P15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | O6 | sing | 1.43Å | 1.43Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| O6 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | O5 | sing | 1.43Å | 1.43Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| O5 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | O4 | sing | 1.43Å | 1.43Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O4 | C8 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C7 | O3 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O3 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | OXT | sing | 1.43Å | 1.43Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| OXT | HOXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C13 | H131 | 109.4° | 109.4° |
| O6 | C13 | H132 | 109.5° | 109.4° |
| O6 | C13 | H133 | 109.5° | 109.5° |
| C13 | O6 | C12 | 112.9° | 106.8° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| O6 | C12 | C11 | 110.0° | 109.5° |
| O6 | C12 | H121 | 109.2° | 109.5° |
| O6 | C12 | H122 | 109.3° | 109.5° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| C12 | C11 | O5 | 109.6° | 109.5° |
| C12 | C11 | H111 | 109.4° | 109.5° |
| C12 | C11 | H112 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.9° | 109.4° |
| O5 | C11 | H111 | 109.4° | 109.5° |
| O5 | C11 | H112 | 109.4° | 109.5° |
| C11 | O5 | C10 | 113.4° | 106.8° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| O5 | C10 | C9 | 109.6° | 109.5° |
| O5 | C10 | H101 | 109.4° | 109.5° |
| O5 | C10 | H102 | 109.4° | 109.5° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C10 | C9 | O4 | 109.2° | 109.4° |
| C10 | C9 | H91 | 109.6° | 109.5° |
| C10 | C9 | H92 | 109.6° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| O4 | C9 | H91 | 109.6° | 109.5° |
| O4 | C9 | H92 | 109.6° | 109.5° |
| C9 | O4 | C8 | 112.9° | 106.8° |
| H91 | C9 | H92 | 109.3° | 109.5° |
| O4 | C8 | C7 | 111.1° | 109.5° |
| O4 | C8 | H81 | 108.6° | 109.5° |
| O4 | C8 | H82 | 108.9° | 109.5° |
| C7 | C8 | H81 | 108.6° | 109.4° |
| C7 | C8 | H82 | 108.9° | 109.5° |
| C8 | C7 | O3 | 107.8° | 109.5° |
| C8 | C7 | H71 | 110.4° | 109.5° |
| C8 | C7 | H72 | 110.0° | 109.5° |
| H81 | C8 | H82 | 110.8° | 109.5° |
| O3 | C7 | H71 | 110.4° | 109.5° |
| O3 | C7 | H72 | 110.0° | 109.5° |
| C7 | O3 | C6 | 115.4° | 106.8° |
| H71 | C7 | H72 | 108.2° | 109.4° |
| O3 | C6 | C5 | 108.4° | 109.5° |
| O3 | C6 | H61 | 110.1° | 109.4° |
| O3 | C6 | H62 | 109.9° | 109.5° |
| C5 | C6 | H61 | 110.1° | 109.5° |
| C5 | C6 | H62 | 109.8° | 109.5° |
| C6 | C5 | O2 | 108.4° | 109.5° |
| C6 | C5 | H51 | 110.0° | 109.5° |
| C6 | C5 | H52 | 109.8° | 109.5° |
| H61 | C6 | H62 | 108.6° | 109.5° |
| O2 | C5 | H51 | 110.1° | 109.5° |
| O2 | C5 | H52 | 109.8° | 109.4° |
| C5 | O2 | C4 | 113.7° | 106.8° |
| H51 | C5 | H52 | 108.7° | 109.5° |
| O2 | C4 | C3 | 108.8° | 109.5° |
| O2 | C4 | H41 | 109.9° | 109.5° |
| O2 | C4 | H42 | 109.7° | 109.5° |
| C3 | C4 | H41 | 109.9° | 109.5° |
| C3 | C4 | H42 | 109.7° | 109.4° |
| C4 | C3 | O1 | 109.7° | 109.4° |
| C4 | C3 | H31 | 109.3° | 109.5° |
| C4 | C3 | H32 | 109.4° | 109.5° |
| H41 | C4 | H42 | 108.9° | 109.4° |
| O1 | C3 | H31 | 109.3° | 109.5° |
| O1 | C3 | H32 | 109.4° | 109.4° |
| C3 | O1 | C2 | 114.6° | 106.8° |
| H31 | C3 | H32 | 109.6° | 109.5° |
| O1 | C2 | C1 | 111.8° | 109.5° |
| O1 | C2 | H21 | 108.2° | 109.5° |
| O1 | C2 | H22 | 108.7° | 109.5° |
| C1 | C2 | H21 | 108.2° | 109.5° |
| C1 | C2 | H22 | 108.7° | 109.4° |
| C2 | C1 | OXT | 110.7° | 109.5° |
| C2 | C1 | H11 | 108.8° | 109.5° |
| C2 | C1 | H12 | 109.1° | 109.5° |
| H21 | C2 | H22 | 111.3° | 109.5° |
| OXT | C1 | H11 | 108.8° | 109.5° |
| OXT | C1 | H12 | 109.1° | 109.5° |
| C1 | OXT | HOXT | 109.5° | 106.8° |
| H11 | C1 | H12 | 110.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C13 | H131 | H132 | 120.0° | 119.9° |
| O6 | C13 | H131 | H133 | 120.0° | 120.0° |
| O6 | C13 | H132 | H133 | 120.0° | 120.0° |
| C13 | O6 | C12 | C11 | 156.6° | 180.0° |
| C13 | O6 | C12 | H121 | 36.8° | 60.0° |
| C13 | O6 | C12 | H122 | 83.4° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| H131 | C13 | O6 | C12 | 55.8° | 60.0° |
| H132 | C13 | O6 | C12 | 64.3° | 180.0° |
| H133 | C13 | O6 | C12 | 175.7° | 60.0° |
| O6 | C12 | C11 | H121 | 119.8° | 120.1° |
| O6 | C12 | C11 | H122 | 120.0° | 120.0° |
| O6 | C12 | H121 | H122 | 119.8° | 120.0° |
| O6 | C12 | C11 | O5 | 57.5° | 65.0° |
| O6 | C12 | C11 | H111 | 62.5° | 175.0° |
| O6 | C12 | C11 | H112 | 177.5° | 55.0° |
| C11 | C12 | H121 | H122 | 119.9° | 120.0° |
| C12 | C11 | O5 | H111 | 120.0° | 120.0° |
| C12 | C11 | O5 | H112 | 120.0° | 120.0° |
| C12 | C11 | H111 | H112 | 120.0° | 120.0° |
| C12 | C11 | O5 | C10 | 166.3° | 180.0° |
| H121 | C12 | C11 | O5 | 177.3° | 55.0° |
| H121 | C12 | C11 | H111 | 57.3° | 65.0° |
| H121 | C12 | C11 | H112 | 62.7° | 175.1° |
| H122 | C12 | C11 | O5 | 62.5° | 175.0° |
| H122 | C12 | C11 | H111 | 177.5° | 55.0° |
| H122 | C12 | C11 | H112 | 57.5° | 65.0° |
| O5 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | O5 | C10 | C9 | 163.3° | 180.0° |
| C11 | O5 | C10 | H101 | 43.3° | 60.0° |
| C11 | O5 | C10 | H102 | 76.7° | 60.0° |
| H111 | C11 | O5 | C10 | 46.3° | 60.0° |
| H112 | C11 | O5 | C10 | 73.7° | 60.0° |
| O5 | C10 | C9 | H101 | 120.0° | 120.1° |
| O5 | C10 | C9 | H102 | 120.0° | 120.0° |
| O5 | C10 | H101 | H102 | 120.0° | 120.0° |
| O5 | C10 | C9 | O4 | 115.6° | 65.0° |
| O5 | C10 | C9 | H91 | 124.3° | 175.0° |
| O5 | C10 | C9 | H92 | 4.4° | 55.0° |
| C9 | C10 | H101 | H102 | 120.0° | 119.9° |
| C10 | C9 | O4 | H91 | 120.1° | 120.0° |
| C10 | C9 | O4 | H92 | 120.0° | 119.9° |
| C10 | C9 | H91 | H92 | 120.1° | 120.0° |
| C10 | C9 | O4 | C8 | 132.1° | 180.0° |
| H101 | C10 | C9 | O4 | 4.4° | 55.1° |
| H101 | C10 | C9 | H91 | 115.7° | 64.9° |
| H101 | C10 | C9 | H92 | 124.3° | 175.0° |
| H102 | C10 | C9 | O4 | 124.4° | 175.0° |
| H102 | C10 | C9 | H91 | 4.3° | 55.0° |
| H102 | C10 | C9 | H92 | 115.6° | 65.1° |
| O4 | C9 | H91 | H92 | 120.1° | 120.0° |
| C9 | O4 | C8 | C7 | 175.1° | 180.0° |
| C9 | O4 | C8 | H81 | 65.6° | 60.0° |
| C9 | O4 | C8 | H82 | 55.1° | 60.0° |
| H91 | C9 | O4 | C8 | 107.8° | 60.0° |
| H92 | C9 | O4 | C8 | 12.1° | 60.0° |
| O4 | C8 | C7 | H81 | 119.3° | 120.0° |
| O4 | C8 | C7 | H82 | 120.0° | 120.0° |
| O4 | C8 | H81 | H82 | 119.6° | 120.1° |
| O4 | C8 | C7 | O3 | 135.0° | 65.0° |
| O4 | C8 | C7 | H71 | 14.3° | 175.0° |
| O4 | C8 | C7 | H72 | 105.0° | 55.0° |
| C7 | C8 | H81 | H82 | 119.6° | 120.0° |
| C8 | C7 | O3 | H71 | 120.7° | 120.1° |
| C8 | C7 | O3 | H72 | 120.0° | 120.0° |
| C8 | C7 | H71 | H72 | 120.4° | 120.0° |
| C8 | C7 | O3 | C6 | 140.1° | 180.0° |
| H81 | C8 | C7 | O3 | 105.7° | 55.0° |
| H81 | C8 | C7 | H71 | 133.6° | 65.0° |
| H81 | C8 | C7 | H72 | 14.3° | 175.0° |
| H82 | C8 | C7 | O3 | 15.0° | 175.0° |
| H82 | C8 | C7 | H71 | 105.7° | 54.9° |
| H82 | C8 | C7 | H72 | 135.0° | 65.0° |
| O3 | C7 | H71 | H72 | 120.4° | 120.0° |
| C7 | O3 | C6 | C5 | 157.9° | 180.0° |
| C7 | O3 | C6 | H61 | 37.5° | 60.0° |
| C7 | O3 | C6 | H62 | 82.1° | 60.0° |
| H71 | C7 | O3 | C6 | 19.5° | 59.9° |
| H72 | C7 | O3 | C6 | 99.9° | 60.0° |
| O3 | C6 | C5 | H61 | 120.4° | 120.0° |
| O3 | C6 | C5 | H62 | 120.0° | 120.0° |
| O3 | C6 | H61 | H62 | 120.3° | 120.0° |
| O3 | C6 | C5 | O2 | 104.0° | 65.0° |
| O3 | C6 | C5 | H51 | 135.6° | 175.0° |
| O3 | C6 | C5 | H52 | 16.0° | 55.0° |
| C5 | C6 | H61 | H62 | 120.3° | 120.0° |
| C6 | C5 | O2 | H51 | 120.4° | 120.0° |
| C6 | C5 | O2 | H52 | 120.0° | 120.0° |
| C6 | C5 | H51 | H52 | 120.3° | 120.0° |
| C6 | C5 | O2 | C4 | 160.4° | 180.0° |
| H61 | C6 | C5 | O2 | 16.4° | 55.0° |
| H61 | C6 | C5 | H51 | 104.0° | 65.0° |
| H61 | C6 | C5 | H52 | 136.4° | 175.0° |
| H62 | C6 | C5 | O2 | 136.0° | 175.0° |
| H62 | C6 | C5 | H51 | 15.6° | 55.0° |
| H62 | C6 | C5 | H52 | 104.0° | 65.0° |
| O2 | C5 | H51 | H52 | 120.3° | 120.0° |
| C5 | O2 | C4 | C3 | 162.3° | 180.0° |
| C5 | O2 | C4 | H41 | 77.4° | 60.0° |
| C5 | O2 | C4 | H42 | 42.3° | 60.0° |
| H51 | C5 | O2 | C4 | 79.2° | 60.0° |
| H52 | C5 | O2 | C4 | 40.4° | 60.0° |
| O2 | C4 | C3 | H41 | 120.3° | 120.1° |
| O2 | C4 | C3 | H42 | 120.0° | 120.0° |
| O2 | C4 | H41 | H42 | 120.2° | 120.0° |
| O2 | C4 | C3 | O1 | 55.3° | 65.0° |
| O2 | C4 | C3 | H31 | 175.2° | 175.0° |
| O2 | C4 | C3 | H32 | 64.7° | 54.9° |
| C3 | C4 | H41 | H42 | 120.2° | 120.0° |
| C4 | C3 | O1 | H31 | 119.9° | 120.0° |
| C4 | C3 | O1 | H32 | 120.0° | 119.9° |
| C4 | C3 | H31 | H32 | 120.0° | 120.0° |
| C4 | C3 | O1 | C2 | 102.7° | 180.0° |
| H41 | C4 | C3 | O1 | 65.0° | 55.0° |
| H41 | C4 | C3 | H31 | 54.9° | 65.0° |
| H41 | C4 | C3 | H32 | 175.0° | 175.0° |
| H42 | C4 | C3 | O1 | 175.3° | 175.0° |
| H42 | C4 | C3 | H31 | 64.8° | 55.0° |
| H42 | C4 | C3 | H32 | 55.3° | 65.0° |
| O1 | C3 | H31 | H32 | 119.9° | 120.0° |
| C3 | O1 | C2 | C1 | 74.5° | 180.0° |
| C3 | O1 | C2 | H21 | 44.5° | 60.0° |
| C3 | O1 | C2 | H22 | 165.5° | 60.0° |
| H31 | C3 | O1 | C2 | 137.4° | 60.0° |
| H32 | C3 | O1 | C2 | 17.3° | 60.1° |
| O1 | C2 | C1 | H21 | 119.0° | 120.0° |
| O1 | C2 | C1 | H22 | 120.0° | 120.0° |
| O1 | C2 | H21 | H22 | 119.3° | 120.0° |
| O1 | C2 | C1 | OXT | 25.0° | 65.0° |
| O1 | C2 | C1 | H11 | 94.4° | 175.0° |
| O1 | C2 | C1 | H12 | 145.1° | 55.0° |
| C1 | C2 | H21 | H22 | 119.4° | 120.0° |
| C2 | C1 | OXT | H11 | 119.5° | 120.0° |
| C2 | C1 | OXT | H12 | 120.0° | 120.1° |
| C2 | C1 | H11 | H12 | 119.7° | 120.1° |
| C2 | C1 | OXT | HOXT | 29.8° | 180.0° |
| H21 | C2 | C1 | OXT | 144.1° | 55.0° |
| H21 | C2 | C1 | H11 | 24.6° | 65.0° |
| H21 | C2 | C1 | H12 | 95.9° | 175.0° |
| H22 | C2 | C1 | OXT | 94.9° | 175.0° |
| H22 | C2 | C1 | H11 | 145.6° | 55.0° |
| H22 | C2 | C1 | H12 | 25.1° | 65.0° |
| OXT | C1 | H11 | H12 | 119.7° | 119.9° |
| H11 | C1 | OXT | HOXT | 89.6° | 59.9° |
| H12 | C1 | OXT | HOXT | 149.9° | 60.0° |
