 175.6° | 173.6° |
| C02 | C03 | C04 | H041 | 147.5° | 144.2° |
| C04 | C03 | O27 | H031 | 126.5° | 128.1° |
| C04 | C03 | O27 | P28 | 174.8° | 167.9° |
| C04 | C03 | C02 | H021 | 74.5° | 72.7° |
| C03 | C04 | C05 | H051 | 120.7° | 120.7° |
| C03 | C04 | O26 | H261 | 62.1° | 180.0° |
| C01 | O30 | P28 | O27 | 54.6° | 34.0° |
| C01 | O30 | P28 | O29 | 169.9° | 153.4° |
| C01 | O30 | P28 | O31 | 64.2° | 85.4° |
| O30 | C01 | H011 | H012 | 120.4° | 121.2° |
| O30 | C01 | C02 | H021 | 57.3° | 52.7° |
| C08 | C09 | C10 | O11 | 179.8° | 179.7° |
| C08 | C09 | C10 | N12 | 1.3° | 0.1° |
| C09 | C08 | N14 | C13 | 0.6° | 0.0° |
| C09 | C08 | N14 | H141 | 179.3° | 180.0° |
| C10 | C09 | C08 | N14 | 1.0° | 0.1° |
| C09 | C10 | O11 | N12 | 178.9° | 179.8° |
| C09 | C10 | N12 | C13 | 1.3° | 0.0° |
| C08 | N14 | C13 | H141 | 180.0° | 180.0° |
| C08 | N14 | C13 | N12 | 0.6° | 0.0° |
| C08 | N14 | C13 | N15 | 179.3° | 180.0° |
| O30 | P28 | O27 | C03 | 52.4° | 38.0° |
| O30 | P28 | O27 | O29 | 113.5° | 119.4° |
| O30 | P28 | O27 | O31 | 117.8° | 119.4° |
| O30 | P28 | O29 | O31 | 121.6° | 121.2° |
| P28 | O30 | C01 | H011 | 60.0° | 69.6° |
| P28 | O30 | C01 | H012 | 179.7° | 169.1° |
| O30 | P28 | O31 | H311 | 120.0° | 61.2° |
| C03 | O27 | P28 | O29 | 165.9° | 157.4° |
| C03 | O27 | P28 | O31 | 65.4° | 81.4° |
| O27 | C03 | C02 | H021 | 58.8° | 47.2° |
| O27 | C03 | C04 | H041 | 87.2° | 102.2° |
| O11 | C10 | N12 | C13 | 179.7° | 179.7° |
| O27 | P28 | O29 | O31 | 125.6° | 121.3° |
| P28 | O27 | C03 | H031 | 58.7° | 64.0° |
| O27 | P28 | O31 | H311 | 124.6° | 178.7° |
| C10 | N12 | C13 | N14 | 1.1° | 0.0° |
| C10 | N12 | C13 | N15 | 179.7° | 180.0° |
| N14 | C13 | N12 | N15 | 178.6° | 180.0° |
| N14 | C13 | N15 | H152 | 178.6° | 180.0° |
| N14 | C13 | N15 | H151 | 1.4° | 0.0° |
| O29 | P28 | O31 | H311 | 0.0° | 60.0° |
| N12 | C13 | N14 | H141 | 179.3° | 180.0° |
| N12 | C13 | N15 | H152 | 0.0° | 0.0° |
| N12 | C13 | N15 | H151 | 180.0° | 180.0° |
| N15 | C13 | N14 | H141 | 0.7° | 0.0° |
| C13 | N15 | H152 | H151 | 180.0° | 180.0° |
| H201 | C20 | C21 | H211 | 1.2° | 0.0° |
| H241 | C24 | C23 | H231 | 1.0° | 0.7° |
| H011 | C01 | C02 | H021 | 177.2° | 172.0° |
| H012 | C01 | C02 | H021 | 62.6° | 66.6° |
| H021 | C02 | C03 | H031 | 172.9° | 168.4° |
| H031 | C03 | C04 | H041 | 38.5° | 25.6° |
| H041 | C04 | C05 | H051 | 115.1° | 120.8° |
| H041 | C04 | O26 | H261 | 63.6° | 57.0° |
