8D8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | N03 | sing | 1.47Å | 1.48Å | |
| N03 | C04 | sing | 1.35Å | 1.47Å | |
| O05 | C04 | doub | 1.21Å | 1.19Å | |
| C04 | C06 | sing | 1.51Å | 1.54Å | |
| O12 | C11 | doub | 1.21Å | 1.40Å | |
| C06 | C11 | sing | 1.52Å | 1.39Å | |
| C06 | C07 | sing | 1.52Å | 1.39Å | |
| C11 | N10 | sing | 1.34Å | 1.33Å | |
| C07 | C08 | doub | 1.34Å | 1.39Å | |
| N10 | C09 | doub | 1.31Å | 1.32Å | |
| C08 | C09 | sing | 1.41Å | 1.39Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| N03 | H8 | sing | 0.97Å | 1.00Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.08Å | 1.08Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C13 | 60.1° | 60.0° |
| C15 | C14 | C13 | 59.9° | 60.0° |
| C14 | C15 | H2 | 120.0° | 117.5° |
| C14 | C15 | H3 | 120.0° | 117.5° |
| C15 | C14 | H13 | 120.0° | 117.5° |
| C15 | C14 | H14 | 120.0° | 117.5° |
| C15 | C13 | C14 | 60.0° | 60.0° |
| C15 | C13 | C02 | 113.3° | 117.5° |
| C15 | C13 | H1 | 119.0° | 117.5° |
| C13 | C15 | H2 | 120.0° | 117.4° |
| C13 | C15 | H3 | 120.0° | 117.5° |
| C14 | C13 | C02 | 113.2° | 117.5° |
| C14 | C13 | H1 | 119.0° | 117.5° |
| C13 | C14 | H13 | 120.0° | 117.5° |
| C13 | C14 | H14 | 120.0° | 117.5° |
| C13 | C02 | C01 | 115.2° | 109.5° |
| C13 | C02 | N03 | 110.2° | 109.5° |
| C02 | C13 | H1 | 118.8° | 115.5° |
| C13 | C02 | H7 | 104.7° | 109.5° |
| C01 | C02 | N03 | 115.3° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.4° | 109.5° |
| C01 | C02 | H7 | 104.7° | 109.4° |
| C02 | N03 | C04 | 124.8° | 120.0° |
| N03 | C02 | H7 | 105.4° | 109.5° |
| C02 | N03 | H8 | 117.6° | 120.0° |
| N03 | C04 | O05 | 121.9° | 120.0° |
| N03 | C04 | C06 | 120.0° | 120.0° |
| C04 | N03 | H8 | 117.6° | 120.0° |
| O05 | C04 | C06 | 118.0° | 120.0° |
| C04 | C06 | C11 | 122.1° | 108.0° |
| C04 | C06 | C07 | 119.2° | 108.0° |
| C04 | C06 | H9 | 90.1° | 107.8° |
| O12 | C11 | C06 | 120.8° | 120.9° |
| O12 | C11 | N10 | 118.2° | 120.9° |
| C11 | C06 | C07 | 118.8° | 116.6° |
| C06 | C11 | N10 | 121.0° | 118.2° |
| C11 | C06 | H9 | 90.1° | 108.0° |
| C06 | C07 | C08 | 117.9° | 117.3° |
| C07 | C06 | H9 | 90.1° | 108.0° |
| C06 | C07 | H10 | 121.0° | 121.3° |
| C11 | N10 | C09 | 122.0° | 122.6° |
| C07 | C08 | C09 | 120.6° | 121.1° |
| C08 | C07 | H10 | 121.0° | 121.4° |
| C07 | C08 | H11 | 119.7° | 119.5° |
| N10 | C09 | C08 | 119.6° | 124.1° |
| N10 | C09 | H12 | 120.2° | 117.9° |
| C09 | C08 | H11 | 119.7° | 119.4° |
| C08 | C09 | H12 | 120.2° | 117.9° |
| H2 | C15 | H3 | 109.4° | 115.6° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C13 | H2 | 109.5° | 107.5° |
| C14 | C15 | C13 | H3 | 109.5° | 107.5° |
| C15 | C14 | C13 | H13 | 109.5° | 107.4° |
| C15 | C14 | C13 | H14 | 109.4° | 107.5° |
| C14 | C15 | C13 | C02 | 104.3° | 107.5° |
| C14 | C15 | C13 | H1 | 108.7° | 107.5° |
| C14 | C15 | H2 | H3 | 144.6° | 145.8° |
| C15 | C14 | H13 | H14 | 144.7° | 145.7° |
| C15 | C13 | C02 | H1 | 147.1° | 145.7° |
| C15 | C13 | C02 | C01 | 102.7° | 60.1° |
| C15 | C13 | C02 | N03 | 124.7° | 179.9° |
| C13 | C15 | H2 | H3 | 144.7° | 145.6° |
| C15 | C13 | C02 | H7 | 11.7° | 59.9° |
| C14 | C13 | C02 | H1 | 147.0° | 145.7° |
| C14 | C13 | C02 | C01 | 168.6° | 128.8° |
| C14 | C13 | C02 | N03 | 58.8° | 111.2° |
| C14 | C13 | C02 | H7 | 54.2° | 8.8° |
| C13 | C14 | H13 | H14 | 144.8° | 145.7° |
| C13 | C02 | C01 | N03 | 130.2° | 120.0° |
| C13 | C02 | C01 | H7 | 114.4° | 120.1° |
| C13 | C02 | N03 | H7 | 112.5° | 120.1° |
| C13 | C02 | N03 | C04 | 74.9° | 155.0° |
| C02 | C13 | C15 | H2 | 5.2° | 145.0° |
| C02 | C13 | C15 | H3 | 146.2° | 0.0° |
| C13 | C02 | C01 | H4 | 180.0° | 60.0° |
| C13 | C02 | C01 | H5 | 60.0° | 180.0° |
| C13 | C02 | C01 | H6 | 60.0° | 60.0° |
| C13 | C02 | N03 | H8 | 105.1° | 25.0° |
| C02 | C13 | C14 | H13 | 146.1° | 0.0° |
| C02 | C13 | C14 | H14 | 5.0° | 145.0° |
| C01 | C02 | N03 | H7 | 114.9° | 119.9° |
| C01 | C02 | N03 | C04 | 57.7° | 85.0° |
| C01 | C02 | C13 | H1 | 44.5° | 85.5° |
| C02 | C01 | H4 | H5 | 120.0° | 120.0° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | C02 | N03 | H8 | 122.3° | 95.0° |
| C02 | N03 | C04 | H8 | 180.0° | 180.0° |
| C02 | N03 | C04 | O05 | 0.7° | 0.0° |
| C02 | N03 | C04 | C06 | 179.4° | 180.0° |
| N03 | C02 | C13 | H1 | 88.1° | 34.4° |
| N03 | C02 | C01 | H4 | 49.8° | 60.0° |
| N03 | C02 | C01 | H5 | 169.8° | 60.0° |
| N03 | C02 | C01 | H6 | 70.2° | 180.0° |
| N03 | C04 | O05 | C06 | 178.8° | 179.9° |
| N03 | C04 | C06 | C11 | 7.5° | 60.0° |
| N03 | C04 | C06 | C07 | 172.2° | 173.0° |
| C04 | N03 | C02 | H7 | 172.6° | 35.0° |
| N03 | C04 | C06 | H9 | 97.6° | 56.6° |
| O05 | C04 | C06 | C11 | 173.7° | 120.0° |
| O05 | C04 | C06 | C07 | 6.6° | 7.0° |
| O05 | C04 | N03 | H8 | 179.4° | 179.9° |
| O05 | C04 | C06 | H9 | 83.6° | 123.5° |
| C04 | C06 | C11 | O12 | 0.4° | 58.2° |
| C04 | C06 | C11 | C07 | 179.7° | 121.8° |
| C04 | C06 | C11 | H9 | 90.1° | 116.4° |
| C04 | C06 | C07 | H9 | 90.1° | 116.4° |
| C04 | C06 | C11 | N10 | 179.9° | 121.8° |
| C04 | C06 | C07 | C08 | 178.7° | 121.8° |
| C06 | C04 | N03 | H8 | 0.6° | 0.0° |
| C04 | C06 | C07 | H10 | 1.3° | 58.1° |
| O12 | C11 | C06 | N10 | 179.5° | 180.0° |
| O12 | C11 | C06 | C07 | 179.9° | 180.0° |
| O12 | C11 | N10 | C09 | 178.6° | 180.0° |
| O12 | C11 | C06 | H9 | 89.7° | 58.2° |
| C11 | C06 | C07 | H9 | 90.2° | 121.8° |
| C11 | C06 | C07 | C08 | 1.0° | 0.0° |
| C06 | C11 | N10 | C09 | 1.8° | 0.0° |
| C11 | C06 | C07 | H10 | 179.0° | 179.9° |
| C07 | C06 | C11 | N10 | 0.4° | 0.1° |
| C06 | C07 | C08 | H10 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.1° | 0.0° |
| C06 | C07 | C08 | H11 | 178.9° | 180.0° |
| C11 | N10 | C09 | C08 | 1.7° | 0.0° |
| N10 | C11 | C06 | H9 | 89.8° | 121.8° |
| C11 | N10 | C09 | H12 | 178.3° | 180.0° |
| C07 | C08 | C09 | N10 | 0.3° | 0.1° |
| C07 | C08 | C09 | H11 | 180.0° | 179.9° |
| C08 | C07 | C06 | H9 | 91.2° | 121.8° |
| C07 | C08 | C09 | H12 | 179.8° | 180.0° |
| N10 | C09 | C08 | H12 | 180.0° | 180.0° |
| N10 | C09 | C08 | H11 | 179.7° | 180.0° |
| C09 | C08 | C07 | H10 | 179.0° | 179.9° |
| H1 | C13 | C15 | H2 | 141.9° | 0.0° |
| H1 | C13 | C15 | H3 | 0.8° | 144.9° |
| H1 | C13 | C02 | H7 | 158.9° | 154.5° |
| H1 | C13 | C14 | H13 | 0.8° | 145.0° |
| H1 | C13 | C14 | H14 | 141.9° | 0.0° |
| H2 | C15 | C14 | H13 | 141.0° | 145.1° |
| H2 | C15 | C14 | H14 | 0.0° | 0.1° |
| H3 | C15 | C14 | H13 | 0.1° | 0.1° |
| H3 | C15 | C14 | H14 | 141.0° | 145.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H4 | C01 | C02 | H7 | 65.5° | 180.0° |
| H5 | C01 | C02 | H7 | 54.4° | 59.9° |
| H6 | C01 | C02 | H7 | 174.4° | 60.0° |
| H7 | C02 | N03 | H8 | 7.4° | 145.0° |
| H9 | C06 | C07 | H10 | 88.8° | 58.3° |
| H10 | C07 | C08 | H11 | 1.1° | 0.1° |
| H11 | C08 | C09 | H12 | 0.2° | 0.0° |
