Z6I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.47Å | 1.49Å | |
| N10 | C11 | sing | 1.47Å | 1.49Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.49Å | |
| C12 | C07 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C06 | C02 | doub | 1.35Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | N03 | sing | 1.35Å | 1.33Å | Aromatic |
| C05 | N04 | doub | 1.31Å | 1.32Å | Aromatic |
| N03 | N04 | sing | 1.40Å | 1.36Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 1.01Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N10 | C11 | 114.8° | 111.2° |
| N10 | C09 | C08 | 112.4° | 109.5° |
| N10 | C09 | H9 | 108.7° | 109.4° |
| N10 | C09 | H10 | 108.7° | 109.4° |
| C09 | N10 | H11 | 108.1° | 111.0° |
| N10 | C11 | C12 | 113.2° | 109.6° |
| C11 | N10 | H11 | 108.1° | 111.0° |
| N10 | C11 | H13 | 108.6° | 109.5° |
| N10 | C11 | H14 | 108.5° | 109.5° |
| C09 | C08 | C07 | 110.3° | 109.3° |
| C09 | C08 | H7 | 109.3° | 109.5° |
| C09 | C08 | H8 | 109.3° | 109.5° |
| C08 | C09 | H9 | 108.7° | 109.5° |
| C08 | C09 | H10 | 108.7° | 109.5° |
| C11 | C12 | C07 | 111.0° | 109.3° |
| C12 | C11 | H13 | 108.5° | 109.5° |
| C12 | C11 | H14 | 108.5° | 109.4° |
| C11 | C12 | H15 | 109.1° | 109.5° |
| C11 | C12 | H16 | 109.1° | 109.5° |
| C08 | C07 | C12 | 115.2° | 109.2° |
| C08 | C07 | C06 | 116.0° | 109.5° |
| C08 | C07 | H6 | 104.0° | 109.5° |
| C07 | C08 | H7 | 109.3° | 109.5° |
| C07 | C08 | H8 | 109.3° | 109.5° |
| C12 | C07 | C06 | 112.2° | 109.5° |
| C12 | C07 | H6 | 103.9° | 109.6° |
| C07 | C12 | H15 | 109.1° | 109.6° |
| C07 | C12 | H16 | 109.1° | 109.5° |
| C07 | C06 | C02 | 129.8° | 126.1° |
| C07 | C06 | C05 | 124.2° | 126.0° |
| C06 | C07 | H6 | 103.6° | 109.5° |
| C01 | C02 | C06 | 128.4° | 126.1° |
| C01 | C02 | N03 | 124.1° | 126.1° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C06 | C05 | 106.1° | 107.9° |
| C06 | C02 | N03 | 107.5° | 107.8° |
| C06 | C05 | N04 | 108.5° | 108.2° |
| C06 | C05 | H5 | 125.7° | 125.9° |
| C02 | N03 | N04 | 109.4° | 107.9° |
| C02 | N03 | H4 | 125.3° | 126.1° |
| C05 | N04 | N03 | 108.5° | 108.2° |
| N04 | C05 | H5 | 125.7° | 125.9° |
| N04 | N03 | H4 | 125.3° | 126.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N10 | C11 | H11 | 120.8° | 124.1° |
| N10 | C09 | C08 | H9 | 120.4° | 120.0° |
| N10 | C09 | C08 | H10 | 120.4° | 120.0° |
| C09 | N10 | C11 | C12 | 47.8° | 61.7° |
| N10 | C09 | C08 | C07 | 51.8° | 59.2° |
| N10 | C09 | C08 | H7 | 172.0° | 60.7° |
| N10 | C09 | C08 | H8 | 68.3° | 179.1° |
| N10 | C09 | H9 | H10 | 118.7° | 119.9° |
| C09 | N10 | C11 | H13 | 168.3° | 178.3° |
| C09 | N10 | C11 | H14 | 72.8° | 58.3° |
| C11 | N10 | C09 | C08 | 50.2° | 61.8° |
| N10 | C11 | C12 | H13 | 120.6° | 120.0° |
| N10 | C11 | C12 | H14 | 120.5° | 120.0° |
| N10 | C11 | C12 | C07 | 47.0° | 59.1° |
| C11 | N10 | C09 | H9 | 70.2° | 178.2° |
| C11 | N10 | C09 | H10 | 170.6° | 58.3° |
| N10 | C11 | H13 | H14 | 118.3° | 120.0° |
| N10 | C11 | C12 | H15 | 73.3° | 179.1° |
| N10 | C11 | C12 | H16 | 167.2° | 60.8° |
| C09 | C08 | C07 | H7 | 120.1° | 120.0° |
| C09 | C08 | C07 | H8 | 120.1° | 119.9° |
| C09 | C08 | C07 | C12 | 54.5° | 57.7° |
| C09 | C08 | C07 | C06 | 171.5° | 177.6° |
| C09 | C08 | C07 | H6 | 58.5° | 62.3° |
| C09 | C08 | H7 | H8 | 119.6° | 120.1° |
| C08 | C09 | H9 | H10 | 118.6° | 120.1° |
| C08 | C09 | N10 | H11 | 70.6° | 62.3° |
| C11 | C12 | C07 | C08 | 52.1° | 57.6° |
| C11 | C12 | C07 | H15 | 120.2° | 120.0° |
| C11 | C12 | C07 | H16 | 120.2° | 119.9° |
| C11 | C12 | C07 | C06 | 172.2° | 177.5° |
| C11 | C12 | C07 | H6 | 61.0° | 62.3° |
| C12 | C11 | N10 | H11 | 73.0° | 62.4° |
| C12 | C11 | H13 | H14 | 118.3° | 119.9° |
| C11 | C12 | H15 | H16 | 119.3° | 120.1° |
| C08 | C07 | C12 | C06 | 135.7° | 119.9° |
| C08 | C07 | C12 | H6 | 113.0° | 119.9° |
| C08 | C07 | C06 | H6 | 113.2° | 120.1° |
| C08 | C07 | C06 | C02 | 71.3° | 120.2° |
| C08 | C07 | C06 | C05 | 109.8° | 60.0° |
| C07 | C08 | H7 | H8 | 119.6° | 120.0° |
| C07 | C08 | C09 | H9 | 68.6° | 179.2° |
| C07 | C08 | C09 | H10 | 172.3° | 60.8° |
| C08 | C07 | C12 | H15 | 68.1° | 177.6° |
| C08 | C07 | C12 | H16 | 172.3° | 62.4° |
| C12 | C07 | C06 | H6 | 111.5° | 120.2° |
| C12 | C07 | C06 | C02 | 64.0° | 120.1° |
| C12 | C07 | C06 | C05 | 114.9° | 59.7° |
| C12 | C07 | C08 | H7 | 174.6° | 62.3° |
| C12 | C07 | C08 | H8 | 65.6° | 177.6° |
| C07 | C12 | C11 | H13 | 167.6° | 179.1° |
| C07 | C12 | C11 | H14 | 73.6° | 60.9° |
| C07 | C12 | H15 | H16 | 119.3° | 120.1° |
| C07 | C06 | C02 | C01 | 1.0° | 0.1° |
| C07 | C06 | C02 | C05 | 179.0° | 179.9° |
| C07 | C06 | C02 | N03 | 179.1° | 179.8° |
| C07 | C06 | C05 | N04 | 179.5° | 179.8° |
| C07 | C06 | C05 | H5 | 0.5° | 0.0° |
| C06 | C07 | C08 | H7 | 51.4° | 57.6° |
| C06 | C07 | C08 | H8 | 68.4° | 62.5° |
| C06 | C07 | C12 | H15 | 67.6° | 62.5° |
| C06 | C07 | C12 | H16 | 52.0° | 57.6° |
| C01 | C02 | C06 | N03 | 179.9° | 179.7° |
| C01 | C02 | C06 | C05 | 179.9° | 179.9° |
| C01 | C02 | N03 | N04 | 179.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N03 | H4 | 0.4° | 0.0° |
| C02 | C06 | C05 | N04 | 0.4° | 0.3° |
| C06 | C02 | N03 | N04 | 0.3° | 0.2° |
| C06 | C02 | C01 | H1 | 90.1° | 90.3° |
| C06 | C02 | C01 | H2 | 149.9° | 29.7° |
| C06 | C02 | C01 | H3 | 30.0° | 149.8° |
| C06 | C02 | N03 | H4 | 179.7° | 179.7° |
| C02 | C06 | C05 | H5 | 179.6° | 179.9° |
| C02 | C06 | C07 | H6 | 175.5° | 0.1° |
| C05 | C06 | C02 | N03 | 0.0° | 0.3° |
| C06 | C05 | N04 | H5 | 180.0° | 179.8° |
| C06 | C05 | N04 | N03 | 0.6° | 0.2° |
| C05 | C06 | C07 | H6 | 3.4° | 179.9° |
| C02 | N03 | N04 | C05 | 0.5° | 0.0° |
| C02 | N03 | N04 | H4 | 180.0° | 180.0° |
| N03 | C02 | C01 | H1 | 90.0° | 90.0° |
| N03 | C02 | C01 | H2 | 30.0° | 150.0° |
| N03 | C02 | C01 | H3 | 149.9° | 29.9° |
| C05 | N04 | N03 | H4 | 179.5° | 180.0° |
| N03 | N04 | C05 | H5 | 179.4° | 180.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C07 | C08 | H7 | 61.6° | 177.7° |
| H6 | C07 | C08 | H8 | 178.6° | 57.6° |
| H6 | C07 | C12 | H15 | 178.8° | 57.6° |
| H6 | C07 | C12 | H16 | 59.3° | 177.7° |
| H7 | C08 | C09 | H9 | 51.5° | 59.2° |
| H7 | C08 | C09 | H10 | 67.6° | 179.2° |
| H8 | C08 | C09 | H9 | 171.3° | 60.9° |
| H8 | C08 | C09 | H10 | 52.2° | 59.1° |
| H9 | C09 | N10 | H11 | 169.0° | 57.7° |
| H10 | C09 | N10 | H11 | 49.9° | 177.6° |
| H11 | N10 | C11 | H13 | 47.5° | 57.7° |
| H11 | N10 | C11 | H14 | 166.5° | 177.7° |
| H13 | C11 | C12 | H15 | 47.3° | 60.8° |
| H13 | C11 | C12 | H16 | 72.2° | 59.2° |
| H14 | C11 | C12 | H15 | 166.2° | 59.1° |
| H14 | C11 | C12 | H16 | 46.7° | 179.2° |
