6C7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | P1 | doub | 1.48Å | 1.54Å | |
| O4 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O6 | sing | 1.61Å | 1.56Å | |
| P1 | O2 | sing | 1.61Å | 1.62Å | |
| O7 | P3 | doub | 1.48Å | 1.54Å | |
| O2 | P3 | sing | 1.61Å | 1.61Å | |
| P3 | O8 | sing | 1.61Å | 1.46Å | |
| P3 | S9 | sing | 2.12Å | 2.05Å | |
| S9 | C10 | sing | 1.81Å | 1.83Å | |
| C14 | C12 | sing | 1.51Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C12 | doub | 1.31Å | 1.31Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| O4 | H1 | sing | 0.97Å | 0.95Å | |
| O6 | H2 | sing | 0.97Å | 0.95Å | |
| O8 | H3 | sing | 0.97Å | 0.95Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | P1 | O4 | 116.3° | 109.5° |
| O5 | P1 | O6 | 112.8° | 109.4° |
| O5 | P1 | O2 | 103.3° | 109.5° |
| O4 | P1 | O6 | 111.5° | 109.5° |
| O4 | P1 | O2 | 108.9° | 109.5° |
| P1 | O4 | H1 | 109.5° | 114.0° |
| O6 | P1 | O2 | 102.8° | 109.5° |
| P1 | O6 | H2 | 109.5° | 114.0° |
| P1 | O2 | P3 | 129.6° | 134.0° |
| O7 | P3 | O2 | 109.7° | 109.4° |
| O7 | P3 | O8 | 115.7° | 109.5° |
| O7 | P3 | S9 | 112.4° | 109.5° |
| O2 | P3 | O8 | 109.5° | 109.5° |
| O2 | P3 | S9 | 100.0° | 109.5° |
| O8 | P3 | S9 | 108.4° | 109.5° |
| P3 | O8 | H3 | 109.5° | 114.0° |
| P3 | S9 | C10 | 100.2° | 103.0° |
| S9 | C10 | C11 | 108.8° | 109.5° |
| S9 | C10 | H102 | 109.6° | 109.5° |
| S9 | C10 | H101 | 109.7° | 109.4° |
| C14 | C12 | C11 | 121.8° | 120.0° |
| C14 | C12 | C13 | 116.1° | 120.0° |
| C12 | C14 | H143 | 109.5° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.5° | 109.5° |
| C10 | C11 | C12 | 127.1° | 120.0° |
| C11 | C10 | H102 | 109.7° | 109.5° |
| C11 | C10 | H101 | 109.6° | 109.4° |
| C10 | C11 | H111 | 116.5° | 120.0° |
| C11 | C12 | C13 | 121.9° | 120.0° |
| C12 | C11 | H111 | 116.4° | 120.0° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H133 | C13 | H132 | 109.4° | 109.5° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | P1 | O4 | O6 | 131.2° | 119.9° |
| O5 | P1 | O4 | O2 | 116.1° | 120.0° |
| O5 | P1 | O6 | O2 | 110.5° | 120.0° |
| O5 | P1 | O2 | P3 | 56.1° | 45.0° |
| O5 | P1 | O4 | H1 | 0.0° | 180.0° |
| O5 | P1 | O6 | H2 | 0.0° | 60.0° |
| O4 | P1 | O6 | O2 | 116.5° | 120.0° |
| O4 | P1 | O2 | P3 | 68.0° | 75.0° |
| O4 | P1 | O6 | H2 | 133.0° | 60.0° |
| O6 | P1 | O2 | P3 | 173.6° | 165.0° |
| O6 | P1 | O4 | H1 | 131.2° | 60.0° |
| P1 | O2 | P3 | O7 | 70.9° | 60.0° |
| P1 | O2 | P3 | O8 | 57.0° | 60.0° |
| P1 | O2 | P3 | S9 | 170.7° | 180.0° |
| O2 | P1 | O4 | H1 | 116.1° | 60.0° |
| O2 | P1 | O6 | H2 | 110.5° | 180.0° |
| O7 | P3 | O2 | O8 | 128.0° | 120.0° |
| O7 | P3 | O2 | S9 | 118.3° | 120.0° |
| O7 | P3 | O8 | S9 | 127.3° | 120.0° |
| O7 | P3 | S9 | C10 | 79.0° | 60.0° |
| O7 | P3 | O8 | H3 | 0.0° | 180.0° |
| O2 | P3 | O8 | S9 | 108.1° | 120.0° |
| O2 | P3 | S9 | C10 | 164.7° | 180.0° |
| O2 | P3 | O8 | H3 | 124.5° | 60.0° |
| O8 | P3 | S9 | C10 | 50.1° | 60.0° |
| P3 | S9 | C10 | C11 | 124.2° | 75.0° |
| S9 | P3 | O8 | H3 | 127.3° | 60.0° |
| P3 | S9 | C10 | H102 | 115.8° | 165.0° |
| P3 | S9 | C10 | H101 | 4.4° | 45.0° |
| S9 | C10 | C11 | H102 | 119.9° | 120.0° |
| S9 | C10 | C11 | H101 | 119.9° | 120.0° |
| S9 | C10 | C11 | C12 | 145.8° | 116.8° |
| S9 | C10 | H102 | H101 | 120.3° | 120.0° |
| S9 | C10 | C11 | H111 | 34.2° | 63.2° |
| C14 | C12 | C11 | C10 | 5.6° | 172.3° |
| C14 | C12 | C11 | C13 | 174.6° | 180.0° |
| C14 | C12 | C11 | H111 | 174.4° | 7.7° |
| C14 | C12 | C13 | H131 | 180.0° | 174.2° |
| C14 | C12 | C13 | H133 | 60.0° | 54.3° |
| C14 | C12 | C13 | H132 | 60.0° | 65.7° |
| C12 | C14 | H143 | H141 | 120.0° | 120.0° |
| C12 | C14 | H143 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H142 | 120.0° | 120.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 7.7° |
| C11 | C10 | H102 | H101 | 120.3° | 120.0° |
| C12 | C11 | C10 | H102 | 94.3° | 3.2° |
| C12 | C11 | C10 | H101 | 25.9° | 123.3° |
| C11 | C12 | C13 | H131 | 5.1° | 5.8° |
| C11 | C12 | C13 | H133 | 125.2° | 125.7° |
| C11 | C12 | C13 | H132 | 114.9° | 114.3° |
| C11 | C12 | C14 | H143 | 180.0° | 90.0° |
| C11 | C12 | C14 | H141 | 60.0° | 150.0° |
| C11 | C12 | C14 | H142 | 60.0° | 29.9° |
| C13 | C12 | C11 | H111 | 0.2° | 172.3° |
| C12 | C13 | H131 | H133 | 120.0° | 119.9° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H133 | H132 | 120.0° | 120.0° |
| C13 | C12 | C14 | H143 | 5.1° | 90.0° |
| C13 | C12 | C14 | H141 | 125.1° | 30.0° |
| C13 | C12 | C14 | H142 | 114.9° | 150.1° |
| H102 | C10 | C11 | H111 | 85.7° | 176.8° |
| H101 | C10 | C11 | H111 | 154.1° | 56.7° |
| H131 | C13 | H133 | H132 | 120.0° | 120.0° |
| H143 | C14 | H141 | H142 | 120.0° | 119.9° |
