LSY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N10 | sing | 1.47Å | 1.45Å | |
| C12 | N10 | sing | 1.46Å | 1.45Å | |
| N10 | C08 | sing | 1.35Å | 1.44Å | |
| C08 | O09 | doub | 1.22Å | 1.18Å | |
| C08 | N07 | sing | 1.35Å | 1.42Å | |
| N07 | N06 | sing | 1.40Å | 1.41Å | |
| O05 | C04 | doub | 1.22Å | 1.20Å | |
| C04 | N06 | sing | 1.35Å | 1.47Å | |
| C04 | N02 | sing | 1.35Å | 1.45Å | |
| C03 | N02 | sing | 1.46Å | 1.45Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| N06 | H1 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C12 | 121.1° | 120.0° |
| C11 | N10 | C08 | 119.9° | 120.0° |
| N10 | C11 | H112 | 109.5° | 109.5° |
| N10 | C11 | H113 | 109.4° | 109.5° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| C12 | N10 | C08 | 118.9° | 120.0° |
| N10 | C12 | H121 | 109.5° | 109.5° |
| N10 | C12 | H123 | 109.4° | 109.4° |
| N10 | C12 | H122 | 109.5° | 109.5° |
| N10 | C08 | O09 | 123.3° | 120.0° |
| N10 | C08 | N07 | 120.7° | 120.0° |
| O09 | C08 | N07 | 116.0° | 120.0° |
| C08 | N07 | N06 | 114.2° | 120.0° |
| C08 | N07 | H071 | 122.9° | 120.0° |
| N07 | N06 | C04 | 112.5° | 120.0° |
| N07 | N06 | H1 | 123.8° | 120.0° |
| N06 | N07 | H071 | 122.9° | 120.0° |
| O05 | C04 | N06 | 119.6° | 120.0° |
| O05 | C04 | N02 | 119.2° | 120.0° |
| N06 | C04 | N02 | 121.1° | 120.0° |
| C04 | N06 | H1 | 123.8° | 120.0° |
| C04 | N02 | C03 | 119.0° | 120.0° |
| C04 | N02 | C01 | 121.5° | 120.0° |
| C03 | N02 | C01 | 119.4° | 120.0° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | C03 | H032 | 109.4° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H123 | C12 | H122 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C12 | C08 | 179.7° | 180.0° |
| C11 | N10 | C08 | O09 | 179.7° | 5.2° |
| C11 | N10 | C08 | N07 | 0.2° | 174.8° |
| N10 | C11 | H112 | H113 | 120.0° | 120.0° |
| N10 | C11 | H112 | H111 | 120.0° | 120.0° |
| N10 | C11 | H113 | H111 | 120.0° | 120.0° |
| C11 | N10 | C12 | H121 | 180.0° | 95.2° |
| C11 | N10 | C12 | H123 | 60.0° | 144.8° |
| C11 | N10 | C12 | H122 | 60.0° | 24.9° |
| C12 | N10 | C08 | O09 | 0.0° | 174.8° |
| C12 | N10 | C08 | N07 | 179.5° | 5.2° |
| C12 | N10 | C11 | H112 | 180.0° | 90.0° |
| C12 | N10 | C11 | H113 | 60.0° | 150.0° |
| C12 | N10 | C11 | H111 | 60.0° | 30.0° |
| N10 | C12 | H121 | H123 | 120.0° | 120.0° |
| N10 | C12 | H121 | H122 | 120.0° | 120.1° |
| N10 | C12 | H123 | H122 | 120.0° | 120.0° |
| N10 | C08 | O09 | N07 | 179.5° | 180.0° |
| N10 | C08 | N07 | N06 | 180.0° | 175.0° |
| C08 | N10 | C11 | H112 | 0.3° | 90.0° |
| C08 | N10 | C11 | H113 | 119.7° | 30.0° |
| C08 | N10 | C11 | H111 | 120.3° | 150.0° |
| C08 | N10 | C12 | H121 | 0.3° | 84.9° |
| C08 | N10 | C12 | H123 | 120.3° | 35.1° |
| C08 | N10 | C12 | H122 | 119.7° | 155.1° |
| N10 | C08 | N07 | H071 | 0.0° | 5.0° |
| O09 | C08 | N07 | N06 | 0.4° | 5.0° |
| O09 | C08 | N07 | H071 | 179.5° | 175.0° |
| C08 | N07 | N06 | H071 | 180.0° | 180.0° |
| C08 | N07 | N06 | C04 | 103.4° | 175.0° |
| C08 | N07 | N06 | H1 | 76.6° | 5.0° |
| N07 | N06 | C04 | O05 | 6.4° | 5.1° |
| N07 | N06 | C04 | H1 | 180.0° | 179.9° |
| N07 | N06 | C04 | N02 | 176.5° | 175.0° |
| O05 | C04 | N06 | N02 | 177.2° | 180.0° |
| O05 | C04 | N02 | C03 | 1.0° | 5.0° |
| O05 | C04 | N02 | C01 | 179.5° | 175.0° |
| O05 | C04 | N06 | H1 | 173.6° | 175.0° |
| N06 | C04 | N02 | C03 | 176.1° | 174.9° |
| N06 | C04 | N02 | C01 | 3.3° | 5.1° |
| C04 | N06 | N07 | H071 | 76.6° | 5.0° |
| C04 | N02 | C03 | C01 | 179.5° | 180.0° |
| C04 | N02 | C01 | H013 | 180.0° | 175.0° |
| C04 | N02 | C01 | H011 | 60.0° | 65.0° |
| C04 | N02 | C01 | H012 | 60.0° | 55.0° |
| C04 | N02 | C03 | H033 | 180.0° | 90.0° |
| C04 | N02 | C03 | H031 | 60.0° | 150.0° |
| C04 | N02 | C03 | H032 | 60.0° | 30.0° |
| N02 | C04 | N06 | H1 | 3.5° | 5.0° |
| C03 | N02 | C01 | H013 | 0.5° | 5.0° |
| C03 | N02 | C01 | H011 | 120.5° | 115.0° |
| C03 | N02 | C01 | H012 | 119.5° | 125.0° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| N02 | C03 | H033 | H032 | 120.0° | 120.1° |
| N02 | C03 | H031 | H032 | 120.0° | 120.1° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | N02 | C03 | H033 | 0.5° | 90.0° |
| C01 | N02 | C03 | H031 | 119.5° | 30.0° |
| C01 | N02 | C03 | H032 | 120.5° | 150.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H033 | C03 | H031 | H032 | 120.0° | 120.0° |
| H112 | C11 | H113 | H111 | 120.0° | 120.0° |
| H121 | C12 | H123 | H122 | 120.0° | 120.0° |
| H1 | N06 | N07 | H071 | 103.4° | 174.9° |
