DCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | P1 | sing | 1.82Å | 1.80Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| O4 | P1 | doub | 1.48Å | 1.59Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C4 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | 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 | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C4 | P1 | sing | 1.82Å | 1.82Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| P1 | C2 | sing | 1.82Å | 1.82Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | C3 | H31 | 109.5° | 109.5° |
| P1 | C3 | H32 | 109.4° | 109.5° |
| P1 | C3 | H33 | 109.5° | 109.5° |
| C3 | P1 | O4 | 108.0° | 109.5° |
| C3 | P1 | C4 | 111.3° | 109.5° |
| C3 | P1 | C2 | 108.6° | 109.5° |
| H31 | C3 | H32 | 109.4° | 109.4° |
| H31 | C3 | H33 | 109.4° | 109.4° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| O4 | P1 | C4 | 108.9° | 109.5° |
| O4 | P1 | C2 | 107.8° | 109.5° |
| C7 | C6 | C4 | 113.6° | 109.5° |
| C7 | C6 | H61 | 108.1° | 109.4° |
| C7 | C6 | H62 | 107.2° | 109.5° |
| C6 | C7 | C8 | 111.6° | 109.5° |
| C6 | C7 | H71 | 108.8° | 109.5° |
| C6 | C7 | H72 | 108.3° | 109.5° |
| C4 | C6 | H61 | 108.1° | 109.5° |
| C4 | C6 | H62 | 107.2° | 109.5° |
| C6 | C4 | P1 | 111.2° | 109.4° |
| C6 | C4 | H41 | 108.9° | 109.5° |
| C6 | C4 | H42 | 108.5° | 109.5° |
| H61 | C6 | H62 | 112.7° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| C14 | C13 | C12 | 109.7° | 109.5° |
| C14 | C13 | H131 | 109.4° | 109.5° |
| C14 | C13 | H132 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| C12 | C13 | H131 | 109.4° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C13 | C12 | C11 | 111.4° | 109.4° |
| C13 | C12 | H121 | 108.8° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.4° |
| H131 | C13 | H132 | 109.6° | 109.5° |
| C11 | C12 | H121 | 108.8° | 109.5° |
| C11 | C12 | H122 | 108.4° | 109.5° |
| C12 | C11 | C10 | 111.0° | 109.4° |
| C12 | C11 | H111 | 109.0° | 109.5° |
| C12 | C11 | H112 | 108.6° | 109.5° |
| H121 | C12 | H122 | 111.0° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.5° |
| C10 | C11 | H112 | 108.6° | 109.4° |
| C11 | C10 | C9 | 112.0° | 109.5° |
| C11 | C10 | H101 | 108.6° | 109.5° |
| C11 | C10 | H102 | 108.1° | 109.5° |
| H111 | C11 | H112 | 110.7° | 109.5° |
| C9 | C10 | H101 | 108.6° | 109.4° |
| C9 | C10 | H102 | 108.0° | 109.4° |
| C10 | C9 | C8 | 108.8° | 109.5° |
| C10 | C9 | H91 | 109.7° | 109.5° |
| C10 | C9 | H92 | 109.8° | 109.4° |
| H101 | C10 | H102 | 111.5° | 109.5° |
| C8 | C9 | H91 | 109.7° | 109.4° |
| C8 | C9 | H92 | 109.8° | 109.5° |
| C9 | C8 | C7 | 114.8° | 109.5° |
| C9 | C8 | H81 | 107.7° | 109.5° |
| C9 | C8 | H82 | 106.5° | 109.5° |
| H91 | C9 | H92 | 109.0° | 109.5° |
| C7 | C8 | H81 | 107.8° | 109.5° |
| C7 | C8 | H82 | 106.5° | 109.5° |
| C8 | C7 | H71 | 108.8° | 109.5° |
| C8 | C7 | H72 | 108.3° | 109.5° |
| H81 | C8 | H82 | 113.7° | 109.4° |
| H71 | C7 | H72 | 111.1° | 109.4° |
| P1 | C4 | H41 | 108.9° | 109.5° |
| P1 | C4 | H42 | 108.5° | 109.4° |
| C4 | P1 | C2 | 112.1° | 109.5° |
| H41 | C4 | H42 | 110.8° | 109.5° |
| P1 | C2 | H21 | 109.5° | 109.5° |
| P1 | C2 | H22 | 109.5° | 109.5° |
| P1 | C2 | H23 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.4° | 109.4° |
| H21 | C2 | H23 | 109.4° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| P1 | C3 | H31 | H32 | 120.0° | 120.0° |
| P1 | C3 | H31 | H33 | 120.0° | 120.0° |
| P1 | C3 | H32 | H33 | 120.0° | 120.0° |
| C3 | P1 | O4 | C4 | 121.0° | 120.0° |
| C3 | P1 | O4 | C2 | 117.2° | 120.0° |
| C3 | P1 | C4 | C6 | 21.9° | 175.0° |
| C3 | P1 | C4 | C2 | 121.8° | 120.0° |
| C3 | P1 | C4 | H41 | 141.9° | 65.0° |
| C3 | P1 | C4 | H42 | 97.4° | 55.0° |
| C3 | P1 | C2 | H21 | 0.7° | 60.0° |
| C3 | P1 | C2 | H22 | 120.7° | 180.0° |
| C3 | P1 | C2 | H23 | 119.3° | 60.0° |
| H31 | C3 | H32 | H33 | 120.0° | 119.9° |
| H31 | C3 | P1 | O4 | 91.3° | 60.0° |
| H31 | C3 | P1 | C4 | 28.3° | 180.0° |
| H31 | C3 | P1 | C2 | 152.1° | 60.0° |
| H32 | C3 | P1 | O4 | 148.7° | 180.0° |
| H32 | C3 | P1 | C4 | 91.7° | 60.0° |
| H32 | C3 | P1 | C2 | 32.1° | 60.0° |
| H33 | C3 | P1 | O4 | 28.7° | 60.0° |
| H33 | C3 | P1 | C4 | 148.3° | 60.0° |
| H33 | C3 | P1 | C2 | 87.9° | 180.0° |
| O4 | P1 | C4 | C6 | 140.9° | 55.0° |
| O4 | P1 | C4 | C2 | 119.2° | 120.0° |
| O4 | P1 | C4 | H41 | 99.1° | 175.0° |
| O4 | P1 | C4 | H42 | 21.6° | 65.0° |
| O4 | P1 | C2 | H21 | 117.5° | 60.0° |
| O4 | P1 | C2 | H22 | 122.5° | 60.0° |
| O4 | P1 | C2 | H23 | 2.5° | 180.0° |
| C7 | C6 | C4 | H61 | 120.0° | 119.9° |
| C7 | C6 | C4 | H62 | 118.2° | 120.0° |
| C7 | C6 | H61 | H62 | 118.3° | 120.0° |
| C6 | C7 | C8 | C9 | 143.6° | 180.0° |
| C6 | C7 | C8 | H71 | 120.0° | 120.0° |
| C6 | C7 | C8 | H72 | 119.1° | 120.0° |
| C6 | C7 | C8 | H81 | 23.6° | 60.0° |
| C6 | C7 | C8 | H82 | 98.8° | 59.9° |
| C6 | C7 | H71 | H72 | 119.1° | 120.0° |
| C7 | C6 | C4 | P1 | 105.3° | 180.0° |
| C7 | C6 | C4 | H41 | 134.7° | 60.0° |
| C7 | C6 | C4 | H42 | 14.0° | 60.0° |
| C4 | C6 | H61 | H62 | 118.3° | 120.1° |
| C4 | C6 | C7 | C8 | 65.9° | 180.0° |
| C4 | C6 | C7 | H71 | 174.1° | 60.0° |
| C4 | C6 | C7 | H72 | 53.2° | 60.0° |
| C6 | C4 | P1 | H41 | 120.0° | 120.0° |
| C6 | C4 | P1 | H42 | 119.3° | 120.0° |
| C6 | C4 | H41 | H42 | 119.3° | 120.1° |
| C6 | C4 | P1 | C2 | 100.0° | 65.0° |
| H61 | C6 | C7 | C8 | 174.1° | 60.1° |
| H61 | C6 | C7 | H71 | 54.1° | 60.0° |
| H61 | C6 | C7 | H72 | 66.8° | 180.0° |
| H61 | C6 | C4 | P1 | 14.7° | 60.0° |
| H61 | C6 | C4 | H41 | 105.3° | 180.0° |
| H61 | C6 | C4 | H42 | 134.0° | 59.9° |
| H62 | C6 | C7 | C8 | 52.3° | 59.9° |
| H62 | C6 | C7 | H71 | 67.7° | NaN° |
| H62 | C6 | C7 | H72 | 171.4° | 60.0° |
| H62 | C6 | C4 | P1 | 136.5° | 60.0° |
| H62 | C6 | C4 | H41 | 16.5° | 60.0° |
| H62 | C6 | C4 | H42 | 104.2° | 180.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C14 | C13 | C12 | H132 | 119.9° | 119.9° |
| C14 | C13 | H131 | H132 | 119.9° | 119.9° |
| C14 | C13 | C12 | C11 | 107.0° | 180.0° |
| C14 | C13 | C12 | H121 | 13.0° | 60.0° |
| C14 | C13 | C12 | H122 | 133.8° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H141 | C14 | C13 | C12 | 65.1° | 180.0° |
| H141 | C14 | C13 | H131 | 54.9° | 60.0° |
| H141 | C14 | C13 | H132 | 175.0° | 60.0° |
| H142 | C14 | C13 | C12 | 54.9° | 60.0° |
| H142 | C14 | C13 | H131 | 174.9° | 60.1° |
| H142 | C14 | C13 | H132 | 65.0° | 179.9° |
| H143 | C14 | C13 | C12 | 174.9° | 60.0° |
| H143 | C14 | C13 | H131 | 65.1° | 180.0° |
| H143 | C14 | C13 | H132 | 55.0° | 60.0° |
| C12 | C13 | H131 | H132 | 119.9° | 120.0° |
| C13 | C12 | C11 | H121 | 120.0° | 120.0° |
| C13 | C12 | C11 | H122 | 119.2° | 119.9° |
| C13 | C12 | H121 | H122 | 119.2° | 120.0° |
| C13 | C12 | C11 | C10 | 144.9° | 180.0° |
| C13 | C12 | C11 | H111 | 24.9° | 60.0° |
| C13 | C12 | C11 | H112 | 95.8° | 60.0° |
| H131 | C13 | C12 | C11 | 133.0° | 60.0° |
| H131 | C13 | C12 | H121 | 107.0° | 180.0° |
| H131 | C13 | C12 | H122 | 13.8° | 60.0° |
| H132 | C13 | C12 | C11 | 12.9° | 60.1° |
| H132 | C13 | C12 | H121 | 132.9° | 59.9° |
| H132 | C13 | C12 | H122 | 106.3° | 180.0° |
| C11 | C12 | H121 | H122 | 119.2° | 120.1° |
| C12 | C11 | C10 | H111 | 120.0° | 120.0° |
| C12 | C11 | C10 | H112 | 119.3° | 120.0° |
| C12 | C11 | H111 | H112 | 119.4° | 120.1° |
| C12 | C11 | C10 | C9 | 107.7° | 180.0° |
| C12 | C11 | C10 | H101 | 132.3° | 60.0° |
| C12 | C11 | C10 | H102 | 11.2° | 60.1° |
| H121 | C12 | C11 | C10 | 95.1° | 60.0° |
| H121 | C12 | C11 | H111 | 144.9° | 180.0° |
| H121 | C12 | C11 | H112 | 24.2° | 60.0° |
| H122 | C12 | C11 | C10 | 25.7° | 60.1° |
| H122 | C12 | C11 | H111 | 94.3° | 59.9° |
| H122 | C12 | C11 | H112 | 145.0° | 180.0° |
| C10 | C11 | H111 | H112 | 119.3° | 120.0° |
| C11 | C10 | C9 | H101 | 120.0° | 120.0° |
| C11 | C10 | C9 | H102 | 118.9° | 120.0° |
| C11 | C10 | H101 | H102 | 119.0° | 120.1° |
| C11 | C10 | C9 | C8 | 152.7° | 180.0° |
| C11 | C10 | C9 | H91 | 87.3° | 60.0° |
| C11 | C10 | C9 | H92 | 32.4° | 60.0° |
| H111 | C11 | C10 | C9 | 12.3° | 60.0° |
| H111 | C11 | C10 | H101 | 107.7° | 180.0° |
| H111 | C11 | C10 | H102 | 131.2° | 59.9° |
| H112 | C11 | C10 | C9 | 133.0° | 60.0° |
| H112 | C11 | C10 | H101 | 12.9° | 60.0° |
| H112 | C11 | C10 | H102 | 108.1° | 179.9° |
| C9 | C10 | H101 | H102 | 118.9° | 119.9° |
| C10 | C9 | C8 | H91 | 120.0° | 120.0° |
| C10 | C9 | C8 | H92 | 120.3° | 120.0° |
| C10 | C9 | H91 | H92 | 120.2° | 120.0° |
| C10 | C9 | C8 | C7 | 179.7° | 180.0° |
| C10 | C9 | C8 | H81 | 59.7° | 60.0° |
| C10 | C9 | C8 | H82 | 62.7° | 60.0° |
| H101 | C10 | C9 | C8 | 32.6° | 60.0° |
| H101 | C10 | C9 | H91 | 152.6° | 180.0° |
| H101 | C10 | C9 | H92 | 87.6° | 60.0° |
| H102 | C10 | C9 | C8 | 88.4° | 60.0° |
| H102 | C10 | C9 | H91 | 31.6° | 60.0° |
| H102 | C10 | C9 | H92 | 151.3° | 180.0° |
| C8 | C9 | H91 | H92 | 120.3° | 120.1° |
| C9 | C8 | C7 | H81 | 120.0° | 120.0° |
| C9 | C8 | C7 | H82 | 117.6° | 120.1° |
| C9 | C8 | H81 | H82 | 117.8° | 120.0° |
| C9 | C8 | C7 | H71 | 23.6° | 60.0° |
| C9 | C8 | C7 | H72 | 97.3° | 60.0° |
| H91 | C9 | C8 | C7 | 60.3° | 60.1° |
| H91 | C9 | C8 | H81 | 179.7° | 180.0° |
| H91 | C9 | C8 | H82 | 57.3° | 60.0° |
| H92 | C9 | C8 | C7 | 59.4° | 60.0° |
| H92 | C9 | C8 | H81 | 60.6° | 60.0° |
| H92 | C9 | C8 | H82 | 177.1° | 180.0° |
| C7 | C8 | H81 | H82 | 117.8° | 120.0° |
| C8 | C7 | H71 | H72 | 119.1° | 120.0° |
| H81 | C8 | C7 | H71 | 96.4° | 60.0° |
| H81 | C8 | C7 | H72 | 142.7° | 180.0° |
| H82 | C8 | C7 | H71 | 141.2° | 180.0° |
| H82 | C8 | C7 | H72 | 20.4° | 60.0° |
| P1 | C4 | H41 | H42 | 119.3° | 120.0° |
| C4 | P1 | C2 | H21 | 122.7° | 180.0° |
| C4 | P1 | C2 | H22 | 2.7° | 60.0° |
| C4 | P1 | C2 | H23 | 117.3° | 60.0° |
| H41 | C4 | P1 | C2 | 20.0° | 55.0° |
| H42 | C4 | P1 | C2 | 140.8° | 175.0° |
| P1 | C2 | H21 | H22 | 120.0° | 120.0° |
| P1 | C2 | H21 | H23 | 120.0° | 120.0° |
| P1 | C2 | H22 | H23 | 120.0° | 120.0° |
| H21 | C2 | H22 | H23 | 120.0° | 120.0° |
