ZSP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C13 | sing | 1.37Å | 1.33Å | |
| C13 | N12 | doub | 1.32Å | 1.34Å | |
| C13 | N15 | sing | 1.36Å | 1.35Å | |
| N12 | C09 | sing | 1.33Å | 1.34Å | |
| N15 | C16 | sing | 1.35Å | 1.35Å | |
| C09 | N10 | sing | 1.38Å | 1.35Å | |
| C09 | C08 | doub | 1.40Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| C16 | C08 | sing | 1.41Å | 1.38Å | |
| C16 | O17 | doub | 1.22Å | 1.24Å | |
| C08 | N07 | sing | 1.36Å | 1.34Å | |
| C11 | C06 | sing | 1.51Å | 1.51Å | |
| N07 | C06 | doub | 1.31Å | 1.36Å | |
| C06 | C04 | sing | 1.46Å | 1.48Å | |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| C02 | C04 | doub | 1.35Å | 1.31Å | |
| C02 | O03 | sing | 1.36Å | 1.32Å | |
| C04 | O05 | sing | 1.36Å | 1.32Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| O05 | H5 | sing | 0.97Å | 0.95Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| N14 | H7 | sing | 0.97Å | 1.00Å | |
| N14 | H8 | sing | 0.97Å | 1.00Å | |
| N15 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | N12 | 118.6° | 119.1° |
| N14 | C13 | N15 | 121.3° | 119.1° |
| C13 | N14 | H7 | 120.0° | 120.0° |
| C13 | N14 | H8 | 120.0° | 120.0° |
| N12 | C13 | N15 | 120.0° | 121.9° |
| C13 | N12 | C09 | 121.8° | 120.9° |
| C13 | N15 | C16 | 119.6° | 120.4° |
| C13 | N15 | H9 | 120.2° | 119.8° |
| N12 | C09 | N10 | 118.9° | 121.7° |
| N12 | C09 | C08 | 119.5° | 120.0° |
| N15 | C16 | C08 | 120.8° | 118.3° |
| N15 | C16 | O17 | 120.7° | 120.8° |
| C16 | N15 | H9 | 120.2° | 119.8° |
| N10 | C09 | C08 | 121.5° | 118.4° |
| C09 | N10 | C11 | 122.3° | 117.3° |
| C09 | N10 | H11 | 106.2° | 121.3° |
| C09 | C08 | C16 | 118.1° | 118.5° |
| C09 | C08 | N07 | 121.2° | 120.0° |
| N10 | C11 | C06 | 112.4° | 109.0° |
| N10 | C11 | H6 | 108.7° | 109.5° |
| N10 | C11 | H10 | 108.7° | 109.7° |
| C11 | N10 | H11 | 106.2° | 121.3° |
| C08 | C16 | O17 | 118.4° | 120.9° |
| C16 | C08 | N07 | 120.7° | 121.5° |
| C08 | N07 | C06 | 120.8° | 121.4° |
| C11 | C06 | N07 | 121.7° | 121.2° |
| C11 | C06 | C04 | 124.0° | 119.4° |
| C06 | C11 | H6 | 108.7° | 109.5° |
| C06 | C11 | H10 | 108.7° | 109.6° |
| N07 | C06 | C04 | 114.1° | 119.4° |
| C06 | C04 | C02 | 122.6° | 120.0° |
| C06 | C04 | O05 | 122.0° | 120.0° |
| C01 | C02 | C04 | 126.1° | 120.0° |
| C01 | C02 | O03 | 118.5° | 120.0° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C02 | C01 | H4 | 109.4° | 109.5° |
| C04 | C02 | O03 | 115.3° | 120.0° |
| C02 | C04 | O05 | 113.6° | 120.0° |
| C02 | O03 | H1 | 109.5° | 114.0° |
| C04 | O05 | H5 | 109.5° | 114.0° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H4 | 109.5° | 109.5° |
| H3 | C01 | H4 | 109.5° | 109.4° |
| H6 | C11 | H10 | 109.5° | 109.5° |
| H7 | N14 | H8 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | N12 | N15 | 177.6° | 179.6° |
| N14 | C13 | N12 | C09 | 178.8° | 180.0° |
| N14 | C13 | N15 | C16 | 178.9° | 180.0° |
| C13 | N14 | H7 | H8 | 180.0° | 179.9° |
| N14 | C13 | N15 | H9 | 1.2° | 0.6° |
| N12 | C13 | N15 | C16 | 3.6° | 0.5° |
| C13 | N12 | C09 | N10 | 178.6° | 179.6° |
| C13 | N12 | C09 | C08 | 0.9° | 0.4° |
| N12 | C13 | N14 | H7 | 0.0° | 0.1° |
| N12 | C13 | N14 | H8 | 180.0° | 180.0° |
| N12 | C13 | N15 | H9 | 176.4° | 179.8° |
| N15 | C13 | N12 | C09 | 1.2° | 0.4° |
| C13 | N15 | C16 | H9 | 180.0° | 179.4° |
| C13 | N15 | C16 | C08 | 3.9° | 0.5° |
| C13 | N15 | C16 | O17 | 179.4° | 179.8° |
| N15 | C13 | N14 | H7 | 177.6° | 179.7° |
| N15 | C13 | N14 | H8 | 2.5° | 0.4° |
| N12 | C09 | N10 | C08 | 177.6° | 180.0° |
| N12 | C09 | N10 | C11 | 178.7° | 151.4° |
| N12 | C09 | C08 | C16 | 0.6° | 0.5° |
| N12 | C09 | C08 | N07 | 178.3° | 179.2° |
| N12 | C09 | N10 | H11 | 59.6° | 28.6° |
| N15 | C16 | C08 | C09 | 1.8° | 0.5° |
| N15 | C16 | C08 | O17 | 176.8° | 179.7° |
| N15 | C16 | C08 | N07 | 179.3° | 179.2° |
| C09 | N10 | C11 | H11 | 121.8° | 180.0° |
| N10 | C09 | C08 | C16 | 178.2° | 179.6° |
| N10 | C09 | C08 | N07 | 0.7° | 0.7° |
| C09 | N10 | C11 | C06 | 1.1° | 40.6° |
| C09 | N10 | C11 | H6 | 119.3° | 79.2° |
| C09 | N10 | C11 | H10 | 121.6° | 160.5° |
| C08 | C09 | N10 | C11 | 1.1° | 28.6° |
| C09 | C08 | C16 | N07 | 178.9° | 179.7° |
| C09 | C08 | C16 | O17 | 178.6° | 179.8° |
| C09 | C08 | N07 | C06 | 0.6° | 15.0° |
| C08 | C09 | N10 | H11 | 122.9° | 151.4° |
| N10 | C11 | C06 | H6 | 120.4° | 119.8° |
| N10 | C11 | C06 | H10 | 120.5° | 120.0° |
| N10 | C11 | C06 | N07 | 1.0° | 27.6° |
| N10 | C11 | C06 | C04 | 174.2° | 152.3° |
| N10 | C11 | H6 | H10 | 118.7° | 120.3° |
| C16 | C08 | N07 | C06 | 178.3° | 165.3° |
| C08 | C16 | N15 | H9 | 176.1° | 179.8° |
| O17 | C16 | C08 | N07 | 2.5° | 0.5° |
| O17 | C16 | N15 | H9 | 0.6° | 0.4° |
| C08 | N07 | C06 | C11 | 0.7° | 1.0° |
| C08 | N07 | C06 | C04 | 174.9° | 178.9° |
| C11 | C06 | N07 | C04 | 175.6° | 179.9° |
| C11 | C06 | C04 | C02 | 20.2° | 144.0° |
| C11 | C06 | C04 | O05 | 176.4° | 36.1° |
| C06 | C11 | H6 | H10 | 118.6° | 120.2° |
| C06 | C11 | N10 | H11 | 122.9° | 139.4° |
| N07 | C06 | C04 | C02 | 155.3° | 36.0° |
| N07 | C06 | C04 | O05 | 8.1° | 144.0° |
| N07 | C06 | C11 | H6 | 119.5° | 92.2° |
| N07 | C06 | C11 | H10 | 121.4° | 147.6° |
| C06 | C04 | C02 | C01 | 11.4° | 6.9° |
| C06 | C04 | C02 | O05 | 164.7° | 180.0° |
| C06 | C04 | C02 | O03 | 171.9° | 173.0° |
| C06 | C04 | O05 | H5 | 180.0° | 180.0° |
| C04 | C06 | C11 | H6 | 65.3° | 87.8° |
| C04 | C06 | C11 | H10 | 53.8° | 32.3° |
| C01 | C02 | C04 | O03 | 176.7° | 180.0° |
| C01 | C02 | C04 | O05 | 176.1° | 173.1° |
| C01 | C02 | O03 | H1 | 180.0° | 0.0° |
| C02 | C01 | H2 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H4 | 120.0° | 120.1° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C04 | C02 | O03 | H1 | 3.0° | 180.0° |
| C04 | C02 | C01 | H2 | 180.0° | 5.5° |
| C04 | C02 | C01 | H3 | 60.0° | 125.5° |
| C04 | C02 | C01 | H4 | 60.0° | 114.6° |
| C02 | C04 | O05 | H5 | 15.2° | 0.0° |
| O03 | C02 | C04 | O05 | 7.2° | 7.0° |
| O03 | C02 | C01 | H2 | 3.4° | 174.5° |
| O03 | C02 | C01 | H3 | 116.6° | 54.6° |
| O03 | C02 | C01 | H4 | 123.4° | 65.4° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H6 | C11 | N10 | H11 | 2.5° | 100.8° |
| H10 | C11 | N10 | H11 | 116.7° | 19.5° |
