ZDL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C07 | sing | 1.48Å | 1.35Å | |
| N05 | C04 | sing | 1.48Å | 1.32Å | |
| C07 | N02 | sing | 1.48Å | 1.35Å | |
| C04 | C03 | sing | 1.55Å | 1.36Å | |
| N02 | C03 | sing | 1.49Å | 1.31Å | |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | N05 | C07 | 127.2° | 111.0° |
| C06 | N05 | C04 | 125.1° | 111.0° |
| N05 | C06 | H10 | 109.5° | 109.5° |
| N05 | C06 | H11 | 109.5° | 109.4° |
| N05 | C06 | H12 | 109.5° | 109.5° |
| C07 | N05 | C04 | 106.7° | 107.0° |
| N05 | C07 | N02 | 106.7° | 107.9° |
| N05 | C07 | H13 | 110.2° | 109.7° |
| N05 | C07 | H14 | 110.2° | 109.7° |
| N05 | C04 | C03 | 107.0° | 103.5° |
| N05 | C04 | H7 | 110.1° | 110.6° |
| N05 | C04 | H8 | 110.1° | 110.7° |
| C07 | N02 | C03 | 107.0° | 104.6° |
| C07 | N02 | C01 | 125.2° | 111.0° |
| N02 | C07 | H13 | 110.2° | 109.8° |
| N02 | C07 | H14 | 110.2° | 109.8° |
| C04 | C03 | N02 | 105.5° | 102.2° |
| C04 | C03 | H5 | 110.5° | 110.9° |
| C04 | C03 | H6 | 110.5° | 111.0° |
| C03 | C04 | H7 | 110.1° | 110.6° |
| C03 | C04 | H8 | 110.1° | 110.6° |
| C03 | N02 | C01 | 122.3° | 111.0° |
| N02 | C03 | H5 | 110.5° | 110.9° |
| N02 | C03 | H6 | 110.5° | 110.9° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 110.7° |
| H7 | C04 | H8 | 109.5° | 110.6° |
| H10 | C06 | H11 | 109.5° | 109.4° |
| H10 | C06 | H12 | 109.4° | 109.5° |
| H11 | C06 | H12 | 109.4° | 109.4° |
| H13 | C07 | H14 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | N05 | C07 | C04 | 169.2° | 121.3° |
| C06 | N05 | C07 | N02 | 169.3° | 120.9° |
| C06 | N05 | C04 | C03 | 153.7° | 143.6° |
| C06 | N05 | C04 | H7 | 34.1° | 97.9° |
| C06 | N05 | C04 | H8 | 86.7° | 25.1° |
| N05 | C06 | H10 | H11 | 120.0° | 119.9° |
| N05 | C06 | H10 | H12 | 120.0° | 120.1° |
| N05 | C06 | H11 | H12 | 120.0° | 120.0° |
| C06 | N05 | C07 | H13 | 71.1° | 1.3° |
| C06 | N05 | C07 | H14 | 49.7° | 119.5° |
| N05 | C07 | N02 | H13 | 119.6° | 119.6° |
| N05 | C07 | N02 | H14 | 119.6° | 119.5° |
| C07 | N05 | C04 | C03 | 15.7° | 22.3° |
| N05 | C07 | N02 | C03 | 16.6° | 24.0° |
| N05 | C07 | N02 | C01 | 137.6° | 143.8° |
| C07 | N05 | C04 | H7 | 135.3° | 140.9° |
| C07 | N05 | C04 | H8 | 103.9° | 96.2° |
| C07 | N05 | C06 | H10 | 180.0° | 59.9° |
| C07 | N05 | C06 | H11 | 60.0° | 179.9° |
| C07 | N05 | C06 | H12 | 60.0° | 60.2° |
| N05 | C07 | H13 | H14 | 121.2° | 120.7° |
| C04 | N05 | C07 | N02 | 0.1° | 0.3° |
| N05 | C04 | C03 | H7 | 119.6° | 118.5° |
| N05 | C04 | C03 | H8 | 119.6° | 118.6° |
| N05 | C04 | C03 | N02 | 26.2° | 36.5° |
| N05 | C04 | C03 | H5 | 93.2° | 81.7° |
| N05 | C04 | C03 | H6 | 145.6° | 154.8° |
| N05 | C04 | H7 | H8 | 121.1° | 123.1° |
| C04 | N05 | C06 | H10 | 12.7° | 178.8° |
| C04 | N05 | C06 | H11 | 107.3° | 61.2° |
| C04 | N05 | C06 | H12 | 132.7° | 58.7° |
| C04 | N05 | C07 | H13 | 119.7° | 120.0° |
| C04 | N05 | C07 | H14 | 119.5° | 119.2° |
| C07 | N02 | C03 | C04 | 26.1° | 36.8° |
| C07 | N02 | C03 | C01 | 155.1° | 119.8° |
| C07 | N02 | C01 | H1 | 180.0° | 55.8° |
| C07 | N02 | C01 | H2 | 60.0° | 64.1° |
| C07 | N02 | C01 | H3 | 60.0° | 175.9° |
| C07 | N02 | C03 | H5 | 93.3° | 81.4° |
| C07 | N02 | C03 | H6 | 145.4° | 155.2° |
| N02 | C07 | H13 | H14 | 121.3° | 120.9° |
| C04 | C03 | N02 | H5 | 119.4° | 118.2° |
| C04 | C03 | N02 | H6 | 119.4° | 118.4° |
| C04 | C03 | N02 | C01 | 129.0° | 156.6° |
| C04 | C03 | H5 | H6 | 121.8° | 123.7° |
| C03 | C04 | H7 | H8 | 121.2° | 122.8° |
| C03 | N02 | C01 | H1 | 29.6° | 60.0° |
| C03 | N02 | C01 | H2 | 90.4° | 180.0° |
| C03 | N02 | C01 | H3 | 149.6° | 60.0° |
| N02 | C03 | H5 | H6 | 121.9° | 123.5° |
| N02 | C03 | C04 | H7 | 145.8° | 155.1° |
| N02 | C03 | C04 | H8 | 93.4° | 82.1° |
| C03 | N02 | C07 | H13 | 136.2° | 143.6° |
| C03 | N02 | C07 | H14 | 103.0° | 95.5° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H5 | 111.6° | 38.4° |
| C01 | N02 | C03 | H6 | 9.6° | 85.0° |
| C01 | N02 | C07 | H13 | 18.0° | 96.6° |
| C01 | N02 | C07 | H14 | 102.9° | 24.2° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H5 | C03 | C04 | H7 | 26.4° | 36.9° |
| H5 | C03 | C04 | H8 | 147.2° | 159.7° |
| H6 | C03 | C04 | H7 | 94.8° | 86.7° |
| H6 | C03 | C04 | H8 | 26.0° | 36.2° |
| H10 | C06 | H11 | H12 | 119.9° | 120.0° |






