DFD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | sing | 1.45Å | 1.45Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O2 | C1 | sing | 1.34Å | 1.44Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.4° | 109.5° |
| C11 | C10 | C9 | 111.5° | 109.5° |
| C11 | C10 | H101 | 108.8° | 109.4° |
| C11 | C10 | H102 | 108.3° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| C9 | C10 | H101 | 108.8° | 109.5° |
| C9 | C10 | H102 | 108.4° | 109.5° |
| C10 | C9 | C8 | 110.9° | 109.5° |
| C10 | C9 | H91 | 109.0° | 109.5° |
| C10 | C9 | H92 | 108.7° | 109.5° |
| H101 | C10 | H102 | 111.1° | 109.5° |
| C8 | C9 | H91 | 109.0° | 109.5° |
| C8 | C9 | H92 | 108.7° | 109.5° |
| C9 | C8 | C7 | 111.6° | 109.5° |
| C9 | C8 | H81 | 108.7° | 109.5° |
| C9 | C8 | H82 | 108.3° | 109.5° |
| H91 | C9 | H92 | 110.6° | 109.5° |
| C7 | C8 | H81 | 108.7° | 109.5° |
| C7 | C8 | H82 | 108.2° | 109.5° |
| C8 | C7 | C6 | 111.9° | 109.5° |
| C8 | C7 | H71 | 108.7° | 109.5° |
| C8 | C7 | H72 | 108.2° | 109.5° |
| H81 | C8 | H82 | 111.2° | 109.4° |
| C6 | C7 | H71 | 108.7° | 109.4° |
| C6 | C7 | H72 | 108.1° | 109.4° |
| C7 | C6 | C5 | 111.6° | 109.5° |
| C7 | C6 | H61 | 108.8° | 109.4° |
| C7 | C6 | H62 | 108.3° | 109.4° |
| H71 | C7 | H72 | 111.4° | 109.4° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C5 | C6 | H62 | 108.3° | 109.5° |
| C6 | C5 | C4 | 111.7° | 109.5° |
| C6 | C5 | H51 | 108.7° | 109.5° |
| C6 | C5 | H52 | 108.2° | 109.5° |
| H61 | C6 | H62 | 111.2° | 109.5° |
| C4 | C5 | H51 | 108.7° | 109.5° |
| C4 | C5 | H52 | 108.3° | 109.5° |
| C5 | C4 | C3 | 112.0° | 109.5° |
| C5 | C4 | H41 | 108.7° | 109.5° |
| C5 | C4 | H42 | 108.1° | 109.5° |
| H51 | C5 | H52 | 111.2° | 109.5° |
| C3 | C4 | H41 | 108.6° | 109.5° |
| C3 | C4 | H42 | 108.1° | 109.5° |
| C4 | C3 | C2 | 111.5° | 109.5° |
| C4 | C3 | H31 | 108.8° | 109.5° |
| C4 | C3 | H32 | 108.3° | 109.5° |
| H41 | C4 | H42 | 111.4° | 109.4° |
| C2 | C3 | H31 | 108.8° | 109.4° |
| C2 | C3 | H32 | 108.3° | 109.4° |
| C3 | C2 | O2 | 113.2° | 109.5° |
| C3 | C2 | H21 | 108.2° | 109.4° |
| C3 | C2 | H22 | 107.4° | 109.4° |
| H31 | C3 | H32 | 111.1° | 109.5° |
| O2 | C2 | H21 | 108.3° | 109.5° |
| O2 | C2 | H22 | 107.4° | 109.5° |
| C2 | O2 | C1 | 109.8° | 117.0° |
| H21 | C2 | H22 | 112.4° | 109.5° |
| O2 | C1 | O1 | 121.5° | 120.0° |
| O2 | C1 | H1 | 119.3° | 120.0° |
| O1 | C1 | H1 | 119.2° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 119.9° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C9 | H101 | 120.0° | 120.0° |
| C11 | C10 | C9 | H102 | 119.1° | 120.0° |
| C11 | C10 | H101 | H102 | 119.2° | 120.0° |
| C11 | C10 | C9 | C8 | 169.9° | 180.0° |
| C11 | C10 | C9 | H91 | 70.1° | 60.0° |
| C11 | C10 | C9 | H92 | 50.5° | 60.0° |
| H111 | C11 | H112 | H113 | 120.0° | 119.9° |
| H111 | C11 | C10 | C9 | 139.3° | 180.0° |
| H111 | C11 | C10 | H101 | 100.7° | 60.0° |
| H111 | C11 | C10 | H102 | 20.1° | 60.0° |
| H112 | C11 | C10 | C9 | 100.7° | 60.0° |
| H112 | C11 | C10 | H101 | 19.3° | 60.0° |
| H112 | C11 | C10 | H102 | 140.1° | 180.0° |
| H113 | C11 | C10 | C9 | 19.3° | 60.0° |
| H113 | C11 | C10 | H101 | 139.3° | 180.0° |
| H113 | C11 | C10 | H102 | 99.8° | 60.0° |
| C9 | C10 | H101 | H102 | 119.2° | 120.1° |
| C10 | C9 | C8 | H91 | 120.0° | 120.0° |
| C10 | C9 | C8 | H92 | 119.4° | 120.0° |
| C10 | C9 | H91 | H92 | 119.4° | 120.0° |
| C10 | C9 | C8 | C7 | 171.5° | 180.0° |
| C10 | C9 | C8 | H81 | 68.5° | 60.0° |
| C10 | C9 | C8 | H82 | 52.4° | 60.0° |
| H101 | C10 | C9 | C8 | 49.9° | 60.0° |
| H101 | C10 | C9 | H91 | 169.9° | 180.0° |
| H101 | C10 | C9 | H92 | 69.5° | 60.0° |
| H102 | C10 | C9 | C8 | 71.0° | 60.0° |
| H102 | C10 | C9 | H91 | 49.0° | 60.0° |
| H102 | C10 | C9 | H92 | 169.6° | 180.0° |
| C8 | C9 | H91 | H92 | 119.4° | 120.0° |
| C9 | C8 | C7 | H81 | 120.0° | 120.0° |
| C9 | C8 | C7 | H82 | 119.1° | 120.0° |
| C9 | C8 | H81 | H82 | 119.1° | 120.0° |
| C9 | C8 | C7 | C6 | 116.5° | 180.0° |
| C9 | C8 | C7 | H71 | 123.5° | 60.0° |
| C9 | C8 | C7 | H72 | 2.5° | 60.0° |
| H91 | C9 | C8 | C7 | 51.5° | 60.0° |
| H91 | C9 | C8 | H81 | 171.5° | 180.0° |
| H91 | C9 | C8 | H82 | 67.6° | 60.0° |
| H92 | C9 | C8 | C7 | 69.1° | 60.0° |
| H92 | C9 | C8 | H81 | 50.9° | 60.0° |
| H92 | C9 | C8 | H82 | 171.8° | 180.0° |
| C7 | C8 | H81 | H82 | 119.1° | 119.9° |
| C8 | C7 | C6 | H71 | 120.0° | 120.0° |
| C8 | C7 | C6 | H72 | 119.0° | 120.0° |
| C8 | C7 | H71 | H72 | 119.0° | 120.0° |
| C8 | C7 | C6 | C5 | 105.9° | 180.0° |
| C8 | C7 | C6 | H61 | 134.1° | 60.0° |
| C8 | C7 | C6 | H62 | 13.2° | 60.0° |
| H81 | C8 | C7 | C6 | 3.5° | 60.0° |
| H81 | C8 | C7 | H71 | 116.5° | 180.0° |
| H81 | C8 | C7 | H72 | 122.5° | 60.1° |
| H82 | C8 | C7 | C6 | 124.4° | 60.0° |
| H82 | C8 | C7 | H71 | 4.4° | 60.1° |
| H82 | C8 | C7 | H72 | 116.6° | 180.0° |
| C6 | C7 | H71 | H72 | 119.0° | 119.9° |
| C7 | C6 | C5 | H61 | 120.0° | 120.0° |
| C7 | C6 | C5 | H62 | 119.1° | 120.0° |
| C7 | C6 | H61 | H62 | 119.1° | 119.9° |
| C7 | C6 | C5 | C4 | 140.3° | 180.0° |
| C7 | C6 | C5 | H51 | 99.7° | 60.0° |
| C7 | C6 | C5 | H52 | 21.2° | 60.0° |
| H71 | C7 | C6 | C5 | 14.1° | 60.0° |
| H71 | C7 | C6 | H61 | 105.9° | 180.0° |
| H71 | C7 | C6 | H62 | 133.2° | 60.1° |
| H72 | C7 | C6 | C5 | 135.1° | 60.0° |
| H72 | C7 | C6 | H61 | 15.1° | 60.1° |
| H72 | C7 | C6 | H62 | 105.8° | 180.0° |
| C5 | C6 | H61 | H62 | 119.1° | 120.1° |
| C6 | C5 | C4 | H51 | 120.0° | 120.0° |
| C6 | C5 | C4 | H52 | 119.1° | 120.0° |
| C6 | C5 | H51 | H52 | 119.1° | 120.0° |
| C6 | C5 | C4 | C3 | 137.7° | 180.0° |
| C6 | C5 | C4 | H41 | 17.7° | 60.0° |
| C6 | C5 | C4 | H42 | 103.4° | 60.0° |
| H61 | C6 | C5 | C4 | 20.3° | 60.0° |
| H61 | C6 | C5 | H51 | 140.3° | 180.0° |
| H61 | C6 | C5 | H52 | 98.8° | 60.0° |
| H62 | C6 | C5 | C4 | 100.6° | 60.0° |
| H62 | C6 | C5 | H51 | 19.4° | 60.0° |
| H62 | C6 | C5 | H52 | 140.3° | 180.0° |
| C4 | C5 | H51 | H52 | 119.1° | 120.0° |
| C5 | C4 | C3 | H41 | 120.0° | 120.0° |
| C5 | C4 | C3 | H42 | 119.0° | 120.0° |
| C5 | C4 | H41 | H42 | 119.0° | 120.0° |
| C5 | C4 | C3 | C2 | 93.1° | 180.0° |
| C5 | C4 | C3 | H31 | 27.0° | 60.0° |
| C5 | C4 | C3 | H32 | 147.8° | 60.0° |
| H51 | C5 | C4 | C3 | 102.3° | 60.0° |
| H51 | C5 | C4 | H41 | 137.7° | 180.0° |
| H51 | C5 | C4 | H42 | 16.6° | 60.0° |
| H52 | C5 | C4 | C3 | 18.6° | 60.0° |
| H52 | C5 | C4 | H41 | 101.4° | 60.0° |
| H52 | C5 | C4 | H42 | 137.6° | 180.0° |
| C3 | C4 | H41 | H42 | 119.0° | 119.9° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | H32 | 119.1° | 120.0° |
| C4 | C3 | H31 | H32 | 119.1° | 120.0° |
| C4 | C3 | C2 | O2 | 147.2° | 180.0° |
| C4 | C3 | C2 | H21 | 27.2° | 60.0° |
| C4 | C3 | C2 | H22 | 94.4° | 60.0° |
| H41 | C4 | C3 | C2 | 146.9° | 60.0° |
| H41 | C4 | C3 | H31 | 93.0° | 179.9° |
| H41 | C4 | C3 | H32 | 27.8° | 60.0° |
| H42 | C4 | C3 | C2 | 25.9° | 60.0° |
| H42 | C4 | C3 | H31 | 145.9° | 60.0° |
| H42 | C4 | C3 | H32 | 93.3° | 179.9° |
| C2 | C3 | H31 | H32 | 119.2° | 119.9° |
| C3 | C2 | O2 | H21 | 120.0° | 120.0° |
| C3 | C2 | O2 | H22 | 118.4° | 120.0° |
| C3 | C2 | H21 | H22 | 118.4° | 119.9° |
| C3 | C2 | O2 | C1 | 142.7° | 180.0° |
| H31 | C3 | C2 | O2 | 92.8° | 60.0° |
| H31 | C3 | C2 | H21 | 147.2° | 180.0° |
| H31 | C3 | C2 | H22 | 25.6° | 60.0° |
| H32 | C3 | C2 | O2 | 28.1° | 60.0° |
| H32 | C3 | C2 | H21 | 92.0° | 60.0° |
| H32 | C3 | C2 | H22 | 146.4° | 180.0° |
| O2 | C2 | H21 | H22 | 118.5° | 120.0° |
| C2 | O2 | C1 | O1 | 49.4° | 180.0° |
| C2 | O2 | C1 | H1 | 130.6° | 0.0° |
| H21 | C2 | O2 | C1 | 22.7° | 60.0° |
| H22 | C2 | O2 | C1 | 99.0° | 60.0° |
| O2 | C1 | O1 | H1 | 180.0° | 180.0° |
