EHV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C09 | doub | 1.21Å | 1.54Å | |
| BR07 | C06 | sing | 1.89Å | 1.84Å | |
| O13 | C12 | sing | 1.43Å | 1.45Å | |
| C06 | C05 | doub | 1.38Å | 1.45Å | Aromatic |
| C06 | C08 | sing | 1.40Å | 1.48Å | Aromatic |
| C09 | C08 | sing | 1.47Å | 1.53Å | |
| C09 | C11 | sing | 1.51Å | 1.08Å | |
| C05 | C04 | sing | 1.38Å | 1.51Å | Aromatic |
| C08 | C02 | doub | 1.40Å | 1.44Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.60Å | |
| C12 | C14 | sing | 1.51Å | 1.40Å | |
| C04 | C03 | doub | 1.38Å | 1.42Å | Aromatic |
| O15 | C14 | doub | 1.21Å | 1.31Å | |
| C02 | C03 | sing | 1.38Å | 1.53Å | Aromatic |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C14 | O16 | sing | 1.34Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| O13 | H12 | sing | 0.97Å | 0.95Å | |
| O16 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 116.6° | 120.0° |
| O10 | C09 | C11 | 124.2° | 120.0° |
| BR07 | C06 | C05 | 116.5° | 120.1° |
| BR07 | C06 | C08 | 120.2° | 120.1° |
| O13 | C12 | C11 | 118.3° | 109.5° |
| O13 | C12 | C14 | 115.6° | 109.4° |
| O13 | C12 | H10 | 97.7° | 109.4° |
| C12 | O13 | H12 | 109.5° | 114.0° |
| C05 | C06 | C08 | 123.3° | 119.8° |
| C06 | C05 | C04 | 118.0° | 120.2° |
| C06 | C05 | H6 | 121.0° | 119.9° |
| C06 | C08 | C09 | 121.2° | 120.2° |
| C06 | C08 | C02 | 118.1° | 119.7° |
| C08 | C09 | C11 | 119.2° | 120.0° |
| C09 | C08 | C02 | 120.7° | 120.2° |
| C09 | C11 | C12 | 120.6° | 109.5° |
| C09 | C11 | H8 | 106.6° | 109.5° |
| C09 | C11 | H9 | 106.6° | 109.4° |
| C05 | C04 | C03 | 120.1° | 120.4° |
| C05 | C04 | H5 | 119.9° | 119.8° |
| C04 | C05 | H6 | 121.0° | 119.9° |
| C08 | C02 | C03 | 119.9° | 119.8° |
| C08 | C02 | C01 | 122.0° | 120.1° |
| C11 | C12 | C14 | 121.0° | 109.5° |
| C12 | C11 | H8 | 106.6° | 109.5° |
| C12 | C11 | H9 | 106.6° | 109.4° |
| C11 | C12 | H10 | 96.9° | 109.5° |
| C12 | C14 | O15 | 115.5° | 120.0° |
| C12 | C14 | O16 | 115.1° | 119.9° |
| C14 | C12 | H10 | 98.0° | 109.5° |
| C04 | C03 | C02 | 120.6° | 120.2° |
| C04 | C03 | H4 | 119.7° | 119.9° |
| C03 | C04 | H5 | 120.0° | 119.8° |
| O15 | C14 | O16 | 129.4° | 120.0° |
| C03 | C02 | C01 | 118.2° | 120.1° |
| C02 | C03 | H4 | 119.7° | 119.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C14 | O16 | H13 | 109.5° | 117.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | C06 | 74.3° | 84.8° |
| O10 | C09 | C08 | C11 | 179.1° | 179.9° |
| O10 | C09 | C08 | C02 | 103.6° | 95.7° |
| O10 | C09 | C11 | C12 | 23.6° | 5.5° |
| O10 | C09 | C11 | H8 | 98.0° | 114.6° |
| O10 | C09 | C11 | H9 | 145.2° | 125.4° |
| BR07 | C06 | C05 | C08 | 178.3° | 179.8° |
| BR07 | C06 | C08 | C09 | 2.6° | 0.2° |
| BR07 | C06 | C05 | C04 | 179.2° | 180.0° |
| BR07 | C06 | C08 | C02 | 179.4° | 179.7° |
| BR07 | C06 | C05 | H6 | 0.8° | 0.0° |
| O13 | C12 | C11 | C09 | 50.0° | 65.0° |
| O13 | C12 | C11 | C14 | 153.7° | 120.0° |
| O13 | C12 | C11 | H10 | 102.6° | 120.0° |
| O13 | C12 | C14 | H10 | 102.5° | 119.9° |
| O13 | C12 | C14 | O15 | 6.8° | 5.0° |
| O13 | C12 | C14 | O16 | 173.5° | 175.0° |
| O13 | C12 | C11 | H8 | 71.6° | 175.0° |
| O13 | C12 | C11 | H9 | 171.5° | 55.0° |
| C05 | C06 | C08 | C09 | 179.2° | 180.0° |
| C06 | C05 | C04 | H6 | 180.0° | 180.0° |
| C05 | C06 | C08 | C02 | 1.2° | 0.4° |
| C06 | C05 | C04 | C03 | 0.2° | 0.0° |
| C06 | C05 | C04 | H5 | 179.8° | 180.0° |
| C06 | C08 | C09 | C02 | 178.0° | 179.5° |
| C06 | C08 | C09 | C11 | 104.8° | 95.3° |
| C08 | C06 | C05 | C04 | 1.0° | 0.2° |
| C06 | C08 | C02 | C03 | 0.4° | 0.5° |
| C06 | C08 | C02 | C01 | 179.2° | 179.8° |
| C08 | C06 | C05 | H6 | 179.0° | 179.8° |
| C08 | C09 | C11 | C12 | 157.3° | 174.6° |
| C09 | C08 | C02 | C03 | 178.4° | 180.0° |
| C09 | C08 | C02 | C01 | 1.2° | 0.3° |
| C08 | C09 | C11 | H8 | 81.1° | 65.3° |
| C08 | C09 | C11 | H9 | 35.8° | 54.6° |
| C11 | C09 | C08 | C02 | 77.3° | 84.3° |
| C09 | C11 | C12 | H8 | 121.6° | 120.1° |
| C09 | C11 | C12 | H9 | 121.5° | 120.0° |
| C09 | C11 | C12 | C14 | 103.7° | 175.1° |
| C09 | C11 | H8 | H9 | 114.9° | 120.0° |
| C09 | C11 | C12 | H10 | 152.6° | 55.0° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 1.0° | 0.1° |
| C05 | C04 | C03 | H4 | 179.0° | 180.0° |
| C08 | C02 | C03 | C04 | 0.7° | 0.3° |
| C08 | C02 | C03 | C01 | 179.6° | 179.7° |
| C08 | C02 | C01 | H1 | 90.2° | 84.4° |
| C08 | C02 | C01 | H2 | 149.8° | 35.6° |
| C08 | C02 | C01 | H3 | 29.8° | 155.6° |
| C08 | C02 | C03 | H4 | 179.3° | 179.7° |
| C11 | C12 | C14 | H10 | 103.1° | 120.0° |
| C11 | C12 | C14 | O15 | 147.6° | 115.0° |
| C11 | C12 | C14 | O16 | 32.1° | 64.9° |
| C12 | C11 | H8 | H9 | 115.0° | 120.0° |
| C11 | C12 | O13 | H12 | 151.6° | 60.0° |
| C12 | C14 | O15 | O16 | 179.6° | 179.9° |
| C14 | C12 | C11 | H8 | 134.7° | 55.0° |
| C14 | C12 | C11 | H9 | 17.8° | 65.0° |
| C14 | C12 | O13 | H12 | 3.5° | 60.0° |
| C12 | C14 | O16 | H13 | 179.6° | 180.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 179.7° | 180.0° |
| C03 | C04 | C05 | H6 | 179.8° | 180.0° |
| O15 | C14 | C12 | H10 | 109.3° | 125.0° |
| O15 | C14 | O16 | H13 | 0.0° | 0.1° |
| C03 | C02 | C01 | H1 | 90.2° | 95.9° |
| C03 | C02 | C01 | H2 | 29.8° | 144.1° |
| C03 | C02 | C01 | H3 | 149.8° | 24.1° |
| C02 | C03 | C04 | H5 | 179.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 0.4° | 0.0° |
| O16 | C14 | C12 | H10 | 71.0° | 55.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 1.0° | 0.0° |
| H5 | C04 | C05 | H6 | 0.2° | 0.0° |
| H8 | C11 | C12 | H10 | 31.0° | 65.1° |
| H9 | C11 | C12 | H10 | 85.9° | 175.0° |
| H10 | C12 | O13 | H12 | 106.2° | 180.0° |
