16P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| O1 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | O2 | sing | 1.43Å | 1.42Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| O2 | C5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | O3 | sing | 1.43Å | 1.42Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O3 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | O4 | sing | 1.43Å | 1.44Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| O4 | C9 | sing | 1.43Å | 1.42Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | O5 | sing | 1.43Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| O5 | C11 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O6 | sing | 1.43Å | 1.42Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O6 | C13 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | O1 | 116.7° | 109.5° |
| C1 | C2 | H21 | 107.1° | 109.4° |
| C1 | C2 | H22 | 105.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| O1 | C2 | H21 | 107.1° | 109.5° |
| O1 | C2 | H22 | 105.5° | 109.5° |
| C2 | O1 | C3 | 101.5° | 114.0° |
| H21 | C2 | H22 | 115.3° | 109.5° |
| O1 | C3 | C4 | 115.5° | 109.4° |
| O1 | C3 | H31 | 107.5° | 109.5° |
| O1 | C3 | H32 | 106.1° | 109.5° |
| C4 | C3 | H31 | 107.5° | 109.5° |
| C4 | C3 | H32 | 106.2° | 109.5° |
| C3 | C4 | O2 | 106.4° | 109.5° |
| C3 | C4 | H41 | 110.5° | 109.4° |
| C3 | C4 | H42 | 111.2° | 109.5° |
| H31 | C3 | H32 | 114.3° | 109.5° |
| O2 | C4 | H41 | 110.5° | 109.5° |
| O2 | C4 | H42 | 111.2° | 109.4° |
| C4 | O2 | C5 | 109.9° | 114.0° |
| H41 | C4 | H42 | 107.1° | 109.5° |
| O2 | C5 | C6 | 108.9° | 109.5° |
| O2 | C5 | H51 | 109.6° | 109.5° |
| O2 | C5 | H52 | 109.8° | 109.5° |
| C6 | C5 | H51 | 109.7° | 109.4° |
| C6 | C5 | H52 | 109.8° | 109.5° |
| C5 | C6 | O3 | 108.0° | 109.5° |
| C5 | C6 | H61 | 109.9° | 109.5° |
| C5 | C6 | H62 | 110.3° | 109.4° |
| H51 | C5 | H52 | 109.0° | 109.4° |
| O3 | C6 | H61 | 110.0° | 109.5° |
| O3 | C6 | H62 | 110.3° | 109.5° |
| C6 | O3 | C7 | 109.0° | 114.0° |
| H61 | C6 | H62 | 108.4° | 109.5° |
| O3 | C7 | C8 | 110.3° | 109.5° |
| O3 | C7 | H71 | 109.2° | 109.5° |
| O3 | C7 | H72 | 109.0° | 109.5° |
| C8 | C7 | H71 | 109.2° | 109.5° |
| C8 | C7 | H72 | 109.0° | 109.4° |
| C7 | C8 | O4 | 108.1° | 109.4° |
| C7 | C8 | H81 | 109.9° | 109.5° |
| C7 | C8 | H82 | 110.2° | 109.5° |
| H71 | C7 | H72 | 110.1° | 109.4° |
| O4 | C8 | H81 | 109.9° | 109.5° |
| O4 | C8 | H82 | 110.2° | 109.5° |
| C8 | O4 | C9 | 114.0° | 113.9° |
| H81 | C8 | H82 | 108.4° | 109.5° |
| O4 | C9 | C10 | 106.0° | 109.5° |
| O4 | C9 | H91 | 110.7° | 109.5° |
| O4 | C9 | H92 | 111.4° | 109.5° |
| C10 | C9 | H91 | 110.6° | 109.4° |
| C10 | C9 | H92 | 111.4° | 109.4° |
| C9 | C10 | O5 | 108.1° | 109.5° |
| C9 | C10 | H101 | 109.9° | 109.5° |
| C9 | C10 | H102 | 110.2° | 109.4° |
| H91 | C9 | H92 | 106.8° | 109.5° |
| O5 | C10 | H101 | 109.9° | 109.5° |
| O5 | C10 | H102 | 110.2° | 109.4° |
| C10 | O5 | C11 | 111.5° | 114.0° |
| H101 | C10 | H102 | 108.4° | 109.5° |
| O5 | C11 | C12 | 108.8° | 109.5° |
| O5 | C11 | H111 | 109.7° | 109.5° |
| O5 | C11 | H112 | 109.9° | 109.5° |
| C12 | C11 | H111 | 109.7° | 109.5° |
| C12 | C11 | H112 | 109.9° | 109.4° |
| C11 | C12 | O6 | 109.4° | 109.4° |
| C11 | C12 | H121 | 109.5° | 109.5° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| H111 | C11 | H112 | 108.9° | 109.4° |
| O6 | C12 | H121 | 109.5° | 109.5° |
| O6 | C12 | H122 | 109.5° | 109.5° |
| C12 | O6 | C13 | 113.9° | 114.0° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| O6 | C13 | C14 | 109.4° | 109.5° |
| O6 | C13 | H131 | 109.5° | 109.5° |
| O6 | C13 | H132 | 109.5° | 109.5° |
| C14 | C13 | H131 | 109.5° | 109.5° |
| C14 | C13 | H132 | 109.5° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.4° |
| C13 | C14 | H142 | 109.4° | 109.5° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.1° |
| C1 | C2 | O1 | H21 | 120.0° | 120.0° |
| C1 | C2 | O1 | H22 | 116.7° | 120.0° |
| C1 | C2 | H21 | H22 | 117.1° | 120.0° |
| C1 | C2 | O1 | C3 | 151.5° | 180.0° |
| H11 | C1 | H12 | H13 | 120.0° | 119.9° |
| H11 | C1 | C2 | O1 | 165.4° | 180.0° |
| H11 | C1 | C2 | H21 | 74.6° | 60.0° |
| H11 | C1 | C2 | H22 | 48.7° | 60.0° |
| H12 | C1 | C2 | O1 | 74.6° | 60.0° |
| H12 | C1 | C2 | H21 | 45.4° | 60.0° |
| H12 | C1 | C2 | H22 | 168.8° | 180.0° |
| H13 | C1 | C2 | O1 | 45.4° | 60.0° |
| H13 | C1 | C2 | H21 | 165.4° | 180.0° |
| H13 | C1 | C2 | H22 | 71.3° | 60.0° |
| O1 | C2 | H21 | H22 | 117.0° | 120.0° |
| C2 | O1 | C3 | C4 | 157.2° | 180.0° |
| C2 | O1 | C3 | H31 | 82.8° | 60.1° |
| C2 | O1 | C3 | H32 | 39.8° | 60.0° |
| H21 | C2 | O1 | C3 | 31.5° | 60.0° |
| H22 | C2 | O1 | C3 | 91.8° | 60.0° |
| O1 | C3 | C4 | H31 | 120.0° | 120.0° |
| O1 | C3 | C4 | H32 | 117.3° | 120.0° |
| O1 | C3 | H31 | H32 | 117.5° | 120.0° |
| O1 | C3 | C4 | O2 | 72.4° | 65.0° |
| O1 | C3 | C4 | H41 | 47.6° | 175.0° |
| O1 | C3 | C4 | H42 | 166.5° | 55.0° |
| C4 | C3 | H31 | H32 | 117.6° | 120.0° |
| C3 | C4 | O2 | H41 | 120.0° | 120.0° |
| C3 | C4 | O2 | H42 | 121.2° | 120.0° |
| C3 | C4 | H41 | H42 | 121.3° | 120.0° |
| C3 | C4 | O2 | C5 | 179.0° | 180.0° |
| H31 | C3 | C4 | O2 | 167.7° | 55.0° |
| H31 | C3 | C4 | H41 | 72.3° | 65.0° |
| H31 | C3 | C4 | H42 | 46.5° | 174.9° |
| H32 | C3 | C4 | O2 | 44.9° | 175.0° |
| H32 | C3 | C4 | H41 | 164.9° | 55.0° |
| H32 | C3 | C4 | H42 | 76.2° | 65.0° |
| O2 | C4 | H41 | H42 | 121.2° | 120.0° |
| C4 | O2 | C5 | C6 | 179.5° | 179.9° |
| C4 | O2 | C5 | H51 | 59.5° | 60.0° |
| C4 | O2 | C5 | H52 | 60.3° | 60.0° |
| H41 | C4 | O2 | C5 | 59.0° | 60.0° |
| H42 | C4 | O2 | C5 | 59.8° | 60.0° |
| O2 | C5 | C6 | H51 | 120.0° | 120.0° |
| O2 | C5 | C6 | H52 | 120.2° | 120.1° |
| O2 | C5 | H51 | H52 | 120.2° | 120.0° |
| O2 | C5 | C6 | O3 | 59.3° | 65.0° |
| O2 | C5 | C6 | H61 | 179.3° | 175.0° |
| O2 | C5 | C6 | H62 | 61.3° | 55.0° |
| C6 | C5 | H51 | H52 | 120.2° | 120.0° |
| C5 | C6 | O3 | H61 | 120.0° | 120.0° |
| C5 | C6 | O3 | H62 | 120.6° | 120.0° |
| C5 | C6 | H61 | H62 | 120.6° | 119.9° |
| C5 | C6 | O3 | C7 | 163.2° | 180.0° |
| H51 | C5 | C6 | O3 | 60.7° | 55.0° |
| H51 | C5 | C6 | H61 | 59.3° | 65.0° |
| H51 | C5 | C6 | H62 | 178.7° | 175.0° |
| H52 | C5 | C6 | O3 | 179.5° | 175.0° |
| H52 | C5 | C6 | H61 | 60.5° | 54.9° |
| H52 | C5 | C6 | H62 | 59.0° | 65.0° |
| O3 | C6 | H61 | H62 | 120.6° | 120.0° |
| C6 | O3 | C7 | C8 | 178.6° | 180.0° |
| C6 | O3 | C7 | H71 | 61.4° | 60.0° |
| C6 | O3 | C7 | H72 | 59.0° | 60.0° |
| H61 | C6 | O3 | C7 | 43.2° | 60.0° |
| H62 | C6 | O3 | C7 | 76.2° | 60.0° |
| O3 | C7 | C8 | H71 | 120.0° | 120.1° |
| O3 | C7 | C8 | H72 | 119.7° | 120.0° |
| O3 | C7 | H71 | H72 | 119.7° | 120.0° |
| O3 | C7 | C8 | O4 | 57.5° | 65.0° |
| O3 | C7 | C8 | H81 | 177.5° | 175.0° |
| O3 | C7 | C8 | H82 | 63.1° | 55.0° |
| C8 | C7 | H71 | H72 | 119.7° | 119.9° |
| C7 | C8 | O4 | H81 | 120.0° | 120.0° |
| C7 | C8 | O4 | H82 | 120.5° | 120.0° |
| C7 | C8 | H81 | H82 | 120.5° | 120.0° |
| C7 | C8 | O4 | C9 | 179.9° | 180.0° |
| H71 | C7 | C8 | O4 | 62.5° | 55.0° |
| H71 | C7 | C8 | H81 | 57.5° | 65.0° |
| H71 | C7 | C8 | H82 | 176.9° | 175.0° |
| H72 | C7 | C8 | O4 | 177.2° | 175.0° |
| H72 | C7 | C8 | H81 | 62.9° | 55.0° |
| H72 | C7 | C8 | H82 | 56.6° | 65.0° |
| O4 | C8 | H81 | H82 | 120.6° | 120.1° |
| C8 | O4 | C9 | C10 | 174.5° | 180.0° |
| C8 | O4 | C9 | H91 | 54.4° | 60.0° |
| C8 | O4 | C9 | H92 | 64.2° | 60.0° |
| H81 | C8 | O4 | C9 | 60.1° | 60.0° |
| H82 | C8 | O4 | C9 | 59.4° | 60.0° |
| O4 | C9 | C10 | H91 | 120.0° | 120.1° |
| O4 | C9 | C10 | H92 | 121.4° | 120.0° |
| O4 | C9 | H91 | H92 | 121.4° | 120.1° |
| O4 | C9 | C10 | O5 | 55.6° | 65.0° |
| O4 | C9 | C10 | H101 | 175.6° | 175.0° |
| O4 | C9 | C10 | H102 | 64.9° | 55.0° |
| C10 | C9 | H91 | H92 | 121.4° | 119.9° |
| C9 | C10 | O5 | H101 | 120.0° | 120.0° |
| C9 | C10 | O5 | H102 | 120.6° | 119.9° |
| C9 | C10 | H101 | H102 | 120.6° | 120.0° |
| C9 | C10 | O5 | C11 | 173.7° | 180.0° |
| H91 | C9 | C10 | O5 | 64.4° | 55.1° |
| H91 | C9 | C10 | H101 | 55.6° | 65.0° |
| H91 | C9 | C10 | H102 | 175.0° | 175.0° |
| H92 | C9 | C10 | O5 | 177.0° | 175.0° |
| H92 | C9 | C10 | H101 | 63.0° | 55.0° |
| H92 | C9 | C10 | H102 | 56.4° | 65.0° |
| O5 | C10 | H101 | H102 | 120.5° | 120.0° |
| C10 | O5 | C11 | C12 | 170.0° | 180.0° |
| C10 | O5 | C11 | H111 | 69.9° | 60.0° |
| C10 | O5 | C11 | H112 | 49.7° | 60.0° |
| H101 | C10 | O5 | C11 | 53.7° | 60.0° |
| H102 | C10 | O5 | C11 | 65.8° | 60.0° |
| O5 | C11 | C12 | H111 | 120.0° | 120.0° |
| O5 | C11 | C12 | H112 | 120.3° | 120.0° |
| O5 | C11 | H111 | H112 | 120.3° | 120.0° |
| O5 | C11 | C12 | O6 | 58.5° | 65.0° |
| O5 | C11 | C12 | H121 | 61.5° | 175.0° |
| O5 | C11 | C12 | H122 | 178.5° | 55.0° |
| C12 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C12 | O6 | H121 | 120.0° | 120.0° |
| C11 | C12 | O6 | H122 | 120.0° | 119.9° |
| C11 | C12 | H121 | H122 | 120.0° | 120.0° |
| C11 | C12 | O6 | C13 | 168.2° | 180.0° |
| H111 | C11 | C12 | O6 | 178.5° | 55.0° |
| H111 | C11 | C12 | H121 | 58.5° | 65.0° |
| H111 | C11 | C12 | H122 | 61.4° | 175.0° |
| H112 | C11 | C12 | O6 | 61.8° | 175.0° |
| H112 | C11 | C12 | H121 | 178.2° | 55.0° |
| H112 | C11 | C12 | H122 | 58.2° | 65.0° |
| O6 | C12 | H121 | H122 | 120.1° | 120.0° |
| C12 | O6 | C13 | C14 | 152.9° | 180.0° |
| C12 | O6 | C13 | H131 | 87.1° | 60.0° |
| C12 | O6 | C13 | H132 | 32.8° | 60.0° |
| H121 | C12 | O6 | C13 | 71.8° | 60.0° |
| H122 | C12 | O6 | C13 | 48.2° | 60.1° |
| O6 | C13 | C14 | H131 | 120.0° | 120.0° |
| O6 | C13 | C14 | H132 | 120.0° | 120.0° |
| O6 | C13 | H131 | H132 | 120.0° | 120.0° |
| O6 | C13 | C14 | H141 | 153.8° | 180.0° |
| O6 | C13 | C14 | H142 | 33.8° | 60.0° |
| O6 | C13 | C14 | H143 | 86.2° | 60.0° |
| C14 | C13 | H131 | H132 | 120.1° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 86.2° | 60.0° |
| H131 | C13 | C14 | H142 | 153.8° | 180.0° |
| H131 | C13 | C14 | H143 | 33.8° | 59.9° |
| H132 | C13 | C14 | H141 | 33.8° | 60.0° |
| H132 | C13 | C14 | H142 | 86.2° | 60.0° |
| H132 | C13 | C14 | H143 | 153.8° | 180.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
