SWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C02 | C03 | sing | 1.51Å | 1.52Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| O12 | C09 | doub | 1.21Å | 1.18Å | |
| C04 | N08 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.35Å | 1.45Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | trip | 1.17Å | 1.19Å | |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C10 | N11 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.05Å | 1.06Å | |
| N08 | H10 | sing | 0.97Å | 1.00Å | |
| N11 | H11 | sing | 1.01Å | 1.00Å | |
| N11 | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 119.4° | 120.0° |
| O01 | C02 | C04 | 120.4° | 119.9° |
| C03 | C02 | C04 | 120.2° | 120.1° |
| C02 | C03 | H3 | 109.5° | 109.5° |
| C02 | C03 | H4 | 109.4° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.4° |
| C02 | C04 | N08 | 109.6° | 109.5° |
| C02 | C04 | C05 | 109.4° | 109.5° |
| C02 | C04 | H6 | 109.1° | 109.4° |
| O12 | C09 | N08 | 119.9° | 120.0° |
| O12 | C09 | C10 | 119.9° | 120.0° |
| N08 | C04 | C05 | 109.4° | 109.5° |
| C04 | N08 | C09 | 120.0° | 120.0° |
| N08 | C04 | H6 | 110.2° | 109.5° |
| C04 | N08 | H10 | 119.9° | 120.0° |
| C04 | C05 | C06 | 112.2° | 109.5° |
| C05 | C04 | H6 | 109.2° | 109.4° |
| C04 | C05 | H7 | 108.8° | 109.5° |
| C04 | C05 | H8 | 108.8° | 109.5° |
| N08 | C09 | C10 | 120.2° | 120.0° |
| C09 | N08 | H10 | 120.0° | 120.0° |
| C09 | C10 | N11 | 110.5° | 109.5° |
| C09 | C10 | H1 | 109.2° | 109.5° |
| C09 | C10 | H2 | 109.2° | 109.5° |
| C07 | C06 | C05 | 180.0° | 180.0° |
| C06 | C07 | H9 | 180.0° | 180.0° |
| C06 | C05 | H7 | 108.8° | 109.4° |
| C06 | C05 | H8 | 108.8° | 109.5° |
| N11 | C10 | H1 | 109.2° | 109.5° |
| N11 | C10 | H2 | 109.2° | 109.5° |
| C10 | N11 | H11 | 109.5° | 111.0° |
| C10 | N11 | H12 | 109.4° | 111.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C03 | H4 | 109.5° | 109.5° |
| H3 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.4° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H11 | N11 | H12 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C04 | N08 | 166.2° | 15.0° |
| O01 | C02 | C04 | C05 | 73.8° | 105.0° |
| O01 | C02 | C03 | H3 | 0.0° | 90.0° |
| O01 | C02 | C03 | H4 | 120.0° | 30.0° |
| O01 | C02 | C03 | H5 | 120.0° | 150.0° |
| O01 | C02 | C04 | H6 | 45.5° | 135.0° |
| C03 | C02 | C04 | N08 | 13.8° | 165.0° |
| C03 | C02 | C04 | C05 | 106.1° | 75.0° |
| C02 | C03 | H3 | H4 | 120.0° | 120.1° |
| C02 | C03 | H3 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.0° |
| C03 | C02 | C04 | H6 | 134.6° | 45.0° |
| C02 | C04 | N08 | C05 | 119.9° | 120.0° |
| C02 | C04 | N08 | H6 | 120.1° | 120.0° |
| C02 | C04 | C05 | H6 | 119.3° | 119.9° |
| C02 | C04 | N08 | C09 | 106.6° | 85.0° |
| C02 | C04 | C05 | C06 | 114.7° | 175.0° |
| C04 | C02 | C03 | H3 | 179.9° | 90.0° |
| C04 | C02 | C03 | H4 | 59.9° | 150.0° |
| C04 | C02 | C03 | H5 | 60.1° | 30.0° |
| C02 | C04 | C05 | H7 | 124.9° | 65.1° |
| C02 | C04 | C05 | H8 | 5.7° | 55.0° |
| C02 | C04 | N08 | H10 | 73.4° | 95.0° |
| O12 | C09 | N08 | C04 | 0.2° | 0.0° |
| O12 | C09 | N08 | C10 | 179.7° | 179.9° |
| O12 | C09 | C10 | N11 | 150.5° | 0.1° |
| O12 | C09 | C10 | H1 | 30.3° | 120.0° |
| O12 | C09 | C10 | H2 | 89.4° | 120.0° |
| O12 | C09 | N08 | H10 | 179.7° | 180.0° |
| N08 | C04 | C05 | H6 | 120.6° | 120.0° |
| C04 | N08 | C09 | H10 | 180.0° | 180.0° |
| C04 | N08 | C09 | C10 | 179.9° | 180.0° |
| N08 | C04 | C05 | C06 | 125.2° | 65.0° |
| N08 | C04 | C05 | H7 | 4.8° | 55.0° |
| N08 | C04 | C05 | H8 | 114.4° | 175.0° |
| C05 | C04 | N08 | C09 | 133.5° | 155.0° |
| C04 | C05 | C06 | C07 | 3.2° | 36.1° |
| C04 | C05 | C06 | H7 | 120.4° | 120.0° |
| C04 | C05 | C06 | H8 | 120.4° | 120.0° |
| C04 | C05 | H7 | H8 | 118.8° | 120.1° |
| C05 | C04 | N08 | H10 | 46.5° | 25.0° |
| N08 | C09 | C10 | N11 | 29.9° | 180.0° |
| N08 | C09 | C10 | H1 | 150.0° | 59.9° |
| N08 | C09 | C10 | H2 | 90.3° | 60.0° |
| C09 | N08 | C04 | H6 | 13.5° | 35.0° |
| C09 | C10 | N11 | H1 | 120.2° | 120.0° |
| C09 | C10 | N11 | H2 | 120.2° | 120.0° |
| C09 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | C09 | N08 | H10 | 0.1° | 0.0° |
| C09 | C10 | N11 | H11 | 180.0° | 180.0° |
| C09 | C10 | N11 | H12 | 60.0° | 56.0° |
| C07 | C06 | C05 | H7 | 117.2° | 156.1° |
| C07 | C06 | C05 | H8 | 123.6° | 83.9° |
| C06 | C05 | C04 | H6 | 4.6° | 55.0° |
| C06 | C05 | H7 | H8 | 118.7° | 120.0° |
| C05 | C06 | C07 | H9 | 133.1° | 156.9° |
| N11 | C10 | H1 | H2 | 119.5° | 120.0° |
| C10 | N11 | H11 | H12 | 120.0° | 124.0° |
| H1 | C10 | N11 | H11 | 59.8° | 60.0° |
| H1 | C10 | N11 | H12 | 179.8° | 176.1° |
| H2 | C10 | N11 | H11 | 59.9° | 60.0° |
| H2 | C10 | N11 | H12 | 60.2° | 64.0° |
| H3 | C03 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | C05 | H7 | 115.8° | 175.0° |
| H6 | C04 | C05 | H8 | 125.0° | 64.9° |
| H6 | C04 | N08 | H10 | 166.5° | 145.0° |
