EPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P | doub | 1.48Å | 1.63Å | |
| P | O2 | sing | 1.61Å | 1.60Å | |
| P | O4 | sing | 1.61Å | 1.60Å | |
| P | O3 | sing | 1.61Å | 1.62Å | |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| O4 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| O3 | C4 | sing | 1.36Å | 1.37Å | |
| C4 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | O5 | sing | 1.36Å | 1.39Å | |
| O5 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P | O2 | 107.4° | 109.5° |
| O1 | P | O4 | 115.0° | 109.5° |
| O1 | P | O3 | 121.0° | 109.5° |
| O2 | P | O4 | 109.0° | 109.5° |
| O2 | P | O3 | 101.3° | 109.4° |
| P | O2 | C8 | 120.0° | 123.0° |
| O4 | P | O3 | 102.1° | 109.5° |
| P | O4 | C10 | 122.6° | 123.0° |
| P | O3 | C4 | 127.8° | 114.0° |
| O2 | C8 | C9 | 109.3° | 109.5° |
| O2 | C8 | H81 | 109.5° | 109.4° |
| O2 | C8 | H82 | 109.6° | 109.5° |
| C9 | C8 | H81 | 109.6° | 109.4° |
| C9 | C8 | H82 | 109.6° | 109.5° |
| C8 | C9 | H91 | 109.5° | 109.4° |
| C8 | C9 | H92 | 109.4° | 109.5° |
| C8 | C9 | H93 | 109.4° | 109.5° |
| H81 | C8 | H82 | 109.3° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.5° |
| O4 | C10 | C11 | 107.5° | 109.5° |
| O4 | C10 | H101 | 110.1° | 109.5° |
| O4 | C10 | H102 | 110.5° | 109.5° |
| C11 | C10 | H101 | 110.1° | 109.4° |
| C11 | C10 | H102 | 110.6° | 109.4° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.4° | 109.4° |
| H101 | C10 | H102 | 108.0° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.6° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| O3 | C4 | C6 | 121.0° | 120.0° |
| O3 | C4 | C2 | 118.5° | 120.0° |
| C6 | C4 | C2 | 120.5° | 120.0° |
| C4 | C6 | C5 | 119.5° | 120.0° |
| C4 | C6 | H6 | 120.3° | 120.0° |
| C4 | C2 | C3 | 120.3° | 120.0° |
| C4 | C2 | H2 | 119.9° | 119.9° |
| C3 | C2 | H2 | 119.8° | 120.1° |
| C2 | C3 | C1 | 119.5° | 120.0° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C1 | C3 | H3 | 120.3° | 120.0° |
| C3 | C1 | C5 | 119.8° | 120.0° |
| C3 | C1 | O5 | 121.1° | 120.0° |
| C5 | C1 | O5 | 119.1° | 120.0° |
| C1 | C5 | C6 | 120.4° | 120.0° |
| C1 | C5 | H5 | 119.8° | 120.0° |
| C1 | O5 | C7 | 124.5° | 117.0° |
| O5 | C7 | H71 | 109.5° | 109.4° |
| O5 | C7 | H72 | 109.4° | 109.5° |
| O5 | C7 | H73 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P | O2 | O4 | 125.1° | 120.0° |
| O1 | P | O2 | O3 | 127.8° | 120.0° |
| O1 | P | O4 | O3 | 132.9° | 120.0° |
| O1 | P | O2 | C8 | 156.5° | 180.0° |
| O1 | P | O4 | C10 | 37.3° | 54.9° |
| O1 | P | O3 | C4 | 47.4° | 55.0° |
| O2 | P | O4 | O3 | 106.5° | 120.0° |
| P | O2 | C8 | C9 | 94.4° | 179.9° |
| P | O2 | C8 | H81 | 145.6° | 60.0° |
| P | O2 | C8 | H82 | 25.7° | 60.0° |
| O2 | P | O4 | C10 | 83.3° | 65.1° |
| O2 | P | O3 | C4 | 165.8° | 65.0° |
| O4 | P | O2 | C8 | 31.4° | 60.0° |
| P | O4 | C10 | C11 | 161.9° | 180.0° |
| P | O4 | C10 | H101 | 41.9° | 60.1° |
| P | O4 | C10 | H102 | 77.3° | 60.0° |
| O4 | P | O3 | C4 | 81.8° | 175.0° |
| O3 | P | O2 | C8 | 75.7° | 60.0° |
| O3 | P | O4 | C10 | 170.2° | 175.0° |
| P | O3 | C4 | C6 | 76.9° | 90.0° |
| P | O3 | C4 | C2 | 106.1° | 89.7° |
| O2 | C8 | C9 | H81 | 120.0° | 119.9° |
| O2 | C8 | C9 | H82 | 120.1° | 120.0° |
| O2 | C8 | H81 | H82 | 120.1° | 120.0° |
| O2 | C8 | C9 | H91 | 49.3° | 60.0° |
| O2 | C8 | C9 | H92 | 169.3° | 60.0° |
| O2 | C8 | C9 | H93 | 70.7° | 180.0° |
| C9 | C8 | H81 | H82 | 120.1° | 120.0° |
| C8 | C9 | H91 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H93 | 120.0° | 120.0° |
| C8 | C9 | H92 | H93 | 120.0° | 120.0° |
| H81 | C8 | C9 | H91 | 70.7° | 180.0° |
| H81 | C8 | C9 | H92 | 49.3° | 60.0° |
| H81 | C8 | C9 | H93 | 169.3° | 60.1° |
| H82 | C8 | C9 | H91 | 169.4° | 60.0° |
| H82 | C8 | C9 | H92 | 70.6° | 180.0° |
| H82 | C8 | C9 | H93 | 49.4° | 60.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
| O4 | C10 | C11 | H101 | 120.0° | 120.0° |
| O4 | C10 | C11 | H102 | 120.7° | 120.0° |
| O4 | C10 | H101 | H102 | 120.8° | 120.1° |
| O4 | C10 | C11 | H111 | 4.6° | 179.9° |
| O4 | C10 | C11 | H112 | 124.6° | 60.0° |
| O4 | C10 | C11 | H113 | 115.3° | 59.9° |
| C11 | C10 | H101 | H102 | 120.8° | 119.9° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| H101 | C10 | C11 | H111 | 115.3° | 59.9° |
| H101 | C10 | C11 | H112 | 4.6° | 180.0° |
| H101 | C10 | C11 | H113 | 124.7° | 60.0° |
| H102 | C10 | C11 | H111 | 125.4° | 60.0° |
| H102 | C10 | C11 | H112 | 114.6° | 60.1° |
| H102 | C10 | C11 | H113 | 5.4° | 180.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| O3 | C4 | C6 | C2 | 176.9° | 179.6° |
| O3 | C4 | C2 | C3 | 176.8° | 180.0° |
| O3 | C4 | C2 | H2 | 3.2° | 0.1° |
| O3 | C4 | C6 | C5 | 177.4° | 179.8° |
| O3 | C4 | C6 | H6 | 2.6° | 0.1° |
| C6 | C4 | C2 | C3 | 0.2° | 0.3° |
| C6 | C4 | C2 | H2 | 179.8° | 179.7° |
| C4 | C6 | C5 | C1 | 0.0° | 0.5° |
| C4 | C6 | C5 | H6 | 180.0° | 179.7° |
| C4 | C6 | C5 | H5 | 180.0° | 179.7° |
| C4 | C2 | C3 | H2 | 180.0° | 179.9° |
| C4 | C2 | C3 | C1 | 1.3° | 0.0° |
| C4 | C2 | C3 | H3 | 178.7° | 179.9° |
| C2 | C4 | C6 | C5 | 0.5° | 0.6° |
| C2 | C4 | C6 | H6 | 179.5° | 179.7° |
| C2 | C3 | C1 | H3 | 180.0° | 179.9° |
| C2 | C3 | C1 | C5 | 1.7° | 0.1° |
| C2 | C3 | C1 | O5 | 178.5° | 180.0° |
| H2 | C2 | C3 | C1 | 178.7° | 180.0° |
| H2 | C2 | C3 | H3 | 1.2° | 0.0° |
| C3 | C1 | C5 | O5 | 179.8° | 179.9° |
| C3 | C1 | O5 | C7 | 1.1° | 180.0° |
| C3 | C1 | C5 | C6 | 1.1° | 0.1° |
| C3 | C1 | C5 | H5 | 178.9° | 179.9° |
| H3 | C3 | C1 | C5 | 178.3° | 180.0° |
| H3 | C3 | C1 | O5 | 1.5° | 0.1° |
| C5 | C1 | O5 | C7 | 179.1° | 0.1° |
| C1 | C5 | C6 | H5 | 180.0° | 179.8° |
| C1 | C5 | C6 | H6 | 180.0° | 179.8° |
| C1 | O5 | C7 | H71 | 63.8° | 60.1° |
| C1 | O5 | C7 | H72 | 56.2° | 60.0° |
| C1 | O5 | C7 | H73 | 176.2° | 180.0° |
| O5 | C1 | C5 | C6 | 179.1° | 179.7° |
| O5 | C1 | C5 | H5 | 0.9° | 0.1° |
| O5 | C7 | H71 | H72 | 120.0° | 120.1° |
| O5 | C7 | H71 | H73 | 120.0° | 119.9° |
| O5 | C7 | H72 | H73 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
