6BW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C07 | sing | 1.51Å | 1.51Å | |
| C07 | C08 | doub | 1.31Å | 1.35Å | |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| C11 | C06 | sing | 1.55Å | 1.54Å | |
| C11 | C10 | sing | 1.55Å | 1.51Å | |
| C06 | C05 | sing | 1.54Å | 1.54Å | |
| C10 | C04 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C05 | C04 | sing | 1.54Å | 1.52Å | |
| C04 | C12 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.50Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C03 | C15 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | doub | 1.30Å | 1.35Å | |
| C14 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.50Å | 1.51Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C07 | C08 | 119.6° | 120.0° |
| C09 | C07 | C06 | 118.8° | 120.0° |
| C07 | C09 | H9 | 109.5° | 109.4° |
| C07 | C09 | H10 | 109.5° | 109.5° |
| C07 | C09 | H11 | 109.5° | 109.5° |
| C08 | C07 | C06 | 120.2° | 120.0° |
| C07 | C08 | H7 | 120.0° | 119.9° |
| C07 | C08 | H8 | 120.0° | 120.0° |
| C07 | C06 | C11 | 115.8° | 110.6° |
| C07 | C06 | C05 | 117.2° | 110.5° |
| C07 | C06 | H6 | 107.2° | 110.4° |
| C06 | C11 | C10 | 106.2° | 102.8° |
| C11 | C06 | C05 | 101.6° | 104.2° |
| C11 | C06 | H6 | 107.2° | 110.5° |
| C06 | C11 | H14 | 110.3° | 110.7° |
| C06 | C11 | H15 | 110.3° | 110.7° |
| C11 | C10 | C04 | 106.9° | 104.2° |
| C11 | C10 | H12 | 110.1° | 110.5° |
| C11 | C10 | H13 | 110.1° | 110.6° |
| C10 | C11 | H14 | 110.3° | 110.8° |
| C10 | C11 | H15 | 110.3° | 110.8° |
| C06 | C05 | C04 | 107.2° | 106.5° |
| C06 | C05 | H4 | 110.0° | 110.1° |
| C06 | C05 | H5 | 110.1° | 110.1° |
| C05 | C06 | H6 | 107.2° | 110.5° |
| C10 | C04 | C05 | 106.4° | 106.8° |
| C10 | C04 | C12 | 121.8° | 109.5° |
| C10 | C04 | C03 | 98.4° | 109.9° |
| C04 | C10 | H12 | 110.1° | 110.5° |
| C04 | C10 | H13 | 110.1° | 110.5° |
| C13 | C12 | C04 | 111.0° | 109.6° |
| C13 | C12 | C14 | 108.0° | 109.7° |
| C13 | C12 | H16 | 108.8° | 109.7° |
| C12 | C13 | H17 | 109.5° | 109.5° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C05 | C04 | C12 | 94.4° | 109.8° |
| C05 | C04 | C03 | 124.1° | 110.1° |
| C04 | C05 | H4 | 110.0° | 110.1° |
| C04 | C05 | H5 | 110.0° | 110.0° |
| C12 | C04 | C03 | 113.6° | 110.7° |
| C04 | C12 | C14 | 111.5° | 108.4° |
| C04 | C12 | H16 | 108.7° | 109.7° |
| C04 | C03 | C15 | 119.7° | 118.1° |
| C04 | C03 | C02 | 120.8° | 123.8° |
| C12 | C14 | C01 | 112.9° | 108.5° |
| C14 | C12 | H16 | 108.9° | 109.7° |
| C12 | C14 | H20 | 108.6° | 109.6° |
| C12 | C14 | H21 | 108.6° | 109.6° |
| C15 | C03 | C02 | 119.4° | 118.1° |
| C03 | C15 | H22 | 109.5° | 109.5° |
| C03 | C15 | H23 | 109.5° | 109.5° |
| C03 | C15 | H24 | 109.5° | 109.5° |
| C03 | C02 | C01 | 119.8° | 124.0° |
| C03 | C02 | H3 | 120.1° | 118.0° |
| C14 | C01 | C02 | 100.3° | 110.3° |
| C14 | C01 | H1 | 111.7° | 109.3° |
| C14 | C01 | H2 | 111.7° | 109.2° |
| C01 | C14 | H20 | 108.6° | 109.7° |
| C01 | C14 | H21 | 108.6° | 109.6° |
| C02 | C01 | H1 | 111.7° | 109.3° |
| C02 | C01 | H2 | 111.7° | 109.4° |
| C01 | C02 | H3 | 120.1° | 118.0° |
| H1 | C01 | H2 | 109.5° | 109.3° |
| H4 | C05 | H5 | 109.5° | 110.0° |
| H7 | C08 | H8 | 120.0° | 120.0° |
| H9 | C09 | H10 | 109.4° | 109.5° |
| H9 | C09 | H11 | 109.5° | 109.4° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 110.4° |
| H14 | C11 | H15 | 109.5° | 110.8° |
| H17 | C13 | H18 | 109.4° | 109.4° |
| H17 | C13 | H19 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.8° |
| H22 | C15 | H23 | 109.5° | 109.4° |
| H22 | C15 | H24 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C07 | C08 | C06 | 166.8° | 179.9° |
| C09 | C07 | C06 | C11 | 117.5° | 54.9° |
| C09 | C07 | C06 | C05 | 122.5° | 59.9° |
| C09 | C07 | C06 | H6 | 2.1° | 177.5° |
| C09 | C07 | C08 | H7 | 166.8° | 0.1° |
| C09 | C07 | C08 | H8 | 13.2° | 180.0° |
| C07 | C09 | H9 | H10 | 120.0° | 120.0° |
| C07 | C09 | H9 | H11 | 120.0° | 119.9° |
| C07 | C09 | H10 | H11 | 120.0° | 120.0° |
| C08 | C07 | C06 | C11 | 49.4° | 125.2° |
| C08 | C07 | C06 | C05 | 70.5° | 120.0° |
| C08 | C07 | C06 | H6 | 169.0° | 2.6° |
| C07 | C08 | H7 | H8 | 179.9° | 180.0° |
| C08 | C07 | C09 | H9 | 180.0° | 90.0° |
| C08 | C07 | C09 | H10 | 60.0° | 150.0° |
| C08 | C07 | C09 | H11 | 60.0° | 29.9° |
| C07 | C06 | C11 | C05 | 128.1° | 118.7° |
| C07 | C06 | C11 | H6 | 119.6° | 122.6° |
| C07 | C06 | C11 | C10 | 162.0° | 156.6° |
| C07 | C06 | C05 | H6 | 120.5° | 122.5° |
| C07 | C06 | C05 | C04 | 158.1° | 142.4° |
| C07 | C06 | C05 | H4 | 82.3° | 23.1° |
| C07 | C06 | C05 | H5 | 38.4° | 98.4° |
| C06 | C07 | C08 | H7 | 0.0° | 180.0° |
| C06 | C07 | C08 | H8 | 180.0° | 0.0° |
| C06 | C07 | C09 | H9 | 13.0° | 90.0° |
| C06 | C07 | C09 | H10 | 107.0° | 30.0° |
| C06 | C07 | C09 | H11 | 133.0° | 150.0° |
| C07 | C06 | C11 | H14 | 42.5° | 38.2° |
| C07 | C06 | C11 | H15 | 78.5° | 85.1° |
| C06 | C11 | C10 | H14 | 119.5° | 118.3° |
| C06 | C11 | C10 | H15 | 119.5° | 118.3° |
| C11 | C06 | C05 | H6 | 112.3° | 118.7° |
| C06 | C11 | C10 | C04 | 24.8° | 37.8° |
| C11 | C06 | C05 | C04 | 30.9° | 23.6° |
| C11 | C06 | C05 | H4 | 150.5° | 95.7° |
| C11 | C06 | C05 | H5 | 88.8° | 142.8° |
| C06 | C11 | C10 | H12 | 144.3° | 80.9° |
| C06 | C11 | C10 | H13 | 94.8° | 156.5° |
| C06 | C11 | H14 | H15 | 121.5° | 123.3° |
| C10 | C11 | C06 | C05 | 33.9° | 37.9° |
| C11 | C10 | C04 | H12 | 119.6° | 118.7° |
| C11 | C10 | C04 | H13 | 119.6° | 118.8° |
| C11 | C10 | C04 | C05 | 5.0° | 23.5° |
| C11 | C10 | C04 | C12 | 111.1° | 142.3° |
| C11 | C10 | C04 | C03 | 124.4° | 95.9° |
| C10 | C11 | C06 | H6 | 78.4° | 80.8° |
| C11 | C10 | H12 | H13 | 121.2° | 122.7° |
| C10 | C11 | H14 | H15 | 121.5° | 123.4° |
| C06 | C05 | C04 | C10 | 16.6° | 0.1° |
| C06 | C05 | C04 | H4 | 119.6° | 119.3° |
| C06 | C05 | C04 | H5 | 119.7° | 119.3° |
| C06 | C05 | C04 | C12 | 108.4° | 118.6° |
| C06 | C05 | C04 | C03 | 129.2° | 119.3° |
| C06 | C05 | H4 | H5 | 121.1° | 121.5° |
| C05 | C06 | C11 | H14 | 85.6° | 80.5° |
| C05 | C06 | C11 | H15 | 153.3° | 156.2° |
| C10 | C04 | C12 | C13 | 8.7° | 47.3° |
| C10 | C04 | C05 | C12 | 125.0° | 118.6° |
| C10 | C04 | C05 | C03 | 112.6° | 119.2° |
| C10 | C04 | C12 | C03 | 117.2° | 121.3° |
| C10 | C04 | C12 | C14 | 111.7° | 72.4° |
| C10 | C04 | C03 | C15 | 79.4° | 75.7° |
| C10 | C04 | C03 | C02 | 100.4° | 104.3° |
| C10 | C04 | C05 | H4 | 136.2° | 119.3° |
| C10 | C04 | C05 | H5 | 103.0° | 119.3° |
| C04 | C10 | H12 | H13 | 121.2° | 122.6° |
| C04 | C10 | C11 | H14 | 94.7° | 80.5° |
| C04 | C10 | C11 | H15 | 144.2° | 156.1° |
| C10 | C04 | C12 | H16 | 128.3° | 167.8° |
| C13 | C12 | C04 | C05 | 103.7° | 69.6° |
| C13 | C12 | C04 | C14 | 120.4° | 119.7° |
| C13 | C12 | C04 | H16 | 119.6° | 120.5° |
| C13 | C12 | C04 | C03 | 126.0° | 168.6° |
| C13 | C12 | C14 | H16 | 118.0° | 120.6° |
| C13 | C12 | C14 | C01 | 76.4° | 173.4° |
| C12 | C13 | H17 | H18 | 120.0° | 120.0° |
| C12 | C13 | H17 | H19 | 120.0° | 120.1° |
| C12 | C13 | H18 | H19 | 120.0° | 120.0° |
| C13 | C12 | C14 | H20 | 44.1° | 53.6° |
| C13 | C12 | C14 | H21 | 163.1° | 66.9° |
| C05 | C04 | C12 | C03 | 130.3° | 121.8° |
| C05 | C04 | C12 | C14 | 135.9° | 170.7° |
| C05 | C04 | C03 | C15 | 37.0° | 41.6° |
| C05 | C04 | C03 | C02 | 143.2° | 138.3° |
| C04 | C05 | H4 | H5 | 121.1° | 121.4° |
| C04 | C05 | C06 | H6 | 81.5° | 95.1° |
| C05 | C04 | C10 | H12 | 124.6° | 95.2° |
| C05 | C04 | C10 | H13 | 114.6° | 142.3° |
| C05 | C04 | C12 | H16 | 15.9° | 50.9° |
| C04 | C12 | C14 | H16 | 119.9° | 119.7° |
| C12 | C04 | C03 | C15 | 150.4° | 163.2° |
| C12 | C04 | C03 | C02 | 29.8° | 16.7° |
| C04 | C12 | C14 | C01 | 45.8° | 66.9° |
| C12 | C04 | C05 | H4 | 11.3° | 122.1° |
| C12 | C04 | C05 | H5 | 132.0° | 0.7° |
| C12 | C04 | C10 | H12 | 129.4° | 23.6° |
| C12 | C04 | C10 | H13 | 8.5° | 98.9° |
| C04 | C12 | C13 | H17 | 180.0° | 51.1° |
| C04 | C12 | C13 | H18 | 60.0° | 171.1° |
| C04 | C12 | C13 | H19 | 60.0° | 68.9° |
| C04 | C12 | C14 | H20 | 166.3° | 173.3° |
| C04 | C12 | C14 | H21 | 74.7° | 52.8° |
| C03 | C04 | C12 | C14 | 5.5° | 48.9° |
| C04 | C03 | C15 | C02 | 179.8° | 179.9° |
| C04 | C03 | C02 | C01 | 0.5° | 0.4° |
| C04 | C03 | C02 | H3 | 179.5° | 179.5° |
| C03 | C04 | C05 | H4 | 111.2° | 0.0° |
| C03 | C04 | C05 | H5 | 9.5° | 121.4° |
| C03 | C04 | C10 | H12 | 4.8° | 145.4° |
| C03 | C04 | C10 | H13 | 116.0° | 22.9° |
| C03 | C04 | C12 | H16 | 114.4° | 70.9° |
| C04 | C03 | C15 | H22 | 180.0° | 180.0° |
| C04 | C03 | C15 | H23 | 60.0° | 60.0° |
| C04 | C03 | C15 | H24 | 60.0° | 60.0° |
| C12 | C14 | C01 | H20 | 120.5° | 119.7° |
| C12 | C14 | C01 | H21 | 120.5° | 119.7° |
| C12 | C14 | C01 | C02 | 70.7° | 49.6° |
| C12 | C14 | C01 | H1 | 47.8° | 70.7° |
| C12 | C14 | C01 | H2 | 170.8° | 169.8° |
| C14 | C12 | C13 | H17 | 57.5° | 170.1° |
| C14 | C12 | C13 | H18 | 62.5° | 70.0° |
| C14 | C12 | C13 | H19 | 177.5° | 50.0° |
| C12 | C14 | H20 | H21 | 118.5° | 120.5° |
| C15 | C03 | C02 | C01 | 179.7° | 179.5° |
| C15 | C03 | C02 | H3 | 0.3° | 0.6° |
| C03 | C15 | H22 | H23 | 120.0° | 120.0° |
| C03 | C15 | H22 | H24 | 120.0° | 120.0° |
| C03 | C15 | H23 | H24 | 120.0° | 120.0° |
| C03 | C02 | C01 | C14 | 46.9° | 17.4° |
| C03 | C02 | C01 | H3 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 71.6° | 102.9° |
| C03 | C02 | C01 | H2 | 165.4° | 137.5° |
| C02 | C03 | C15 | H22 | 0.2° | 0.0° |
| C02 | C03 | C15 | H23 | 120.2° | 119.9° |
| C02 | C03 | C15 | H24 | 119.8° | 120.0° |
| C14 | C01 | C02 | H1 | 118.5° | 120.2° |
| C14 | C01 | C02 | H2 | 118.5° | 120.2° |
| C14 | C01 | H1 | H2 | 124.2° | 119.5° |
| C14 | C01 | C02 | H3 | 133.1° | 162.5° |
| C01 | C14 | C12 | H16 | 165.6° | 52.8° |
| C01 | C14 | H20 | H21 | 118.4° | 120.5° |
| C02 | C01 | H1 | H2 | 124.3° | 119.7° |
| C02 | C01 | C14 | H20 | 168.8° | 169.3° |
| C02 | C01 | C14 | H21 | 49.8° | 70.1° |
| H1 | C01 | C02 | H3 | 108.4° | 77.2° |
| H1 | C01 | C14 | H20 | 72.7° | 49.1° |
| H1 | C01 | C14 | H21 | 168.3° | 169.6° |
| H2 | C01 | C02 | H3 | 14.6° | 42.4° |
| H2 | C01 | C14 | H20 | 50.3° | 70.5° |
| H2 | C01 | C14 | H21 | 68.7° | 50.1° |
| H4 | C05 | C06 | H6 | 38.2° | 145.6° |
| H5 | C05 | C06 | H6 | 158.9° | 24.1° |
| H6 | C06 | C11 | H14 | 162.1° | 160.8° |
| H6 | C06 | C11 | H15 | 41.1° | 37.5° |
| H9 | C09 | H10 | H11 | 120.0° | 120.0° |
| H12 | C10 | C11 | H14 | 24.9° | 160.8° |
| H12 | C10 | C11 | H15 | 96.2° | 37.4° |
| H13 | C10 | C11 | H14 | 145.7° | 38.2° |
| H13 | C10 | C11 | H15 | 24.7° | 85.2° |
| H16 | C12 | C13 | H17 | 60.5° | 69.3° |
| H16 | C12 | C13 | H18 | 179.5° | 50.6° |
| H16 | C12 | C13 | H19 | 59.5° | 170.6° |
| H16 | C12 | C14 | H20 | 73.9° | 66.9° |
| H16 | C12 | C14 | H21 | 45.2° | 172.5° |
| H17 | C13 | H18 | H19 | 120.0° | 120.0° |
| H22 | C15 | H23 | H24 | 120.0° | 120.0° |
