377
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C02 | sing | 1.53Å | 1.47Å | |
| C09 | C02 | sing | 1.53Å | 1.50Å | |
| C09 | C05 | sing | 1.53Å | 1.49Å | |
| C02 | C07 | sing | 1.53Å | 1.49Å | |
| C02 | C06 | sing | 1.53Å | 1.49Å | |
| C05 | C11 | sing | 1.53Å | 1.50Å | |
| C05 | C10 | sing | 1.53Å | 1.50Å | |
| C07 | C04 | sing | 1.53Å | 1.51Å | |
| C11 | C04 | sing | 1.53Å | 1.51Å | |
| C06 | C03 | sing | 1.53Å | 1.49Å | |
| C10 | C03 | sing | 1.53Å | 1.50Å | |
| C04 | N01 | sing | 1.47Å | 1.44Å | |
| C04 | C08 | sing | 1.53Å | 1.51Å | |
| C03 | C08 | sing | 1.53Å | 1.50Å | |
| C03 | C13 | sing | 1.53Å | 1.49Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| N01 | H5 | sing | 1.01Å | 1.00Å | |
| N01 | H6 | sing | 1.01Å | 1.00Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C09 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C02 | C09 | 108.5° | 109.5° |
| C12 | C02 | C07 | 111.8° | 109.5° |
| C12 | C02 | C06 | 105.8° | 109.5° |
| C02 | C12 | H17 | 109.5° | 109.5° |
| C02 | C12 | H18 | 109.5° | 109.5° |
| C02 | C12 | H19 | 109.5° | 109.5° |
| C02 | C09 | C05 | 109.2° | 109.5° |
| C09 | C02 | C07 | 109.1° | 109.4° |
| C09 | C02 | C06 | 111.7° | 109.5° |
| C02 | C09 | H15 | 109.6° | 109.5° |
| C02 | C09 | H16 | 109.5° | 109.4° |
| C09 | C05 | C11 | 108.3° | 109.5° |
| C09 | C05 | C10 | 109.7° | 109.5° |
| C09 | C05 | H8 | 109.5° | 109.5° |
| C05 | C09 | H15 | 109.6° | 109.5° |
| C05 | C09 | H16 | 109.6° | 109.5° |
| C07 | C02 | C06 | 110.0° | 109.5° |
| C02 | C07 | C04 | 106.6° | 109.5° |
| C02 | C07 | H11 | 110.2° | 109.5° |
| C02 | C07 | H12 | 110.2° | 109.5° |
| C02 | C06 | C03 | 109.7° | 109.5° |
| C02 | C06 | H9 | 109.4° | 109.5° |
| C02 | C06 | H10 | 109.4° | 109.5° |
| C11 | C05 | C10 | 110.6° | 109.5° |
| C05 | C11 | C04 | 109.0° | 109.4° |
| C05 | C11 | H3 | 109.6° | 109.5° |
| C05 | C11 | H4 | 109.6° | 109.5° |
| C11 | C05 | H8 | 109.5° | 109.4° |
| C05 | C10 | C03 | 108.9° | 109.4° |
| C05 | C10 | H1 | 109.6° | 109.5° |
| C05 | C10 | H2 | 109.6° | 109.5° |
| C10 | C05 | H8 | 109.3° | 109.5° |
| C07 | C04 | C11 | 110.4° | 109.5° |
| C07 | C04 | N01 | 108.5° | 109.5° |
| C07 | C04 | C08 | 111.1° | 109.4° |
| C04 | C07 | H11 | 110.1° | 109.5° |
| C04 | C07 | H12 | 110.2° | 109.5° |
| C11 | C04 | N01 | 108.6° | 109.5° |
| C11 | C04 | C08 | 109.0° | 109.5° |
| C04 | C11 | H3 | 109.6° | 109.5° |
| C04 | C11 | H4 | 109.6° | 109.4° |
| C06 | C03 | C10 | 109.4° | 109.5° |
| C06 | C03 | C08 | 107.7° | 109.5° |
| C06 | C03 | C13 | 108.4° | 109.5° |
| C03 | C06 | H9 | 109.4° | 109.5° |
| C03 | C06 | H10 | 109.4° | 109.4° |
| C10 | C03 | C08 | 111.6° | 109.5° |
| C10 | C03 | C13 | 108.4° | 109.4° |
| C03 | C10 | H1 | 109.6° | 109.5° |
| C03 | C10 | H2 | 109.6° | 109.5° |
| N01 | C04 | C08 | 109.2° | 109.5° |
| C04 | N01 | H5 | 109.5° | 111.0° |
| C04 | N01 | H6 | 109.5° | 111.0° |
| C04 | C08 | C03 | 108.4° | 109.5° |
| C04 | C08 | H13 | 109.7° | 109.4° |
| C04 | C08 | H14 | 109.7° | 109.5° |
| C08 | C03 | C13 | 111.3° | 109.5° |
| C03 | C08 | H13 | 109.7° | 109.4° |
| C03 | C08 | H14 | 109.7° | 109.5° |
| C03 | C13 | H20 | 109.5° | 109.5° |
| C03 | C13 | H21 | 109.5° | 109.4° |
| C03 | C13 | H22 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | N01 | H6 | 109.4° | 111.0° |
| H9 | C06 | H10 | 109.5° | 109.4° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.5° |
| H15 | C09 | H16 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.4° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H20 | C13 | H21 | 109.5° | 109.5° |
| H20 | C13 | H22 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C02 | C09 | C07 | 122.0° | 120.0° |
| C12 | C02 | C09 | C06 | 116.2° | 120.0° |
| C12 | C02 | C09 | C05 | 173.6° | 180.0° |
| C12 | C02 | C07 | C06 | 117.2° | 120.0° |
| C12 | C02 | C07 | C04 | 177.6° | 180.0° |
| C12 | C02 | C06 | C03 | 175.5° | 180.0° |
| C12 | C02 | C06 | H9 | 55.4° | 60.0° |
| C12 | C02 | C06 | H10 | 64.5° | 60.0° |
| C12 | C02 | C07 | H11 | 58.0° | 60.0° |
| C12 | C02 | C07 | H12 | 62.9° | 60.0° |
| C12 | C02 | C09 | H15 | 66.4° | 59.9° |
| C12 | C02 | C09 | H16 | 53.6° | 60.0° |
| C02 | C12 | H17 | H18 | 120.0° | 120.0° |
| C02 | C12 | H17 | H19 | 120.0° | 120.0° |
| C02 | C12 | H18 | H19 | 120.0° | 120.1° |
| C02 | C09 | C05 | H15 | 120.0° | 120.1° |
| C02 | C09 | C05 | H16 | 119.9° | 119.9° |
| C09 | C02 | C07 | C06 | 122.8° | 120.0° |
| C02 | C09 | C05 | C11 | 61.8° | 60.1° |
| C02 | C09 | C05 | C10 | 58.9° | 60.0° |
| C09 | C02 | C07 | C04 | 62.5° | 60.0° |
| C09 | C02 | C06 | C03 | 57.6° | 60.0° |
| C02 | C09 | C05 | H8 | 178.8° | 180.0° |
| C09 | C02 | C06 | H9 | 62.4° | 60.0° |
| C09 | C02 | C06 | H10 | 177.7° | 180.0° |
| C09 | C02 | C07 | H11 | 178.0° | 180.0° |
| C09 | C02 | C07 | H12 | 57.1° | 60.0° |
| C02 | C09 | H15 | H16 | 120.1° | 119.9° |
| C09 | C02 | C12 | H17 | 180.0° | 180.0° |
| C09 | C02 | C12 | H18 | 60.0° | 60.0° |
| C09 | C02 | C12 | H19 | 60.0° | 60.0° |
| C05 | C09 | C02 | C07 | 64.4° | 60.0° |
| C05 | C09 | C02 | C06 | 57.4° | 60.0° |
| C09 | C05 | C11 | C10 | 120.2° | 120.1° |
| C09 | C05 | C11 | H8 | 119.3° | 120.0° |
| C09 | C05 | C10 | H8 | 120.0° | 120.0° |
| C09 | C05 | C11 | C04 | 59.6° | 60.0° |
| C09 | C05 | C10 | C03 | 61.5° | 60.0° |
| C09 | C05 | C10 | H1 | 178.6° | 60.0° |
| C09 | C05 | C10 | H2 | 58.4° | 180.0° |
| C09 | C05 | C11 | H3 | 60.4° | 180.0° |
| C09 | C05 | C11 | H4 | 179.5° | 59.9° |
| C05 | C09 | H15 | H16 | 120.1° | 120.0° |
| C02 | C07 | C04 | H11 | 119.6° | 120.0° |
| C02 | C07 | C04 | H12 | 119.6° | 120.0° |
| C02 | C07 | C04 | C11 | 61.1° | 60.0° |
| C07 | C02 | C06 | C03 | 63.7° | 60.0° |
| C02 | C07 | C04 | N01 | 180.0° | 180.0° |
| C02 | C07 | C04 | C08 | 60.0° | 60.0° |
| C07 | C02 | C06 | H9 | 176.3° | 180.0° |
| C07 | C02 | C06 | H10 | 56.3° | 60.0° |
| C02 | C07 | H11 | H12 | 121.3° | 120.0° |
| C07 | C02 | C09 | H15 | 55.6° | 60.1° |
| C07 | C02 | C09 | H16 | 175.6° | 180.0° |
| C07 | C02 | C12 | H17 | 59.6° | 60.0° |
| C07 | C02 | C12 | H18 | 179.6° | 180.0° |
| C07 | C02 | C12 | H19 | 60.4° | 60.0° |
| C06 | C02 | C07 | C04 | 60.4° | 60.0° |
| C02 | C06 | C03 | H9 | 120.0° | 120.1° |
| C02 | C06 | C03 | H10 | 120.0° | 120.0° |
| C02 | C06 | C03 | C10 | 59.1° | 60.0° |
| C02 | C06 | C03 | C08 | 62.4° | 60.0° |
| C02 | C06 | C03 | C13 | 177.0° | 180.0° |
| C02 | C06 | H9 | H10 | 119.9° | 120.0° |
| C06 | C02 | C07 | H11 | 59.2° | 60.0° |
| C06 | C02 | C07 | H12 | 179.9° | 180.0° |
| C06 | C02 | C09 | H15 | 177.3° | 179.9° |
| C06 | C02 | C09 | H16 | 62.6° | 60.0° |
| C06 | C02 | C12 | H17 | 60.0° | 60.0° |
| C06 | C02 | C12 | H18 | 59.9° | 60.0° |
| C06 | C02 | C12 | H19 | 179.9° | 180.0° |
| C11 | C05 | C10 | H8 | 120.6° | 120.0° |
| C05 | C11 | C04 | C07 | 60.5° | 60.0° |
| C05 | C11 | C04 | H3 | 119.9° | 120.0° |
| C05 | C11 | C04 | H4 | 119.9° | 120.0° |
| C11 | C05 | C10 | C03 | 57.9° | 60.0° |
| C05 | C11 | C04 | N01 | 179.4° | 180.0° |
| C05 | C11 | C04 | C08 | 61.7° | 60.0° |
| C11 | C05 | C10 | H1 | 62.0° | 180.0° |
| C11 | C05 | C10 | H2 | 177.8° | 59.9° |
| C05 | C11 | H3 | H4 | 120.2° | 120.1° |
| C11 | C05 | C09 | H15 | 58.1° | 60.0° |
| C11 | C05 | C09 | H16 | 178.2° | 180.0° |
| C10 | C05 | C11 | C04 | 60.6° | 60.0° |
| C05 | C10 | C03 | C06 | 61.3° | 60.0° |
| C05 | C10 | C03 | H1 | 119.9° | 120.0° |
| C05 | C10 | C03 | H2 | 119.9° | 120.0° |
| C05 | C10 | C03 | C08 | 57.8° | 60.0° |
| C05 | C10 | C03 | C13 | 179.3° | 180.0° |
| C05 | C10 | H1 | H2 | 120.3° | 120.0° |
| C10 | C05 | C11 | H3 | 179.4° | 60.0° |
| C10 | C05 | C11 | H4 | 59.3° | 180.0° |
| C10 | C05 | C09 | H15 | 178.9° | 180.0° |
| C10 | C05 | C09 | H16 | 61.0° | 60.0° |
| C07 | C04 | C11 | N01 | 118.8° | 120.0° |
| C07 | C04 | C11 | C08 | 122.3° | 119.9° |
| C07 | C04 | N01 | C08 | 121.2° | 119.9° |
| C07 | C04 | C08 | C03 | 61.2° | 60.0° |
| C07 | C04 | C11 | H3 | 59.4° | 180.0° |
| C07 | C04 | C11 | H4 | 179.5° | 60.0° |
| C07 | C04 | N01 | H5 | 180.0° | 60.0° |
| C07 | C04 | N01 | H6 | 60.0° | 176.0° |
| C04 | C07 | H11 | H12 | 121.3° | 120.0° |
| C07 | C04 | C08 | H13 | 58.6° | 180.0° |
| C07 | C04 | C08 | H14 | 179.0° | 60.0° |
| C11 | C04 | N01 | C08 | 118.8° | 120.0° |
| C11 | C04 | C08 | C03 | 60.7° | 60.0° |
| C04 | C11 | H3 | H4 | 120.2° | 119.9° |
| C11 | C04 | N01 | H5 | 60.0° | 60.1° |
| C11 | C04 | N01 | H6 | 180.0° | 63.9° |
| C04 | C11 | C05 | H8 | 178.9° | 180.0° |
| C11 | C04 | C07 | H11 | 179.4° | 180.0° |
| C11 | C04 | C07 | H12 | 58.5° | 60.0° |
| C11 | C04 | C08 | H13 | 179.5° | 60.0° |
| C11 | C04 | C08 | H14 | 59.2° | 180.0° |
| C06 | C03 | C10 | C08 | 119.1° | 120.0° |
| C06 | C03 | C10 | C13 | 118.0° | 120.0° |
| C06 | C03 | C08 | C04 | 60.6° | 60.0° |
| C06 | C03 | C08 | C13 | 118.7° | 120.0° |
| C06 | C03 | C10 | H1 | 178.8° | 60.0° |
| C06 | C03 | C10 | H2 | 58.6° | 180.0° |
| C03 | C06 | H9 | H10 | 119.9° | 120.0° |
| C06 | C03 | C08 | H13 | 59.3° | 180.0° |
| C06 | C03 | C08 | H14 | 179.6° | 60.0° |
| C06 | C03 | C13 | H20 | 180.0° | 59.9° |
| C06 | C03 | C13 | H21 | 60.0° | 60.0° |
| C06 | C03 | C13 | H22 | 60.0° | 180.0° |
| C10 | C03 | C08 | C04 | 59.5° | 60.0° |
| C10 | C03 | C08 | C13 | 121.2° | 120.0° |
| C03 | C10 | H1 | H2 | 120.2° | 120.0° |
| C03 | C10 | C05 | H8 | 178.5° | 180.0° |
| C10 | C03 | C06 | H9 | 61.0° | 60.0° |
| C10 | C03 | C06 | H10 | 179.1° | 180.0° |
| C10 | C03 | C08 | H13 | 179.4° | 60.0° |
| C10 | C03 | C08 | H14 | 60.3° | 180.0° |
| C10 | C03 | C13 | H20 | 61.4° | 60.0° |
| C10 | C03 | C13 | H21 | 58.6° | 180.0° |
| C10 | C03 | C13 | H22 | 178.6° | 60.0° |
| N01 | C04 | C08 | C03 | 179.2° | 180.0° |
| N01 | C04 | C11 | H3 | 59.4° | 60.0° |
| N01 | C04 | C11 | H4 | 60.7° | 60.0° |
| C04 | N01 | H5 | H6 | 120.0° | 124.0° |
| N01 | C04 | C07 | H11 | 60.5° | 60.0° |
| N01 | C04 | C07 | H12 | 60.4° | 60.0° |
| N01 | C04 | C08 | H13 | 61.0° | 60.0° |
| N01 | C04 | C08 | H14 | 59.3° | 60.0° |
| C04 | C08 | C03 | H13 | 119.8° | 120.0° |
| C04 | C08 | C03 | H14 | 119.8° | 120.0° |
| C04 | C08 | C03 | C13 | 179.3° | 179.9° |
| C08 | C04 | C11 | H3 | 178.3° | 60.0° |
| C08 | C04 | C11 | H4 | 58.2° | 180.0° |
| C08 | C04 | N01 | H5 | 58.8° | 179.9° |
| C08 | C04 | N01 | H6 | 61.2° | 56.1° |
| C08 | C04 | C07 | H11 | 59.6° | 60.0° |
| C08 | C04 | C07 | H12 | 179.5° | 180.0° |
| C04 | C08 | H13 | H14 | 120.5° | 120.0° |
| C08 | C03 | C10 | H1 | 62.1° | 180.0° |
| C08 | C03 | C10 | H2 | 177.7° | 60.0° |
| C08 | C03 | C06 | H9 | 177.6° | 179.9° |
| C08 | C03 | C06 | H10 | 57.6° | 60.0° |
| C03 | C08 | H13 | H14 | 120.5° | 120.0° |
| C08 | C03 | C13 | H20 | 61.7° | 180.0° |
| C08 | C03 | C13 | H21 | 178.3° | 60.0° |
| C08 | C03 | C13 | H22 | 58.3° | 60.0° |
| C13 | C03 | C10 | H1 | 60.8° | 60.0° |
| C13 | C03 | C10 | H2 | 59.4° | 60.0° |
| C13 | C03 | C06 | H9 | 57.0° | 59.9° |
| C13 | C03 | C06 | H10 | 63.0° | 60.0° |
| C13 | C03 | C08 | H13 | 59.4° | 60.0° |
| C13 | C03 | C08 | H14 | 60.9° | 60.0° |
| C03 | C13 | H20 | H21 | 120.0° | 119.9° |
| C03 | C13 | H20 | H22 | 120.0° | 120.0° |
| C03 | C13 | H21 | H22 | 120.0° | 120.0° |
| H1 | C10 | C05 | H8 | 58.6° | 60.0° |
| H2 | C10 | C05 | H8 | 61.6° | 60.0° |
| H3 | C11 | C05 | H8 | 58.9° | 60.0° |
| H4 | C11 | C05 | H8 | 61.2° | 60.1° |
| H8 | C05 | C09 | H15 | 61.2° | 60.0° |
| H8 | C05 | C09 | H16 | 58.9° | 60.0° |
| H17 | C12 | H18 | H19 | 120.0° | 119.9° |
| H20 | C13 | H21 | H22 | 120.0° | 120.1° |
