8SZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N04 | C10 | sing | 1.47Å | 1.42Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| N05 | O02 | sing | 1.42Å | 1.36Å | |
| N05 | C11 | sing | 1.35Å | 1.44Å | |
| N03 | C08 | sing | 1.47Å | 1.41Å | |
| C08 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | O01 | doub | 1.21Å | 1.22Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| O02 | H3 | sing | 0.97Å | 0.95Å | |
| N03 | H4 | sing | 1.01Å | 1.00Å | |
| N03 | H5 | sing | 1.01Å | 1.00Å | |
| N04 | H7 | sing | 1.01Å | 1.00Å | |
| N04 | H8 | sing | 1.01Å | 1.00Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N04 | C10 | C09 | 110.7° | 109.5° |
| N04 | C10 | H1 | 109.2° | 109.5° |
| N04 | C10 | H2 | 109.1° | 109.4° |
| C10 | N04 | H7 | 109.5° | 111.0° |
| C10 | N04 | H8 | 109.5° | 111.0° |
| C10 | C09 | C07 | 109.6° | 109.5° |
| C09 | C10 | H1 | 109.2° | 109.5° |
| C09 | C10 | H2 | 109.2° | 109.5° |
| C10 | C09 | H16 | 109.4° | 109.5° |
| C10 | C09 | H17 | 109.5° | 109.5° |
| C09 | C07 | C06 | 111.7° | 109.5° |
| C09 | C07 | H13 | 108.9° | 109.5° |
| C09 | C07 | H14 | 108.9° | 109.4° |
| C07 | C09 | H16 | 109.4° | 109.5° |
| C07 | C09 | H17 | 109.4° | 109.5° |
| C07 | C06 | C08 | 112.3° | 109.5° |
| C07 | C06 | H11 | 108.7° | 109.5° |
| C07 | C06 | H12 | 108.8° | 109.5° |
| C06 | C07 | H13 | 108.9° | 109.5° |
| C06 | C07 | H14 | 108.9° | 109.5° |
| C06 | C08 | N03 | 110.0° | 109.5° |
| C06 | C08 | C11 | 103.8° | 109.5° |
| C08 | C06 | H11 | 108.8° | 109.5° |
| C08 | C06 | H12 | 108.7° | 109.5° |
| C06 | C08 | H15 | 110.4° | 109.4° |
| O02 | N05 | C11 | 116.6° | 120.0° |
| N05 | O02 | H3 | 109.5° | 114.0° |
| O02 | N05 | H10 | 121.7° | 120.0° |
| N05 | C11 | C08 | 117.5° | 120.0° |
| N05 | C11 | O01 | 119.8° | 120.0° |
| C11 | N05 | H10 | 121.7° | 120.0° |
| N03 | C08 | C11 | 109.4° | 109.5° |
| C08 | N03 | H4 | 109.5° | 111.0° |
| C08 | N03 | H5 | 109.5° | 111.0° |
| N03 | C08 | H15 | 112.2° | 109.5° |
| C08 | C11 | O01 | 122.6° | 120.0° |
| C11 | C08 | H15 | 110.8° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H4 | N03 | H5 | 109.4° | 111.0° |
| H7 | N04 | H8 | 109.5° | 111.0° |
| H11 | C06 | H12 | 109.5° | 109.5° |
| H13 | C07 | H14 | 109.4° | 109.4° |
| H16 | C09 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N04 | C10 | C09 | H1 | 120.2° | 120.0° |
| N04 | C10 | C09 | H2 | 120.2° | 120.0° |
| N04 | C10 | C09 | C07 | 145.6° | 180.0° |
| N04 | C10 | H1 | H2 | 119.4° | 119.9° |
| C10 | N04 | H7 | H8 | 120.0° | 124.0° |
| N04 | C10 | C09 | H16 | 94.4° | 60.0° |
| N04 | C10 | C09 | H17 | 25.6° | 60.0° |
| C10 | C09 | C07 | H16 | 120.0° | 120.0° |
| C10 | C09 | C07 | H17 | 120.0° | 120.0° |
| C10 | C09 | C07 | C06 | 27.5° | 180.0° |
| C09 | C10 | H1 | H2 | 119.4° | 120.0° |
| C09 | C10 | N04 | H7 | 180.0° | 56.0° |
| C09 | C10 | N04 | H8 | 60.0° | 180.0° |
| C10 | C09 | C07 | H13 | 147.9° | 59.9° |
| C10 | C09 | C07 | H14 | 92.8° | 60.0° |
| C10 | C09 | H16 | H17 | 120.0° | 120.0° |
| C09 | C07 | C06 | H13 | 120.4° | 120.0° |
| C09 | C07 | C06 | H14 | 120.4° | 120.0° |
| C09 | C07 | C06 | C08 | 169.3° | 180.0° |
| C07 | C09 | C10 | H1 | 25.4° | 60.0° |
| C07 | C09 | C10 | H2 | 94.2° | 60.0° |
| C09 | C07 | C06 | H11 | 70.2° | 60.0° |
| C09 | C07 | C06 | H12 | 48.9° | 60.0° |
| C09 | C07 | H13 | H14 | 119.0° | 119.9° |
| C07 | C09 | H16 | H17 | 119.9° | 120.0° |
| C07 | C06 | C08 | H11 | 120.4° | 120.0° |
| C07 | C06 | C08 | H12 | 120.4° | 120.0° |
| C07 | C06 | C08 | N03 | 169.5° | 65.0° |
| C07 | C06 | C08 | C11 | 52.6° | 175.0° |
| C07 | C06 | H11 | H12 | 118.7° | 120.0° |
| C06 | C07 | H13 | H14 | 119.0° | 120.0° |
| C07 | C06 | C08 | H15 | 66.1° | 55.0° |
| C06 | C07 | C09 | H16 | 92.5° | 60.0° |
| C06 | C07 | C09 | H17 | 147.6° | 60.0° |
| C06 | C08 | C11 | N05 | 61.2° | 80.0° |
| C06 | C08 | N03 | C11 | 113.3° | 120.0° |
| C06 | C08 | N03 | H15 | 123.3° | 119.9° |
| C06 | C08 | C11 | H15 | 118.5° | 120.0° |
| C06 | C08 | C11 | O01 | 114.9° | 100.0° |
| C06 | C08 | N03 | H4 | 180.0° | 60.0° |
| C06 | C08 | N03 | H5 | 60.0° | 63.9° |
| C08 | C06 | H11 | H12 | 118.7° | 120.0° |
| C08 | C06 | C07 | H13 | 49.0° | 60.0° |
| C08 | C06 | C07 | H14 | 70.3° | 60.0° |
| O02 | N05 | C11 | H10 | 180.0° | 179.9° |
| O02 | N05 | C11 | C08 | 177.8° | 180.0° |
| O02 | N05 | C11 | O01 | 1.5° | 0.0° |
| N05 | C11 | C08 | N03 | 56.1° | 160.0° |
| N05 | C11 | C08 | O01 | 176.1° | 180.0° |
| C11 | N05 | O02 | H3 | 0.7° | 179.9° |
| N05 | C11 | C08 | H15 | 179.7° | 39.9° |
| N03 | C08 | C11 | H15 | 124.2° | 120.0° |
| N03 | C08 | C11 | O01 | 127.8° | 20.0° |
| C08 | N03 | H4 | H5 | 120.0° | 123.9° |
| N03 | C08 | C06 | H11 | 49.1° | 175.0° |
| N03 | C08 | C06 | H12 | 70.1° | 55.0° |
| C11 | C08 | N03 | H4 | 66.7° | 60.0° |
| C11 | C08 | N03 | H5 | 53.3° | 176.1° |
| C08 | C11 | N05 | H10 | 2.2° | 0.1° |
| C11 | C08 | C06 | H11 | 67.8° | 55.0° |
| C11 | C08 | C06 | H12 | 173.1° | 65.0° |
| O01 | C11 | N05 | H10 | 178.5° | 180.0° |
| O01 | C11 | C08 | H15 | 3.6° | 140.0° |
| H1 | C10 | N04 | H7 | 59.8° | 176.0° |
| H1 | C10 | N04 | H8 | 60.2° | 60.0° |
| H1 | C10 | C09 | H16 | 145.4° | 180.0° |
| H1 | C10 | C09 | H17 | 94.6° | 60.0° |
| H2 | C10 | N04 | H7 | 59.8° | 64.0° |
| H2 | C10 | N04 | H8 | 179.8° | 60.0° |
| H2 | C10 | C09 | H16 | 25.8° | 60.0° |
| H2 | C10 | C09 | H17 | 145.8° | 180.0° |
| H3 | O02 | N05 | H10 | 179.4° | 0.0° |
| H4 | N03 | C08 | H15 | 56.7° | 180.0° |
| H5 | N03 | C08 | H15 | 176.7° | 56.0° |
| H11 | C06 | C07 | H13 | 169.4° | 60.0° |
| H11 | C06 | C07 | H14 | 50.1° | 180.0° |
| H11 | C06 | C08 | H15 | 173.4° | 65.0° |
| H12 | C06 | C07 | H13 | 71.4° | 180.0° |
| H12 | C06 | C07 | H14 | 169.3° | 60.0° |
| H12 | C06 | C08 | H15 | 54.3° | 175.0° |
| H13 | C07 | C09 | H16 | 27.9° | 60.0° |
| H13 | C07 | C09 | H17 | 92.1° | 180.0° |
| H14 | C07 | C09 | H16 | 147.2° | 180.0° |
| H14 | C07 | C09 | H17 | 27.2° | 60.0° |
