9SN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.38Å | 1.34Å | |
| C7 | C18 | sing | 1.55Å | 1.53Å | |
| C7 | N6 | sing | 1.46Å | 1.46Å | |
| C7 | O8 | sing | 1.44Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C16 | sing | 1.54Å | 1.52Å | |
| C9 | O8 | sing | 1.44Å | 1.44Å | |
| C10 | O11 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C20 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C2 | N23 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | C18 | sing | 1.55Å | 1.53Å | |
| C16 | O17 | sing | 1.43Å | 1.42Å | |
| C18 | O19 | sing | 1.43Å | 1.42Å | |
| C20 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C20 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.34Å | Aromatic |
| C22 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.47Å | 1.49Å | |
| C24 | O14 | sing | 1.35Å | 1.37Å | |
| C24 | O26 | doub | 1.21Å | 1.21Å | |
| C25 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | F33 | sing | 1.35Å | 1.35Å | |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.39Å | 1.38Å | |
| O11 | P12 | sing | 1.61Å | 1.56Å | |
| O13 | P12 | sing | 1.61Å | 1.50Å | |
| O14 | P12 | sing | 1.61Å | 1.64Å | |
| O15 | P12 | doub | 1.48Å | 1.48Å | |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| N1 | HN1B | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C7 | HC7 | sing | 1.09Å | 1.10Å | |
| C9 | HC9 | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C16 | HC16 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.08Å | 1.08Å | |
| C28 | HC28 | sing | 1.08Å | 1.08Å | |
| C29 | HC29 | sing | 1.08Å | 1.08Å | |
| C30 | HC30 | sing | 1.08Å | 1.08Å | |
| N32 | H32B | sing | 0.97Å | 1.00Å | |
| N32 | H32A | sing | 0.97Å | 1.00Å | |
| O13 | HO13 | sing | 0.97Å | 0.95Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C5 | N6 | 114.1° | 110.0° |
| C5 | N4 | C3 | 103.7° | 109.5° |
| N4 | C5 | HC5 | 123.0° | 125.0° |
| C5 | N6 | C7 | 127.6° | 126.3° |
| C5 | N6 | C20 | 105.7° | 107.4° |
| N6 | C5 | HC5 | 123.0° | 125.0° |
| N1 | C2 | C3 | 123.9° | 120.8° |
| N1 | C2 | N23 | 118.4° | 120.7° |
| C2 | N1 | HN1B | 109.5° | 119.9° |
| C2 | N1 | HN1A | 109.5° | 120.0° |
| C18 | C7 | N6 | 114.1° | 110.6° |
| C18 | C7 | O8 | 107.0° | 103.5° |
| C7 | C18 | C16 | 100.6° | 102.1° |
| C7 | C18 | O19 | 110.1° | 110.9° |
| C18 | C7 | HC7 | 108.3° | 110.6° |
| C7 | C18 | HC18 | 110.8° | 110.9° |
| N6 | C7 | O8 | 108.2° | 110.6° |
| C7 | N6 | C20 | 126.7° | 126.3° |
| N6 | C7 | HC7 | 109.3° | 110.6° |
| C7 | O8 | C9 | 109.7° | 107.0° |
| O8 | C7 | HC7 | 109.9° | 110.8° |
| C10 | C9 | C16 | 114.5° | 109.9° |
| C10 | C9 | O8 | 109.8° | 109.9° |
| C9 | C10 | O11 | 109.4° | 109.5° |
| C10 | C9 | HC9 | 109.1° | 109.9° |
| C9 | C10 | H10B | 109.5° | 109.5° |
| C9 | C10 | H10A | 109.5° | 109.4° |
| C16 | C9 | O8 | 104.5° | 107.3° |
| C9 | C16 | C18 | 101.5° | 104.2° |
| C9 | C16 | O17 | 110.2° | 110.5° |
| C16 | C9 | HC9 | 108.9° | 109.9° |
| C9 | C16 | HC16 | 109.6° | 110.5° |
| O8 | C9 | HC9 | 109.9° | 110.0° |
| C10 | O11 | P12 | 128.3° | 123.0° |
| O11 | C10 | H10B | 109.5° | 109.5° |
| O11 | C10 | H10A | 109.5° | 109.5° |
| C2 | C3 | C20 | 116.9° | 118.1° |
| C2 | C3 | N4 | 132.4° | 134.7° |
| C3 | C2 | N23 | 117.6° | 118.5° |
| C20 | C3 | N4 | 110.7° | 107.1° |
| C3 | C20 | N21 | 126.8° | 119.1° |
| C3 | C20 | N6 | 105.8° | 106.0° |
| C2 | N23 | C22 | 118.8° | 121.1° |
| C18 | C16 | O17 | 114.5° | 110.5° |
| C16 | C18 | O19 | 111.5° | 110.9° |
| C18 | C16 | HC16 | 109.5° | 110.5° |
| C16 | C18 | HC18 | 110.8° | 111.0° |
| O17 | C16 | HC16 | 111.1° | 110.6° |
| C16 | O17 | HO17 | 109.5° | 114.0° |
| O19 | C18 | HC18 | 112.4° | 110.8° |
| C18 | O19 | HO19 | 109.5° | 114.0° |
| N21 | C20 | N6 | 127.4° | 134.9° |
| C20 | N21 | C22 | 111.0° | 120.6° |
| N21 | C22 | N23 | 128.9° | 122.5° |
| N21 | C22 | HC22 | 115.6° | 118.8° |
| N23 | C22 | HC22 | 115.6° | 118.7° |
| C25 | C24 | O14 | 113.6° | 120.0° |
| C25 | C24 | O26 | 123.6° | 120.0° |
| C24 | C25 | C27 | 120.4° | 120.2° |
| C24 | C25 | C31 | 121.8° | 120.3° |
| O14 | C24 | O26 | 122.8° | 120.0° |
| C24 | O14 | P12 | 126.6° | 117.0° |
| C27 | C25 | C31 | 117.8° | 119.5° |
| C25 | C27 | C28 | 123.6° | 119.9° |
| C25 | C27 | F33 | 117.9° | 120.1° |
| C25 | C31 | C30 | 118.4° | 119.7° |
| C25 | C31 | N32 | 121.4° | 120.2° |
| C28 | C27 | F33 | 118.5° | 120.1° |
| C27 | C28 | C29 | 118.4° | 120.3° |
| C27 | C28 | HC28 | 120.8° | 119.9° |
| C28 | C29 | C30 | 120.4° | 120.5° |
| C29 | C28 | HC28 | 120.8° | 119.8° |
| C28 | C29 | HC29 | 119.8° | 119.8° |
| C29 | C30 | C31 | 121.4° | 120.1° |
| C30 | C29 | HC29 | 119.8° | 119.7° |
| C29 | C30 | HC30 | 119.3° | 119.9° |
| C30 | C31 | N32 | 120.2° | 120.1° |
| C31 | C30 | HC30 | 119.3° | 120.0° |
| C31 | N32 | H32B | 109.5° | 120.0° |
| C31 | N32 | H32A | 109.4° | 120.0° |
| O11 | P12 | O13 | 106.5° | 109.5° |
| O11 | P12 | O14 | 103.0° | 109.5° |
| O11 | P12 | O15 | 112.0° | 109.5° |
| O13 | P12 | O14 | 104.8° | 109.5° |
| O13 | P12 | O15 | 114.7° | 109.5° |
| P12 | O13 | HO13 | 109.5° | 114.0° |
| O14 | P12 | O15 | 114.8° | 109.4° |
| HN1B | N1 | HN1A | 109.5° | 120.0° |
| H10B | C10 | H10A | 109.5° | 109.5° |
| H32B | N32 | H32A | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C5 | N6 | HC5 | 180.0° | 179.7° |
| N4 | C5 | N6 | C7 | 175.7° | 180.0° |
| C5 | N4 | C3 | C2 | 179.2° | 180.0° |
| C5 | N4 | C3 | C20 | 0.3° | 0.0° |
| N4 | C5 | N6 | C20 | 1.0° | 0.0° |
| C5 | N6 | C7 | C18 | 114.2° | 95.0° |
| C5 | N6 | C7 | C20 | 176.0° | 180.0° |
| C5 | N6 | C7 | O8 | 4.8° | 19.0° |
| C5 | N6 | C20 | C3 | 1.1° | 0.0° |
| N6 | C5 | N4 | C3 | 0.4° | 0.0° |
| C5 | N6 | C20 | N21 | 179.2° | 180.0° |
| C5 | N6 | C7 | HC7 | 124.4° | 142.1° |
| N1 | C2 | C3 | N23 | 176.4° | 180.0° |
| N1 | C2 | C3 | C20 | 174.7° | 179.9° |
| N1 | C2 | C3 | N4 | 4.8° | 0.1° |
| N1 | C2 | N23 | C22 | 175.4° | 179.9° |
| C2 | N1 | HN1B | HN1A | 120.0° | 179.9° |
| C18 | C7 | N6 | O8 | 118.9° | 114.0° |
| C18 | C7 | N6 | HC7 | 121.4° | 122.8° |
| C18 | C7 | O8 | HC7 | 117.4° | 118.5° |
| C7 | C18 | C16 | C9 | 39.3° | 20.9° |
| C18 | C7 | O8 | C9 | 6.5° | 40.0° |
| C7 | C18 | C16 | O19 | 116.7° | 118.2° |
| C7 | C18 | C16 | HC18 | 117.2° | 118.2° |
| C7 | C18 | C16 | O17 | 158.0° | 97.8° |
| C7 | C18 | O19 | HC18 | 124.1° | 123.6° |
| C18 | C7 | N6 | C20 | 69.9° | 85.0° |
| C7 | C18 | C16 | HC16 | 76.5° | 139.5° |
| C7 | C18 | O19 | HO19 | 180.0° | 180.0° |
| N6 | C7 | O8 | HC7 | 119.2° | 123.0° |
| N6 | C7 | O8 | C9 | 116.8° | 158.5° |
| C7 | N6 | C20 | C3 | 175.6° | 180.0° |
| N6 | C7 | C18 | C16 | 90.5° | 155.5° |
| N6 | C7 | C18 | O19 | 151.7° | 86.3° |
| C7 | N6 | C20 | N21 | 4.1° | 0.0° |
| C7 | N6 | C5 | HC5 | 4.3° | 0.3° |
| N6 | C7 | C18 | HC18 | 26.7° | 37.3° |
| C7 | O8 | C9 | C10 | 142.5° | 145.9° |
| C7 | O8 | C9 | C16 | 19.2° | 26.5° |
| O8 | C7 | C18 | C16 | 29.1° | 37.0° |
| O8 | C7 | C18 | O19 | 88.6° | 155.2° |
| O8 | C7 | N6 | C20 | 171.2° | 161.0° |
| C7 | O8 | C9 | HC9 | 97.4° | 93.0° |
| O8 | C7 | C18 | HC18 | 146.4° | 81.2° |
| C10 | C9 | C16 | O8 | 120.2° | 119.4° |
| C10 | C9 | C16 | HC9 | 122.4° | 121.0° |
| C10 | C9 | O8 | HC9 | 120.0° | 121.0° |
| C9 | C10 | O11 | H10B | 120.0° | 120.0° |
| C9 | C10 | O11 | H10A | 120.0° | 120.0° |
| C10 | C9 | C16 | C18 | 157.0° | 121.4° |
| C10 | C9 | C16 | O17 | 81.2° | 119.9° |
| C9 | C10 | O11 | P12 | 173.4° | 180.0° |
| C9 | C10 | H10B | H10A | 120.1° | 120.0° |
| C10 | C9 | C16 | HC16 | 41.3° | 2.8° |
| C16 | C9 | O8 | HC9 | 116.7° | 119.5° |
| C16 | C9 | C10 | O11 | 175.1° | 175.0° |
| C9 | C16 | C18 | O17 | 118.7° | 118.7° |
| C9 | C16 | C18 | HC16 | 115.8° | 118.7° |
| C9 | C16 | O17 | HC16 | 121.7° | 122.6° |
| C9 | C16 | C18 | O19 | 77.4° | 139.1° |
| C16 | C9 | C10 | H10B | 64.9° | 55.0° |
| C16 | C9 | C10 | H10A | 55.1° | 65.0° |
| C9 | C16 | C18 | HC18 | 156.5° | 97.3° |
| C9 | C16 | O17 | HO17 | 180.0° | 180.0° |
| O8 | C9 | C10 | O11 | 57.9° | 67.2° |
| O8 | C9 | C16 | C18 | 36.8° | 2.0° |
| O8 | C9 | C16 | O17 | 158.6° | 120.7° |
| C9 | O8 | C7 | HC7 | 123.9° | 78.5° |
| O8 | C9 | C10 | H10B | 177.9° | 172.8° |
| O8 | C9 | C10 | H10A | 62.1° | 52.8° |
| O8 | C9 | C16 | HC16 | 78.9° | 116.6° |
| C10 | O11 | P12 | O13 | 47.2° | 65.0° |
| C10 | O11 | P12 | O14 | 62.8° | 175.0° |
| C10 | O11 | P12 | O15 | 173.3° | 55.0° |
| O11 | C10 | C9 | HC9 | 62.6° | 54.0° |
| O11 | C10 | H10B | H10A | 120.1° | 120.0° |
| C2 | C3 | C20 | N4 | 179.6° | 180.0° |
| C2 | C3 | C20 | N21 | 1.1° | 0.0° |
| C2 | C3 | C20 | N6 | 178.7° | 180.0° |
| C3 | C2 | N23 | C22 | 1.2° | 0.0° |
| C3 | C2 | N1 | HN1B | 176.3° | 0.1° |
| C3 | C2 | N1 | HN1A | 56.3° | 180.0° |
| C20 | C3 | C2 | N23 | 1.7° | 0.0° |
| C3 | C20 | N21 | N6 | 179.7° | 180.0° |
| C3 | C20 | N21 | C22 | 0.1° | 0.0° |
| N4 | C3 | C2 | N23 | 178.9° | 180.0° |
| N4 | C3 | C20 | N21 | 179.4° | 180.0° |
| N4 | C3 | C20 | N6 | 0.9° | 0.0° |
| C3 | N4 | C5 | HC5 | 179.6° | 179.7° |
| C2 | N23 | C22 | N21 | 0.1° | 0.0° |
| N23 | C2 | N1 | HN1B | 0.0° | 180.0° |
| N23 | C2 | N1 | HN1A | 120.0° | 0.1° |
| C2 | N23 | C22 | HC22 | 179.9° | 180.0° |
| C18 | C16 | O17 | HC16 | 124.7° | 122.6° |
| C16 | C18 | O19 | HC18 | 125.2° | 123.7° |
| C16 | C18 | C7 | HC7 | 147.5° | 81.6° |
| C18 | C16 | C9 | HC9 | 80.5° | 117.6° |
| C18 | C16 | O17 | HO17 | 66.3° | 65.2° |
| C16 | C18 | O19 | HO19 | 69.3° | 67.3° |
| O17 | C16 | C18 | O19 | 41.3° | 20.4° |
| O17 | C16 | C9 | HC9 | 41.2° | 1.1° |
| O17 | C16 | C18 | HC18 | 84.8° | 144.0° |
| O19 | C18 | C7 | HC7 | 29.8° | 36.6° |
| O19 | C18 | C16 | HC16 | 166.8° | 102.2° |
| C20 | N21 | C22 | N23 | 0.7° | 0.0° |
| C20 | N21 | C22 | HC22 | 179.3° | 180.0° |
| N6 | C20 | N21 | C22 | 179.8° | 180.0° |
| C20 | N6 | C5 | HC5 | 179.0° | 179.7° |
| C20 | N6 | C7 | HC7 | 51.6° | 37.8° |
| N21 | C22 | N23 | HC22 | 180.0° | 180.0° |
| C25 | C24 | O14 | O26 | 179.7° | 179.9° |
| C24 | C25 | C27 | C31 | 179.7° | 179.7° |
| C24 | C25 | C27 | C28 | 179.5° | 180.0° |
| C24 | C25 | C27 | F33 | 2.9° | 0.0° |
| C24 | C25 | C31 | C30 | 180.0° | 179.7° |
| C24 | C25 | C31 | N32 | 0.5° | 0.0° |
| C25 | C24 | O14 | P12 | 179.6° | 180.0° |
| O14 | C24 | C25 | C27 | 167.2° | 90.1° |
| O14 | C24 | C25 | C31 | 12.5° | 89.7° |
| C24 | O14 | P12 | O11 | 42.4° | 175.0° |
| C24 | O14 | P12 | O13 | 153.7° | 65.0° |
| C24 | O14 | P12 | O15 | 79.7° | 55.1° |
| O26 | C24 | C25 | C27 | 13.1° | 90.0° |
| O26 | C24 | C25 | C31 | 167.2° | 90.3° |
| O26 | C24 | O14 | P12 | 0.7° | 0.1° |
| C25 | C27 | C28 | F33 | 177.6° | 180.0° |
| C25 | C27 | C28 | C29 | 0.9° | 0.0° |
| C27 | C25 | C31 | C30 | 0.3° | 0.6° |
| C27 | C25 | C31 | N32 | 179.1° | 179.8° |
| C25 | C27 | C28 | HC28 | 179.1° | 180.0° |
| C31 | C25 | C27 | C28 | 0.8° | 0.3° |
| C31 | C25 | C27 | F33 | 176.8° | 179.7° |
| C25 | C31 | C30 | C29 | 0.1° | 0.6° |
| C25 | C31 | C30 | N32 | 179.4° | 179.7° |
| C25 | C31 | C30 | HC30 | 179.9° | 179.6° |
| C25 | C31 | N32 | H32B | 180.0° | 0.1° |
| C25 | C31 | N32 | H32A | 60.0° | 180.0° |
| C27 | C28 | C29 | HC28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.1° |
| C27 | C28 | C29 | HC29 | 179.6° | 180.0° |
| F33 | C27 | C28 | C29 | 176.7° | 180.0° |
| F33 | C27 | C28 | HC28 | 3.3° | 0.0° |
| C28 | C29 | C30 | HC29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.2° |
| C28 | C29 | C30 | HC30 | 179.9° | 179.9° |
| C29 | C30 | C31 | HC30 | 180.0° | 179.8° |
| C29 | C30 | C31 | N32 | 179.5° | 179.8° |
| C30 | C29 | C28 | HC28 | 179.5° | 179.9° |
| C31 | C30 | C29 | HC29 | 180.0° | 179.7° |
| C30 | C31 | N32 | H32B | 0.6° | 179.7° |
| C30 | C31 | N32 | H32A | 120.6° | 0.3° |
| N32 | C31 | C30 | HC30 | 0.4° | 0.0° |
| C31 | N32 | H32B | H32A | 120.0° | 179.9° |
| O11 | P12 | O13 | O14 | 108.8° | 120.0° |
| O11 | P12 | O13 | O15 | 124.5° | 120.0° |
| O11 | P12 | O14 | O15 | 122.0° | 120.0° |
| P12 | O11 | C10 | H10B | 53.4° | 60.0° |
| P12 | O11 | C10 | H10A | 66.6° | 60.0° |
| O11 | P12 | O13 | HO13 | 124.5° | 60.0° |
| O13 | P12 | O14 | O15 | 126.7° | 120.0° |
| O14 | P12 | O13 | HO13 | 126.7° | 60.0° |
| O15 | P12 | O13 | HO13 | 0.0° | 180.0° |
| HC7 | C7 | C18 | HC18 | 95.2° | 160.1° |
| HC9 | C9 | C10 | H10B | 57.4° | 66.0° |
| HC9 | C9 | C10 | H10A | 177.4° | 174.0° |
| HC9 | C9 | C16 | HC16 | 163.7° | 123.8° |
| HC16 | C16 | C18 | HC18 | 40.7° | 21.3° |
| HC16 | C16 | O17 | HO17 | 58.3° | 57.4° |
| HC18 | C18 | O19 | HO19 | 55.9° | 56.4° |
| HC28 | C28 | C29 | HC29 | 0.5° | 0.0° |
| HC29 | C29 | C30 | HC30 | 0.1° | 0.1° |
