WZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.48Å | |
| C1 | N2 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| N2 | C4 | sing | 1.47Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| O1 | C8 | doub | 1.21Å | 1.23Å | |
| N1 | C8 | sing | 1.35Å | 1.34Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C5 | C6 | 111.6° | 109.5° |
| C7 | C5 | N2 | 114.5° | 109.4° |
| C7 | C5 | H9 | 106.5° | 109.5° |
| C5 | C7 | H14 | 109.5° | 109.4° |
| C5 | C7 | H15 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.4° |
| C6 | C5 | N2 | 110.3° | 109.5° |
| C6 | C5 | H9 | 106.5° | 109.5° |
| C5 | C6 | H12 | 109.5° | 109.4° |
| C5 | C6 | H10 | 109.5° | 109.4° |
| C5 | C6 | H11 | 109.5° | 109.4° |
| C5 | N2 | C1 | 108.6° | 111.0° |
| C5 | N2 | C4 | 111.5° | 111.0° |
| N2 | C5 | H9 | 107.0° | 109.4° |
| N2 | C1 | C2 | 110.9° | 109.3° |
| C1 | N2 | C4 | 109.0° | 111.2° |
| N2 | C1 | H1 | 109.1° | 109.5° |
| N2 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | N1 | 110.1° | 108.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C2 | C1 | H2 | 109.1° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.6° |
| C1 | C2 | H3 | 109.3° | 109.6° |
| N2 | C4 | C3 | 111.8° | 109.3° |
| N2 | C4 | H8 | 108.9° | 109.4° |
| N2 | C4 | H7 | 108.9° | 109.5° |
| C2 | N1 | C8 | 121.0° | 120.9° |
| C2 | N1 | C3 | 112.6° | 118.2° |
| N1 | C2 | H4 | 109.3° | 109.7° |
| N1 | C2 | H3 | 109.3° | 109.6° |
| C4 | C3 | N1 | 110.8° | 108.5° |
| C3 | C4 | H8 | 108.9° | 109.5° |
| C3 | C4 | H7 | 108.9° | 109.5° |
| C4 | C3 | H6 | 109.2° | 109.7° |
| C4 | C3 | H5 | 109.1° | 109.6° |
| O1 | C8 | N1 | 120.3° | 120.0° |
| O1 | C8 | C9 | 120.0° | 120.0° |
| C8 | N1 | C3 | 125.6° | 120.8° |
| N1 | C8 | C9 | 119.8° | 120.0° |
| N1 | C3 | H6 | 109.2° | 109.7° |
| N1 | C3 | H5 | 109.2° | 109.6° |
| C8 | C9 | C10 | 108.3° | 109.5° |
| C8 | C9 | C11 | 108.1° | 109.5° |
| C8 | C9 | H16 | 109.7° | 109.5° |
| C10 | C9 | C11 | 111.7° | 109.5° |
| C10 | C9 | H16 | 109.5° | 109.4° |
| C9 | C10 | H18 | 109.5° | 109.4° |
| C9 | C10 | H19 | 109.5° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C9 | C11 | H21 | 109.5° | 109.4° |
| C9 | C11 | H22 | 109.5° | 109.5° |
| C9 | C11 | H20 | 109.5° | 109.5° |
| C11 | C9 | H16 | 109.5° | 109.4° |
| H8 | C4 | H7 | 109.5° | 109.5° |
| H12 | C6 | H10 | 109.5° | 109.5° |
| H12 | C6 | H11 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.4° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.4° |
| H21 | C11 | H20 | 109.5° | 109.5° |
| H22 | C11 | H20 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.4° | 109.5° |
| H14 | C7 | H13 | 109.5° | 109.5° |
| H15 | C7 | H13 | 109.5° | 109.5° |
| H18 | C10 | H19 | 109.5° | 109.5° |
| H18 | C10 | H17 | 109.5° | 109.4° |
| H19 | C10 | H17 | 109.4° | 109.5° |
| H6 | C3 | H5 | 109.5° | 109.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C2 | H3 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C5 | C6 | N2 | 128.4° | 120.0° |
| C7 | C5 | C6 | H9 | 115.8° | 120.0° |
| C7 | C5 | N2 | H9 | 117.8° | 119.9° |
| C7 | C5 | N2 | C1 | 57.3° | 59.3° |
| C7 | C5 | N2 | C4 | 177.4° | 64.9° |
| C7 | C5 | C6 | H12 | 180.0° | 60.0° |
| C7 | C5 | C6 | H10 | 60.0° | 60.0° |
| C7 | C5 | C6 | H11 | 60.0° | 180.0° |
| C5 | C7 | H14 | H15 | 120.0° | 120.0° |
| C5 | C7 | H14 | H13 | 120.0° | 120.0° |
| C5 | C7 | H15 | H13 | 120.0° | 120.0° |
| C6 | C5 | N2 | H9 | 115.4° | 120.0° |
| C6 | C5 | N2 | C1 | 175.9° | 60.7° |
| C6 | C5 | N2 | C4 | 55.8° | 175.0° |
| C5 | C6 | H12 | H10 | 120.1° | 119.9° |
| C5 | C6 | H12 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | C7 | H14 | 180.0° | 60.0° |
| C6 | C5 | C7 | H15 | 60.0° | 180.0° |
| C6 | C5 | C7 | H13 | 60.0° | 60.0° |
| C5 | N2 | C1 | C4 | 121.7° | 124.2° |
| C5 | N2 | C1 | C2 | 178.5° | 172.8° |
| C5 | N2 | C4 | C3 | 177.9° | 172.7° |
| C5 | N2 | C4 | H8 | 61.7° | 52.8° |
| C5 | N2 | C4 | H7 | 57.6° | 67.3° |
| N2 | C5 | C6 | H12 | 51.6° | 60.0° |
| N2 | C5 | C6 | H10 | 68.5° | 180.0° |
| N2 | C5 | C6 | H11 | 171.6° | 60.0° |
| N2 | C5 | C7 | H14 | 53.8° | 60.0° |
| N2 | C5 | C7 | H15 | 173.8° | 60.0° |
| N2 | C5 | C7 | H13 | 66.2° | 180.0° |
| C5 | N2 | C1 | H1 | 61.3° | 67.3° |
| C5 | N2 | C1 | H2 | 58.2° | 52.8° |
| N2 | C1 | C2 | H1 | 120.2° | 119.9° |
| N2 | C1 | C2 | H2 | 120.2° | 120.0° |
| N2 | C1 | C2 | N1 | 58.4° | 53.8° |
| C1 | N2 | C4 | C3 | 58.0° | 63.1° |
| C1 | N2 | C4 | H8 | 178.3° | 176.9° |
| C1 | N2 | C4 | H7 | 62.4° | 56.9° |
| C1 | N2 | C5 | H9 | 60.5° | 179.3° |
| N2 | C1 | H1 | H2 | 119.3° | 120.1° |
| N2 | C1 | C2 | H4 | 178.4° | 65.9° |
| N2 | C1 | C2 | H3 | 61.7° | 173.6° |
| C2 | C1 | N2 | C4 | 59.8° | 63.1° |
| C1 | C2 | N1 | H4 | 120.1° | 119.7° |
| C1 | C2 | N1 | H3 | 120.1° | 119.7° |
| C1 | C2 | N1 | C8 | 115.6° | 128.9° |
| C1 | C2 | N1 | C3 | 54.6° | 51.2° |
| C2 | C1 | H1 | H2 | 119.3° | 120.1° |
| C1 | C2 | H4 | H3 | 119.8° | 120.4° |
| N2 | C4 | C3 | H8 | 120.4° | 119.9° |
| N2 | C4 | C3 | H7 | 120.3° | 120.0° |
| N2 | C4 | C3 | N1 | 54.4° | 53.9° |
| N2 | C4 | H8 | H7 | 118.9° | 120.1° |
| C4 | N2 | C5 | H9 | 59.6° | 55.0° |
| N2 | C4 | C3 | H6 | 65.8° | 65.8° |
| N2 | C4 | C3 | H5 | 174.7° | 173.6° |
| C4 | N2 | C1 | H1 | 60.4° | 56.8° |
| C4 | N2 | C1 | H2 | 179.9° | 176.9° |
| C2 | N1 | C3 | C4 | 52.8° | 51.3° |
| C2 | N1 | C8 | O1 | 1.5° | 174.7° |
| C2 | N1 | C8 | C3 | 168.9° | 179.9° |
| C2 | N1 | C8 | C9 | 178.1° | 5.2° |
| C2 | N1 | C3 | H6 | 67.4° | 68.4° |
| C2 | N1 | C3 | H5 | 172.9° | 170.9° |
| N1 | C2 | C1 | H1 | 61.9° | 66.1° |
| N1 | C2 | C1 | H2 | 178.6° | 173.8° |
| N1 | C2 | H4 | H3 | 119.7° | 120.5° |
| C4 | C3 | N1 | C8 | 116.9° | 128.8° |
| C4 | C3 | N1 | H6 | 120.2° | 119.7° |
| C4 | C3 | N1 | H5 | 120.2° | 119.6° |
| C3 | C4 | H8 | H7 | 119.0° | 120.1° |
| C4 | C3 | H6 | H5 | 119.4° | 120.5° |
| O1 | C8 | N1 | C9 | 179.6° | 180.0° |
| O1 | C8 | N1 | C3 | 170.4° | 5.4° |
| O1 | C8 | C9 | C10 | 76.3° | 25.8° |
| O1 | C8 | C9 | C11 | 44.8° | 94.2° |
| O1 | C8 | C9 | H16 | 164.2° | 145.8° |
| N1 | C8 | C9 | C10 | 103.3° | 154.2° |
| N1 | C8 | C9 | C11 | 135.5° | 85.8° |
| N1 | C8 | C9 | H16 | 16.2° | 34.2° |
| C8 | N1 | C3 | H6 | 122.8° | 111.4° |
| C8 | N1 | C3 | H5 | 3.2° | 9.2° |
| C8 | N1 | C2 | H4 | 4.5° | 111.4° |
| C8 | N1 | C2 | H3 | 124.3° | 9.2° |
| C3 | N1 | C8 | C9 | 9.2° | 174.6° |
| N1 | C3 | C4 | H8 | 174.8° | 173.8° |
| N1 | C3 | C4 | H7 | 65.9° | 66.1° |
| N1 | C3 | H6 | H5 | 119.4° | 120.5° |
| C3 | N1 | C2 | H4 | 174.7° | 68.4° |
| C3 | N1 | C2 | H3 | 65.5° | 170.9° |
| C8 | C9 | C10 | C11 | 118.9° | 120.0° |
| C8 | C9 | C10 | H16 | 119.6° | 120.0° |
| C8 | C9 | C11 | H16 | 119.5° | 120.0° |
| C8 | C9 | C11 | H21 | 180.0° | 65.0° |
| C8 | C9 | C11 | H22 | 60.0° | 54.9° |
| C8 | C9 | C11 | H20 | 60.0° | 175.0° |
| C8 | C9 | C10 | H18 | 180.0° | 60.0° |
| C8 | C9 | C10 | H19 | 60.0° | 180.0° |
| C8 | C9 | C10 | H17 | 60.0° | 60.0° |
| C10 | C9 | C11 | H16 | 121.5° | 119.9° |
| C10 | C9 | C11 | H21 | 61.0° | 55.1° |
| C10 | C9 | C11 | H22 | 59.0° | 175.0° |
| C10 | C9 | C11 | H20 | 179.0° | 65.0° |
| C9 | C10 | H18 | H19 | 120.0° | 120.0° |
| C9 | C10 | H18 | H17 | 120.0° | 119.9° |
| C9 | C10 | H19 | H17 | 120.0° | 120.0° |
| C9 | C11 | H21 | H22 | 120.0° | 119.9° |
| C9 | C11 | H21 | H20 | 120.0° | 120.0° |
| C9 | C11 | H22 | H20 | 120.0° | 120.0° |
| C11 | C9 | C10 | H18 | 61.1° | 60.1° |
| C11 | C9 | C10 | H19 | 178.9° | 60.0° |
| C11 | C9 | C10 | H17 | 58.9° | 180.0° |
| H8 | C4 | C3 | H6 | 54.6° | 54.1° |
| H8 | C4 | C3 | H5 | 65.0° | 66.6° |
| H7 | C4 | C3 | H6 | 173.9° | 174.2° |
| H7 | C4 | C3 | H5 | 54.3° | 53.6° |
| H9 | C5 | C6 | H12 | 64.1° | 180.0° |
| H9 | C5 | C6 | H10 | 175.8° | 60.0° |
| H9 | C5 | C6 | H11 | 55.9° | 60.0° |
| H9 | C5 | C7 | H14 | 64.2° | 180.0° |
| H9 | C5 | C7 | H15 | 55.8° | 59.9° |
| H9 | C5 | C7 | H13 | 175.8° | 60.1° |
| H12 | C6 | H10 | H11 | 120.0° | 120.1° |
| H21 | C11 | H22 | H20 | 120.0° | 120.1° |
| H21 | C11 | C9 | H16 | 60.5° | 175.0° |
| H22 | C11 | C9 | H16 | 179.5° | 65.1° |
| H20 | C11 | C9 | H16 | 59.5° | 55.0° |
| H14 | C7 | H15 | H13 | 120.0° | 120.0° |
| H16 | C9 | C10 | H18 | 60.4° | 180.0° |
| H16 | C9 | C10 | H19 | 59.6° | 60.0° |
| H16 | C9 | C10 | H17 | 179.6° | 60.1° |
| H18 | C10 | H19 | H17 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 58.2° | 174.2° |
| H1 | C1 | C2 | H3 | 178.1° | 53.6° |
| H2 | C1 | C2 | H4 | 61.3° | 54.1° |
| H2 | C1 | C2 | H3 | 58.5° | 66.4° |
