NWG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C09 | sing | 1.38Å | 1.44Å | |
| C09 | N08 | doub | 1.30Å | 1.48Å | |
| C09 | N10 | sing | 1.37Å | 1.33Å | |
| N08 | C07 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| O04 | C02 | doub | 1.21Å | 1.28Å | |
| C05 | C01 | sing | 1.51Å | 1.58Å | |
| C02 | C01 | sing | 1.49Å | 1.54Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C01 | O12 | doub | 1.21Å | 1.24Å | |
| C05 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| N10 | H7 | sing | 0.97Å | 1.00Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å | |
| O03 | H9 | sing | 0.97Å | 0.95Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C09 | N08 | 119.5° | 120.0° |
| N11 | C09 | N10 | 117.7° | 120.0° |
| C09 | N11 | H8 | 120.0° | 119.9° |
| C09 | N11 | H11 | 120.0° | 120.0° |
| N08 | C09 | N10 | 122.7° | 120.0° |
| C09 | N08 | C07 | 129.6° | 120.0° |
| C09 | N10 | H6 | 120.0° | 120.0° |
| C09 | N10 | H7 | 120.0° | 120.0° |
| N08 | C07 | C06 | 118.4° | 109.5° |
| N08 | C07 | H5 | 107.2° | 109.5° |
| N08 | C07 | H10 | 107.2° | 109.5° |
| C07 | C06 | C05 | 122.2° | 109.5° |
| C07 | C06 | H3 | 106.2° | 109.4° |
| C07 | C06 | H4 | 106.2° | 109.4° |
| C06 | C07 | H5 | 107.2° | 109.4° |
| C06 | C07 | H10 | 107.2° | 109.4° |
| C06 | C05 | C01 | 108.9° | 109.5° |
| C06 | C05 | H1 | 109.6° | 109.4° |
| C06 | C05 | H2 | 109.6° | 109.5° |
| C05 | C06 | H3 | 106.2° | 109.5° |
| C05 | C06 | H4 | 106.2° | 109.5° |
| O04 | C02 | C01 | 120.5° | 120.0° |
| O04 | C02 | O03 | 124.4° | 120.0° |
| C05 | C01 | C02 | 119.8° | 120.0° |
| C05 | C01 | O12 | 127.2° | 120.0° |
| C01 | C05 | H1 | 109.6° | 109.5° |
| C01 | C05 | H2 | 109.6° | 109.5° |
| C01 | C02 | O03 | 115.1° | 120.0° |
| C02 | C01 | O12 | 112.9° | 120.0° |
| C02 | O03 | H9 | 109.5° | 117.0° |
| H1 | C05 | H2 | 109.5° | 109.5° |
| H3 | C06 | H4 | 109.5° | 109.5° |
| H5 | C07 | H10 | 109.4° | 109.5° |
| H6 | N10 | H7 | 120.0° | 120.0° |
| H8 | N11 | H11 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C09 | N08 | N10 | 179.4° | 180.0° |
| N11 | C09 | N08 | C07 | 178.6° | 173.7° |
| N11 | C09 | N10 | H6 | 179.5° | 170.2° |
| N11 | C09 | N10 | H7 | 0.6° | 9.9° |
| C09 | N11 | H8 | H11 | 180.0° | 180.0° |
| C09 | N08 | C07 | C06 | 168.2° | 116.8° |
| C09 | N08 | C07 | H5 | 70.5° | 3.2° |
| N08 | C09 | N10 | H6 | 0.0° | 9.8° |
| N08 | C09 | N10 | H7 | 180.0° | 170.2° |
| N08 | C09 | N11 | H8 | 179.4° | 0.0° |
| C09 | N08 | C07 | H10 | 46.9° | 123.2° |
| N08 | C09 | N11 | H11 | 0.5° | 180.0° |
| N10 | C09 | N08 | C07 | 0.9° | 6.3° |
| C09 | N10 | H6 | H7 | 180.0° | 180.0° |
| N10 | C09 | N11 | H8 | 0.0° | 180.0° |
| N10 | C09 | N11 | H11 | 180.0° | 0.0° |
| N08 | C07 | C06 | H5 | 121.3° | 120.0° |
| N08 | C07 | C06 | H10 | 121.3° | 120.0° |
| N08 | C07 | C06 | C05 | 160.1° | 180.0° |
| N08 | C07 | C06 | H3 | 78.1° | 60.0° |
| N08 | C07 | C06 | H4 | 38.4° | 60.0° |
| N08 | C07 | H5 | H10 | 116.0° | 120.0° |
| C07 | C06 | C05 | H3 | 121.8° | 120.0° |
| C07 | C06 | C05 | H4 | 121.8° | 120.0° |
| C07 | C06 | C05 | C01 | 33.1° | 180.0° |
| C07 | C06 | C05 | H1 | 152.9° | 60.0° |
| C07 | C06 | C05 | H2 | 86.9° | 60.0° |
| C07 | C06 | H3 | H4 | 114.3° | 120.0° |
| C06 | C07 | H5 | H10 | 116.0° | 120.0° |
| C06 | C05 | C01 | H1 | 119.9° | 119.9° |
| C06 | C05 | C01 | H2 | 119.9° | 120.0° |
| C06 | C05 | C01 | C02 | 79.9° | 179.8° |
| C06 | C05 | C01 | O12 | 96.5° | 0.1° |
| C06 | C05 | H1 | H2 | 120.3° | 120.0° |
| C05 | C06 | H3 | H4 | 114.2° | 120.1° |
| C05 | C06 | C07 | H5 | 38.9° | 60.0° |
| C05 | C06 | C07 | H10 | 78.6° | 60.0° |
| O04 | C02 | C01 | C05 | 7.8° | 0.2° |
| O04 | C02 | C01 | O03 | 179.9° | 179.9° |
| O04 | C02 | C01 | O12 | 175.3° | 179.9° |
| O04 | C02 | O03 | H9 | 0.0° | 0.0° |
| C05 | C01 | C02 | O12 | 176.9° | 179.7° |
| C05 | C01 | C02 | O03 | 172.3° | 179.7° |
| C01 | C05 | H1 | H2 | 120.3° | 120.1° |
| C01 | C05 | C06 | H3 | 88.7° | 60.1° |
| C01 | C05 | C06 | H4 | 154.8° | 60.0° |
| C02 | C01 | C05 | H1 | 40.1° | 60.3° |
| C02 | C01 | C05 | H2 | 160.2° | 59.7° |
| C01 | C02 | O03 | H9 | 179.8° | 179.9° |
| O03 | C02 | C01 | O12 | 4.6° | 0.0° |
| O12 | C01 | C05 | H1 | 143.5° | 120.0° |
| O12 | C01 | C05 | H2 | 23.4° | 120.0° |
| H1 | C05 | C06 | H3 | 31.2° | 180.0° |
| H1 | C05 | C06 | H4 | 85.3° | 60.0° |
| H2 | C05 | C06 | H3 | 151.4° | 60.0° |
| H2 | C05 | C06 | H4 | 34.9° | 180.0° |
| H3 | C06 | C07 | H5 | 160.6° | 180.0° |
| H3 | C06 | C07 | H10 | 43.2° | 60.0° |
| H4 | C06 | C07 | H5 | 82.9° | 60.0° |
| H4 | C06 | C07 | H10 | 159.7° | 180.0° |
