R4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C03 | doub | 1.34Å | 1.53Å | |
| C04 | C06 | sing | 1.48Å | 1.66Å | |
| C03 | C02 | sing | 1.48Å | 1.40Å | |
| O10 | C08 | doub | 1.22Å | 1.26Å | |
| O09 | C08 | sing | 1.35Å | 1.26Å | |
| C08 | C07 | sing | 1.48Å | 1.52Å | |
| C06 | C07 | doub | 1.40Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C02 | C05 | sing | 1.49Å | 1.46Å | |
| C07 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C04 | C06 | 104.2° | 110.0° |
| C04 | C03 | C02 | 104.5° | 108.8° |
| C04 | C03 | H4 | 127.8° | 125.6° |
| C03 | C04 | H5 | 127.9° | 125.0° |
| C04 | C06 | C07 | 134.1° | 132.6° |
| C04 | C06 | C05 | 106.6° | 108.2° |
| C06 | C04 | H5 | 127.9° | 125.0° |
| C03 | C02 | O01 | 120.2° | 126.8° |
| C03 | C02 | C05 | 117.6° | 106.5° |
| C02 | C03 | H4 | 127.8° | 125.6° |
| O10 | C08 | O09 | 121.1° | 120.0° |
| O10 | C08 | C07 | 120.3° | 120.0° |
| O09 | C08 | C07 | 118.6° | 120.1° |
| C08 | O09 | H10 | 109.5° | 117.0° |
| C08 | C07 | C06 | 121.0° | 120.2° |
| C08 | C07 | C11 | 117.7° | 120.2° |
| C07 | C06 | C05 | 119.2° | 119.2° |
| C06 | C07 | C11 | 121.3° | 119.6° |
| C06 | C05 | C02 | 106.1° | 106.5° |
| C06 | C05 | C15 | 119.1° | 120.2° |
| O01 | C02 | C05 | 122.2° | 126.7° |
| C02 | C05 | C15 | 134.7° | 133.3° |
| C07 | C11 | C12 | 119.7° | 120.4° |
| C07 | C11 | H6 | 120.1° | 119.8° |
| C05 | C15 | C12 | 120.9° | 120.1° |
| C05 | C15 | H3 | 119.6° | 119.9° |
| C11 | C12 | C15 | 119.7° | 120.6° |
| C11 | C12 | C13 | 119.1° | 119.7° |
| C12 | C11 | H6 | 120.1° | 119.8° |
| C15 | C12 | C13 | 121.2° | 119.7° |
| C12 | C15 | H3 | 119.5° | 120.0° |
| C12 | C13 | C14 | 109.7° | 109.5° |
| C12 | C13 | H1 | 109.4° | 109.4° |
| C12 | C13 | H2 | 109.4° | 109.5° |
| C14 | C13 | H1 | 109.4° | 109.4° |
| C14 | C13 | H2 | 109.4° | 109.5° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C13 | C14 | H8 | 109.5° | 109.5° |
| C13 | C14 | H9 | 109.5° | 109.5° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H9 | 109.5° | 109.4° |
| H8 | C14 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C04 | C06 | H5 | 180.0° | 179.9° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C03 | C04 | C06 | C07 | 172.6° | 180.0° |
| C03 | C04 | C06 | C05 | 6.4° | 0.0° |
| C04 | C03 | C02 | O01 | 172.4° | 180.0° |
| C04 | C03 | C02 | C05 | 10.5° | 0.0° |
| C06 | C04 | C03 | C02 | 9.5° | 0.0° |
| C04 | C06 | C07 | C08 | 1.1° | 0.0° |
| C04 | C06 | C07 | C05 | 178.9° | 180.0° |
| C04 | C06 | C05 | C02 | 0.7° | 0.0° |
| C04 | C06 | C07 | C11 | 179.8° | 179.9° |
| C04 | C06 | C05 | C15 | 178.8° | 180.0° |
| C06 | C04 | C03 | H4 | 170.4° | 180.0° |
| C03 | C02 | C05 | C06 | 6.3° | 0.0° |
| C03 | C02 | O01 | C05 | 176.9° | 180.0° |
| C03 | C02 | C05 | C15 | 171.3° | 180.0° |
| C02 | C03 | C04 | H5 | 170.5° | 179.9° |
| O10 | C08 | O09 | C07 | 178.8° | 179.9° |
| O10 | C08 | C07 | C06 | 14.8° | 0.0° |
| O10 | C08 | C07 | C11 | 166.1° | 179.9° |
| O10 | C08 | O09 | H10 | 0.0° | 0.1° |
| O09 | C08 | C07 | C06 | 166.4° | 179.9° |
| O09 | C08 | C07 | C11 | 12.7° | 0.0° |
| C08 | C07 | C06 | C11 | 179.1° | 179.9° |
| C08 | C07 | C06 | C05 | 180.0° | 180.0° |
| C08 | C07 | C11 | C12 | 179.5° | 180.0° |
| C08 | C07 | C11 | H6 | 0.5° | 0.1° |
| C07 | C08 | O09 | H10 | 178.8° | 180.0° |
| C07 | C06 | C05 | C02 | 178.5° | 180.0° |
| C07 | C06 | C05 | C15 | 0.4° | 0.0° |
| C06 | C07 | C11 | C12 | 1.4° | 0.1° |
| C07 | C06 | C04 | H5 | 7.4° | 0.1° |
| C06 | C07 | C11 | H6 | 178.6° | 180.0° |
| C06 | C05 | C02 | O01 | 176.7° | 180.0° |
| C06 | C05 | C02 | C15 | 177.6° | 179.9° |
| C05 | C06 | C07 | C11 | 0.9° | 0.0° |
| C06 | C05 | C15 | C12 | 1.3° | 0.1° |
| C06 | C05 | C15 | H3 | 178.7° | 179.8° |
| C05 | C06 | C04 | H5 | 173.6° | 180.0° |
| O01 | C02 | C05 | C15 | 5.7° | 0.0° |
| O01 | C02 | C03 | H4 | 7.6° | 0.0° |
| C02 | C05 | C15 | C12 | 178.7° | 180.0° |
| C02 | C05 | C15 | H3 | 1.3° | 0.3° |
| C05 | C02 | C03 | H4 | 169.5° | 180.0° |
| C07 | C11 | C12 | H6 | 180.0° | 179.9° |
| C07 | C11 | C12 | C15 | 0.5° | 0.0° |
| C07 | C11 | C12 | C13 | 178.6° | 179.8° |
| C05 | C15 | C12 | C11 | 0.8° | 0.0° |
| C05 | C15 | C12 | H3 | 180.0° | 179.7° |
| C05 | C15 | C12 | C13 | 179.9° | 179.7° |
| C11 | C12 | C15 | C13 | 179.1° | 179.8° |
| C11 | C12 | C13 | C14 | 82.2° | 90.2° |
| C11 | C12 | C13 | H1 | 37.8° | 29.7° |
| C11 | C12 | C13 | H2 | 157.7° | 149.7° |
| C11 | C12 | C15 | H3 | 179.2° | 179.7° |
| C15 | C12 | C13 | C14 | 96.9° | 90.0° |
| C15 | C12 | C13 | H1 | 143.1° | 150.0° |
| C15 | C12 | C13 | H2 | 23.2° | 30.0° |
| C15 | C12 | C11 | H6 | 179.5° | 179.9° |
| C12 | C13 | C14 | H1 | 120.0° | 120.0° |
| C12 | C13 | C14 | H2 | 120.0° | 120.0° |
| C12 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C12 | C15 | H3 | 0.1° | 0.0° |
| C13 | C12 | C11 | H6 | 1.4° | 0.3° |
| C12 | C13 | C14 | H7 | 180.0° | 60.0° |
| C12 | C13 | C14 | H8 | 60.0° | 60.0° |
| C12 | C13 | C14 | H9 | 60.0° | 180.0° |
| C14 | C13 | H1 | H2 | 119.9° | 120.0° |
| C13 | C14 | H7 | H8 | 120.0° | 120.0° |
| C13 | C14 | H7 | H9 | 120.0° | 120.0° |
| C13 | C14 | H8 | H9 | 120.0° | 120.0° |
| H1 | C13 | C14 | H7 | 60.0° | 180.0° |
| H1 | C13 | C14 | H8 | 180.0° | 60.0° |
| H1 | C13 | C14 | H9 | 60.1° | 60.1° |
| H2 | C13 | C14 | H7 | 60.0° | 60.0° |
| H2 | C13 | C14 | H8 | 60.0° | 180.0° |
| H2 | C13 | C14 | H9 | 180.0° | 60.0° |
| H4 | C03 | C04 | H5 | 9.5° | 0.0° |
| H7 | C14 | H8 | H9 | 119.9° | 119.9° |
