Q6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| O04 | C02 | sing | 1.43Å | 1.39Å | |
| C02 | O03 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C05 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | N10 | sing | 1.47Å | 1.49Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| N10 | C09 | sing | 1.47Å | 1.49Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| N10 | H20 | sing | 1.01Å | 1.00Å | |
| N14 | H22 | sing | 1.01Å | 1.00Å | |
| N14 | H23 | sing | 1.01Å | 1.00Å | |
| O03 | H25 | sing | 0.97Å | 0.95Å | |
| O04 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C13 | C12 | 110.7° | 109.5° |
| N14 | C13 | H5 | 109.2° | 109.4° |
| N14 | C13 | H6 | 109.2° | 109.5° |
| C13 | N14 | H22 | 109.5° | 111.0° |
| C13 | N14 | H23 | 109.4° | 111.0° |
| C13 | C12 | C11 | 111.7° | 109.5° |
| C13 | C12 | H3 | 108.9° | 109.4° |
| C13 | C12 | H4 | 108.9° | 109.4° |
| C12 | C13 | H5 | 109.2° | 109.5° |
| C12 | C13 | H6 | 109.2° | 109.5° |
| O04 | C02 | O03 | 107.7° | 109.5° |
| O04 | C02 | C01 | 110.8° | 109.5° |
| O04 | C02 | C05 | 107.7° | 109.5° |
| C02 | O04 | H26 | 109.5° | 113.9° |
| O03 | C02 | C01 | 110.6° | 109.5° |
| O03 | C02 | C05 | 107.4° | 109.5° |
| C02 | O03 | H25 | 109.5° | 114.0° |
| C01 | C02 | C05 | 112.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.4° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C05 | C06 | 115.5° | 109.5° |
| C02 | C05 | H10 | 107.9° | 109.4° |
| C02 | C05 | H11 | 107.9° | 109.5° |
| C12 | C11 | N10 | 111.8° | 109.5° |
| C12 | C11 | H1 | 108.9° | 109.5° |
| C12 | C11 | H2 | 108.9° | 109.5° |
| C11 | C12 | H3 | 108.9° | 109.5° |
| C11 | C12 | H4 | 108.9° | 109.5° |
| C11 | N10 | C09 | 114.8° | 111.0° |
| N10 | C11 | H1 | 108.9° | 109.5° |
| N10 | C11 | H2 | 108.9° | 109.5° |
| C11 | N10 | H20 | 108.1° | 111.0° |
| C05 | C06 | C07 | 113.6° | 109.5° |
| C06 | C05 | H10 | 108.0° | 109.5° |
| C06 | C05 | H11 | 108.0° | 109.5° |
| C05 | C06 | H12 | 108.5° | 109.5° |
| C05 | C06 | H13 | 108.4° | 109.5° |
| C06 | C07 | C08 | 113.6° | 109.5° |
| C07 | C06 | H12 | 108.4° | 109.4° |
| C07 | C06 | H13 | 108.4° | 109.4° |
| C06 | C07 | H14 | 108.4° | 109.5° |
| C06 | C07 | H15 | 108.4° | 109.5° |
| C07 | C08 | C09 | 114.3° | 109.5° |
| C08 | C07 | H14 | 108.4° | 109.4° |
| C08 | C07 | H15 | 108.4° | 109.5° |
| C07 | C08 | H16 | 108.3° | 109.5° |
| C07 | C08 | H17 | 108.3° | 109.5° |
| C08 | C09 | N10 | 112.2° | 109.5° |
| C09 | C08 | H16 | 108.2° | 109.5° |
| C09 | C08 | H17 | 108.2° | 109.5° |
| C08 | C09 | H18 | 108.8° | 109.5° |
| C08 | C09 | H19 | 108.8° | 109.5° |
| N10 | C09 | H18 | 108.8° | 109.5° |
| N10 | C09 | H19 | 108.8° | 109.5° |
| C09 | N10 | H20 | 108.1° | 111.0° |
| H1 | C11 | H2 | 109.4° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.4° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.4° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H22 | N14 | H23 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C13 | C12 | H5 | 120.2° | 120.0° |
| N14 | C13 | C12 | H6 | 120.2° | 120.0° |
| N14 | C13 | C12 | C11 | 158.0° | 180.0° |
| N14 | C13 | C12 | H3 | 37.7° | 60.0° |
| N14 | C13 | C12 | H4 | 81.7° | 60.0° |
| N14 | C13 | H5 | H6 | 119.4° | 119.9° |
| C13 | N14 | H22 | H23 | 120.0° | 124.0° |
| C13 | C12 | C11 | H3 | 120.3° | 120.0° |
| C13 | C12 | C11 | H4 | 120.3° | 120.0° |
| C13 | C12 | C11 | N10 | 139.2° | 180.0° |
| C13 | C12 | C11 | H1 | 18.8° | 60.0° |
| C13 | C12 | C11 | H2 | 100.5° | 60.0° |
| C13 | C12 | H3 | H4 | 118.9° | 120.0° |
| C12 | C13 | H5 | H6 | 119.5° | 120.0° |
| C12 | C13 | N14 | H22 | 180.0° | 56.0° |
| C12 | C13 | N14 | H23 | 60.0° | 180.0° |
| O04 | C02 | O03 | C01 | 121.2° | 120.0° |
| O04 | C02 | O03 | C05 | 115.7° | 120.0° |
| O04 | C02 | C01 | C05 | 120.6° | 120.0° |
| O04 | C02 | C05 | C06 | 46.6° | 180.0° |
| O04 | C02 | C01 | H7 | 180.0° | 179.9° |
| O04 | C02 | C01 | H8 | 60.0° | 60.0° |
| O04 | C02 | C01 | H9 | 60.0° | 60.1° |
| O04 | C02 | C05 | H10 | 74.2° | 60.0° |
| O04 | C02 | C05 | H11 | 167.5° | 60.0° |
| O04 | C02 | O03 | H25 | 180.0° | 60.0° |
| O03 | C02 | C01 | C05 | 120.1° | 120.0° |
| O03 | C02 | C05 | C06 | 69.1° | 60.0° |
| O03 | C02 | C01 | H7 | 60.6° | 60.0° |
| O03 | C02 | C01 | H8 | 179.4° | 180.0° |
| O03 | C02 | C01 | H9 | 59.4° | 60.0° |
| O03 | C02 | C05 | H10 | 170.0° | 60.0° |
| O03 | C02 | C05 | H11 | 51.8° | 180.0° |
| O03 | C02 | O04 | H26 | 180.0° | 60.0° |
| C01 | C02 | C05 | C06 | 169.0° | 60.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | C02 | C05 | H10 | 48.1° | 180.0° |
| C01 | C02 | C05 | H11 | 70.1° | 60.0° |
| C01 | C02 | O03 | H25 | 58.8° | 180.0° |
| C01 | C02 | O04 | H26 | 58.9° | 60.0° |
| C02 | C05 | C06 | H10 | 120.9° | 120.0° |
| C02 | C05 | C06 | H11 | 120.9° | 120.0° |
| C02 | C05 | C06 | C07 | 152.0° | 180.0° |
| C05 | C02 | C01 | H7 | 59.4° | 60.0° |
| C05 | C02 | C01 | H8 | 60.6° | 60.0° |
| C05 | C02 | C01 | H9 | 179.5° | 180.0° |
| C02 | C05 | H10 | H11 | 117.2° | 120.0° |
| C02 | C05 | C06 | H12 | 31.4° | 60.0° |
| C02 | C05 | C06 | H13 | 87.4° | 60.0° |
| C05 | C02 | O03 | H25 | 64.2° | 60.0° |
| C05 | C02 | O04 | H26 | 64.4° | 180.0° |
| C12 | C11 | N10 | H1 | 120.4° | 120.0° |
| C12 | C11 | N10 | H2 | 120.4° | 120.0° |
| C12 | C11 | N10 | C09 | 168.9° | 180.0° |
| C12 | C11 | H1 | H2 | 118.9° | 120.0° |
| C11 | C12 | H3 | H4 | 119.0° | 120.1° |
| C11 | C12 | C13 | H5 | 81.8° | 60.0° |
| C11 | C12 | C13 | H6 | 37.8° | 59.9° |
| C12 | C11 | N10 | H20 | 70.4° | 56.0° |
| C11 | N10 | C09 | C08 | 82.2° | 180.0° |
| C11 | N10 | C09 | H20 | 120.8° | 123.9° |
| N10 | C11 | H1 | H2 | 118.9° | 120.0° |
| N10 | C11 | C12 | H3 | 100.5° | 60.0° |
| N10 | C11 | C12 | H4 | 18.8° | 60.0° |
| C11 | N10 | C09 | H18 | 157.4° | 60.0° |
| C11 | N10 | C09 | H19 | 38.2° | 60.0° |
| C05 | C06 | C07 | H12 | 120.6° | 120.0° |
| C05 | C06 | C07 | H13 | 120.6° | 120.0° |
| C05 | C06 | C07 | C08 | 157.3° | 180.0° |
| C06 | C05 | H10 | H11 | 117.3° | 120.0° |
| C05 | C06 | H12 | H13 | 118.1° | 120.1° |
| C05 | C06 | C07 | H14 | 36.7° | 60.0° |
| C05 | C06 | C07 | H15 | 82.0° | 60.0° |
| C06 | C07 | C08 | H14 | 120.6° | 120.0° |
| C06 | C07 | C08 | H15 | 120.6° | 120.0° |
| C06 | C07 | C08 | C09 | 154.4° | 180.0° |
| C07 | C06 | C05 | H10 | 87.1° | 60.0° |
| C07 | C06 | C05 | H11 | 31.2° | 60.0° |
| C07 | C06 | H12 | H13 | 118.1° | 120.0° |
| C06 | C07 | H14 | H15 | 118.1° | 120.0° |
| C06 | C07 | C08 | H16 | 33.7° | 60.0° |
| C06 | C07 | C08 | H17 | 84.9° | 60.0° |
| C07 | C08 | C09 | H16 | 120.7° | 120.0° |
| C07 | C08 | C09 | H17 | 120.7° | 120.0° |
| C07 | C08 | C09 | N10 | 151.9° | 180.0° |
| C08 | C07 | C06 | H12 | 82.1° | 60.0° |
| C08 | C07 | C06 | H13 | 36.7° | 60.0° |
| C08 | C07 | H14 | H15 | 118.1° | 120.0° |
| C07 | C08 | H16 | H17 | 117.8° | 120.0° |
| C07 | C08 | C09 | H18 | 31.4° | 60.0° |
| C07 | C08 | C09 | H19 | 87.7° | 60.0° |
| C08 | C09 | N10 | H18 | 120.4° | 120.0° |
| C08 | C09 | N10 | H19 | 120.4° | 120.0° |
| C09 | C08 | C07 | H14 | 85.0° | 60.0° |
| C09 | C08 | C07 | H15 | 33.8° | 60.0° |
| C09 | C08 | H16 | H17 | 117.8° | 120.0° |
| C08 | C09 | H18 | H19 | 118.8° | 120.0° |
| C08 | C09 | N10 | H20 | 157.0° | 56.1° |
| C09 | N10 | C11 | H1 | 48.5° | 60.0° |
| C09 | N10 | C11 | H2 | 70.8° | 60.0° |
| N10 | C09 | C08 | H16 | 87.4° | 60.0° |
| N10 | C09 | C08 | H17 | 31.2° | 60.0° |
| N10 | C09 | H18 | H19 | 118.7° | 120.0° |
| H1 | C11 | C12 | H3 | 139.1° | 60.0° |
| H1 | C11 | C12 | H4 | 101.6° | 180.0° |
| H1 | C11 | N10 | H20 | 169.3° | 176.1° |
| H2 | C11 | C12 | H3 | 19.9° | NaN° |
| H2 | C11 | C12 | H4 | 139.2° | 59.9° |
| H2 | C11 | N10 | H20 | 50.0° | 63.9° |
| H3 | C12 | C13 | H5 | 157.9° | 180.0° |
| H3 | C12 | C13 | H6 | 82.5° | 60.0° |
| H4 | C12 | C13 | H5 | 38.5° | 60.0° |
| H4 | C12 | C13 | H6 | 158.1° | 180.0° |
| H5 | C13 | N14 | H22 | 59.8° | 64.0° |
| H5 | C13 | N14 | H23 | 60.2° | 60.0° |
| H6 | C13 | N14 | H22 | 59.8° | 176.1° |
| H6 | C13 | N14 | H23 | 179.8° | 59.9° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H10 | C05 | C06 | H12 | 152.3° | 180.0° |
| H10 | C05 | C06 | H13 | 33.5° | 60.0° |
| H11 | C05 | C06 | H12 | 89.4° | 60.0° |
| H11 | C05 | C06 | H13 | 151.8° | 180.0° |
| H12 | C06 | C07 | H14 | 157.3° | 180.0° |
| H12 | C06 | C07 | H15 | 38.6° | 60.0° |
| H13 | C06 | C07 | H14 | 83.9° | 60.0° |
| H13 | C06 | C07 | H15 | 157.4° | 180.0° |
| H14 | C07 | C08 | H16 | 154.4° | 180.0° |
| H14 | C07 | C08 | H17 | 35.7° | 60.0° |
| H15 | C07 | C08 | H16 | 86.9° | 60.0° |
| H15 | C07 | C08 | H17 | 154.5° | 180.0° |
| H16 | C08 | C09 | H18 | 152.1° | NaN° |
| H16 | C08 | C09 | H19 | 33.0° | 60.0° |
| H17 | C08 | C09 | H18 | 89.3° | 60.0° |
| H17 | C08 | C09 | H19 | 151.5° | NaN° |
| H18 | C09 | N10 | H20 | 36.6° | 63.9° |
| H19 | C09 | N10 | H20 | 82.6° | 176.1° |
