KSN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| O16 | C05 | doub | 1.21Å | 1.20Å | |
| N06 | C05 | sing | 1.35Å | 1.47Å | |
| N06 | C07 | sing | 1.46Å | 1.47Å | |
| C13 | C07 | sing | 1.51Å | 1.55Å | |
| C13 | O15 | sing | 1.34Å | 1.25Å | |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| O11 | C10 | doub | 1.21Å | 1.27Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C10 | O12 | sing | 1.34Å | 1.28Å | |
| C02 | N01 | sing | 1.47Å | 1.47Å | |
| C02 | C17 | sing | 1.51Å | 1.53Å | |
| O18 | C17 | doub | 1.21Å | 1.26Å | |
| C17 | O19 | sing | 1.34Å | 1.26Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| O12 | H2 | sing | 0.97Å | 0.95Å | |
| O15 | H3 | sing | 0.97Å | 0.95Å | |
| O19 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C13 | C07 | 118.2° | 120.0° |
| O14 | C13 | O15 | 119.6° | 120.0° |
| O16 | C05 | N06 | 118.2° | 120.0° |
| O16 | C05 | C04 | 119.0° | 120.0° |
| C05 | N06 | C07 | 123.0° | 120.0° |
| N06 | C05 | C04 | 122.7° | 120.0° |
| C05 | N06 | H061 | 118.5° | 120.0° |
| N06 | C07 | C13 | 97.8° | 109.5° |
| N06 | C07 | C08 | 116.7° | 109.4° |
| N06 | C07 | H071 | 109.9° | 109.5° |
| C07 | N06 | H061 | 118.5° | 120.0° |
| C07 | C13 | O15 | 122.2° | 120.0° |
| C13 | C07 | C08 | 113.7° | 109.5° |
| C13 | C07 | H071 | 108.9° | 109.5° |
| C13 | O15 | H3 | 109.5° | 117.0° |
| C05 | C04 | C03 | 115.4° | 109.5° |
| C05 | C04 | H041 | 108.0° | 109.5° |
| C05 | C04 | H042 | 108.0° | 109.4° |
| C07 | C08 | C09 | 113.0° | 109.5° |
| C08 | C07 | H071 | 109.2° | 109.4° |
| C07 | C08 | H082 | 108.6° | 109.5° |
| C07 | C08 | H081 | 108.6° | 109.4° |
| C08 | C09 | C10 | 115.4° | 109.4° |
| C09 | C08 | H082 | 108.6° | 109.5° |
| C09 | C08 | H081 | 108.6° | 109.5° |
| C08 | C09 | H091 | 108.0° | 109.5° |
| C08 | C09 | H092 | 108.0° | 109.5° |
| O11 | C10 | C09 | 119.6° | 120.0° |
| O11 | C10 | O12 | 119.3° | 120.0° |
| C09 | C10 | O12 | 121.2° | 120.0° |
| C10 | C09 | H091 | 108.0° | 109.5° |
| C10 | C09 | H092 | 108.0° | 109.5° |
| C04 | C03 | C02 | 117.1° | 109.5° |
| C04 | C03 | H031 | 107.5° | 109.5° |
| C04 | C03 | H032 | 107.5° | 109.5° |
| C03 | C04 | H041 | 108.0° | 109.5° |
| C03 | C04 | H042 | 108.0° | 109.5° |
| C03 | C02 | N01 | 107.5° | 109.5° |
| C03 | C02 | C17 | 115.8° | 109.5° |
| C03 | C02 | H021 | 107.4° | 109.5° |
| C02 | C03 | H031 | 107.5° | 109.5° |
| C02 | C03 | H032 | 107.5° | 109.4° |
| C10 | O12 | H2 | 109.5° | 117.0° |
| N01 | C02 | C17 | 110.3° | 109.5° |
| N01 | C02 | H021 | 108.2° | 109.4° |
| C02 | N01 | H012 | 109.5° | 110.9° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C02 | C17 | O18 | 117.7° | 120.0° |
| C02 | C17 | O19 | 124.5° | 120.0° |
| C17 | C02 | H021 | 107.4° | 109.4° |
| O18 | C17 | O19 | 117.8° | 120.0° |
| C17 | O19 | H4 | 109.5° | 117.0° |
| H031 | C03 | H032 | 109.4° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H012 | N01 | H011 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C13 | C07 | N06 | 38.1° | 0.1° |
| O14 | C13 | C07 | O15 | 177.8° | 180.0° |
| O14 | C13 | C07 | C08 | 85.6° | 120.0° |
| O14 | C13 | C07 | H071 | 152.3° | 120.0° |
| O14 | C13 | O15 | H3 | 0.0° | 0.0° |
| O16 | C05 | N06 | C04 | 176.1° | 180.0° |
| O16 | C05 | N06 | C07 | 178.2° | 0.0° |
| O16 | C05 | C04 | C03 | 67.2° | 0.0° |
| O16 | C05 | C04 | H041 | 53.7° | 120.0° |
| O16 | C05 | C04 | H042 | 171.9° | 120.0° |
| O16 | C05 | N06 | H061 | 1.8° | 180.0° |
| C05 | N06 | C07 | H061 | 180.0° | 180.0° |
| C05 | N06 | C07 | C13 | 94.6° | 85.0° |
| C05 | N06 | C07 | C08 | 143.9° | 155.0° |
| N06 | C05 | C04 | C03 | 116.8° | 180.0° |
| N06 | C05 | C04 | H041 | 122.3° | 60.0° |
| N06 | C05 | C04 | H042 | 4.1° | 60.0° |
| C05 | N06 | C07 | H071 | 18.8° | 35.0° |
| N06 | C07 | C13 | C08 | 123.7° | 120.0° |
| N06 | C07 | C13 | H071 | 114.2° | 120.1° |
| N06 | C07 | C13 | O15 | 139.7° | 180.0° |
| C07 | N06 | C05 | C04 | 5.7° | 180.0° |
| N06 | C07 | C08 | H071 | 125.5° | 120.0° |
| N06 | C07 | C08 | C09 | 179.9° | 65.0° |
| N06 | C07 | C08 | H082 | 59.6° | 55.0° |
| N06 | C07 | C08 | H081 | 59.4° | 175.0° |
| C13 | C07 | C08 | H071 | 121.8° | 120.0° |
| C13 | C07 | C08 | C09 | 67.3° | 175.0° |
| C13 | C07 | C08 | H082 | 172.2° | 65.0° |
| C13 | C07 | C08 | H081 | 53.3° | 55.0° |
| C13 | C07 | N06 | H061 | 85.4° | 95.0° |
| C07 | C13 | O15 | H3 | 177.8° | 180.0° |
| O15 | C13 | C07 | C08 | 96.6° | 60.0° |
| O15 | C13 | C07 | H071 | 25.5° | 59.9° |
| C05 | C04 | C03 | H041 | 120.9° | 120.0° |
| C05 | C04 | C03 | H042 | 120.9° | 120.0° |
| C05 | C04 | C03 | C02 | 119.9° | 180.0° |
| C05 | C04 | C03 | H031 | 119.0° | 60.0° |
| C05 | C04 | C03 | H032 | 1.2° | 60.0° |
| C05 | C04 | H041 | H042 | 117.3° | 119.9° |
| C04 | C05 | N06 | H061 | 174.3° | 0.0° |
| C07 | C08 | C09 | H082 | 120.5° | 120.0° |
| C07 | C08 | C09 | H081 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 167.2° | 180.0° |
| C07 | C08 | H082 | H081 | 118.4° | 120.0° |
| C07 | C08 | C09 | H091 | 72.0° | 60.0° |
| C07 | C08 | C09 | H092 | 46.3° | 60.0° |
| C08 | C07 | N06 | H061 | 36.1° | 25.0° |
| C08 | C09 | C10 | O11 | 18.9° | 0.2° |
| C08 | C09 | C10 | H091 | 120.9° | 120.0° |
| C08 | C09 | C10 | H092 | 120.9° | 120.0° |
| C08 | C09 | C10 | O12 | 161.8° | 180.0° |
| C09 | C08 | C07 | H071 | 54.6° | 55.0° |
| C09 | C08 | H082 | H081 | 118.4° | 120.1° |
| C08 | C09 | H091 | H092 | 117.3° | 120.0° |
| O11 | C10 | C09 | O12 | 179.2° | 179.8° |
| O11 | C10 | C09 | H091 | 139.8° | 120.2° |
| O11 | C10 | C09 | H092 | 101.9° | 119.7° |
| O11 | C10 | O12 | H2 | 0.0° | 0.3° |
| C10 | C09 | C08 | H082 | 46.7° | 60.0° |
| C10 | C09 | C08 | H081 | 72.3° | 60.0° |
| C10 | C09 | H091 | H092 | 117.3° | 120.0° |
| C09 | C10 | O12 | H2 | 179.2° | 180.0° |
| C04 | C03 | C02 | H031 | 121.1° | 120.0° |
| C04 | C03 | C02 | H032 | 121.1° | 120.0° |
| C04 | C03 | C02 | N01 | 144.7° | 65.0° |
| C04 | C03 | C02 | C17 | 20.9° | 175.0° |
| C04 | C03 | C02 | H021 | 99.1° | 55.0° |
| C04 | C03 | H031 | H032 | 116.5° | 120.1° |
| C03 | C04 | H041 | H042 | 117.3° | 120.1° |
| C03 | C02 | N01 | C17 | 127.1° | 120.1° |
| C03 | C02 | N01 | H021 | 115.7° | 120.0° |
| C03 | C02 | C17 | H021 | 120.0° | 120.0° |
| C03 | C02 | C17 | O18 | 86.9° | 100.0° |
| C03 | C02 | C17 | O19 | 93.6° | 80.0° |
| C02 | C03 | H031 | H032 | 116.5° | 119.9° |
| C02 | C03 | C04 | H041 | 1.0° | 60.0° |
| C02 | C03 | C04 | H042 | 119.2° | 60.0° |
| C03 | C02 | N01 | H012 | 180.0° | 60.1° |
| C03 | C02 | N01 | H011 | 60.0° | 63.9° |
| O12 | C10 | C09 | H091 | 41.0° | 60.0° |
| O12 | C10 | C09 | H092 | 77.3° | 60.0° |
| N01 | C02 | C17 | H021 | 117.7° | 119.9° |
| N01 | C02 | C17 | O18 | 150.8° | 20.0° |
| N01 | C02 | C17 | O19 | 28.7° | 160.0° |
| N01 | C02 | C03 | H031 | 23.6° | 55.1° |
| N01 | C02 | C03 | H032 | 94.2° | 175.0° |
| C02 | N01 | H012 | H011 | 120.0° | 124.0° |
| C02 | C17 | O18 | O19 | 179.5° | 180.0° |
| C17 | C02 | C03 | H031 | 100.2° | 65.0° |
| C17 | C02 | C03 | H032 | 142.0° | 55.0° |
| C17 | C02 | N01 | H012 | 52.9° | 60.0° |
| C17 | C02 | N01 | H011 | 67.1° | 176.0° |
| C02 | C17 | O19 | H4 | 179.5° | 179.9° |
| O18 | C17 | C02 | H021 | 33.1° | 140.0° |
| O18 | C17 | O19 | H4 | 0.0° | 0.1° |
| O19 | C17 | C02 | H021 | 146.4° | 40.0° |
| H021 | C02 | C03 | H031 | 139.8° | 175.0° |
| H021 | C02 | C03 | H032 | 22.1° | 65.0° |
| H021 | C02 | N01 | H012 | 64.3° | 179.9° |
| H021 | C02 | N01 | H011 | 175.7° | 56.1° |
| H031 | C03 | C04 | H041 | 120.1° | NaN° |
| H031 | C03 | C04 | H042 | 1.9° | 60.0° |
| H032 | C03 | C04 | H041 | 122.1° | 60.0° |
| H032 | C03 | C04 | H042 | 119.6° | 180.0° |
| H071 | C07 | C08 | H082 | 65.9° | 175.0° |
| H071 | C07 | C08 | H081 | 175.1° | 65.0° |
| H071 | C07 | N06 | H061 | 161.2° | 145.0° |
| H082 | C08 | C09 | H091 | 167.5° | 60.0° |
| H082 | C08 | C09 | H092 | 74.2° | 180.0° |
| H081 | C08 | C09 | H091 | 48.5° | 179.9° |
| H081 | C08 | C09 | H092 | 166.8° | 59.9° |
