OSG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C03 | doub | 1.36Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.41Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| C05 | C10 | doub | 1.42Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.36Å | |
| C02 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C07 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N01 | sing | 1.34Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.40Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C21 | sing | 1.48Å | 1.49Å | |
| N28 | C27 | sing | 1.47Å | 1.48Å | |
| C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O29 | sing | 1.36Å | 1.37Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C22 | H1 | sing | 1.08Å | 1.08Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C06 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C32 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| N02 | H20 | sing | 0.97Å | 1.00Å | |
| N02 | H21 | sing | 0.97Å | 1.00Å | |
| N28 | H22 | sing | 1.01Å | 1.00Å | |
| N28 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C04 | C03 | 121.3° | 120.8° |
| C11 | C04 | C05 | 119.2° | 120.9° |
| C04 | C11 | H8 | 109.5° | 109.5° |
| C04 | C11 | H9 | 109.5° | 109.4° |
| C04 | C11 | H10 | 109.5° | 109.4° |
| C03 | C04 | C05 | 119.5° | 118.3° |
| C04 | C03 | C02 | 119.6° | 119.9° |
| C04 | C03 | H4 | 120.2° | 120.1° |
| C04 | C05 | C06 | 120.1° | 121.0° |
| C04 | C05 | C10 | 119.6° | 119.1° |
| C03 | C02 | N02 | 119.9° | 119.2° |
| C03 | C02 | N01 | 119.7° | 121.5° |
| C02 | C03 | H4 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.9° | 120.0° |
| C06 | C05 | C10 | 120.3° | 119.9° |
| C05 | C06 | H5 | 119.5° | 120.0° |
| C06 | C07 | C08 | 119.4° | 120.7° |
| C07 | C06 | H5 | 119.5° | 120.0° |
| C06 | C07 | H6 | 120.3° | 119.6° |
| C05 | C10 | N01 | 119.8° | 120.0° |
| C05 | C10 | C09 | 118.8° | 119.2° |
| N02 | C02 | N01 | 120.4° | 119.3° |
| C02 | N02 | H20 | 109.5° | 120.0° |
| C02 | N02 | H21 | 109.5° | 120.0° |
| C02 | N01 | C10 | 121.7° | 121.2° |
| C07 | C08 | C09 | 119.9° | 120.6° |
| C07 | C08 | C21 | 119.8° | 119.7° |
| C08 | C07 | H6 | 120.3° | 119.7° |
| N01 | C10 | C09 | 121.4° | 120.8° |
| C10 | C09 | C08 | 120.7° | 119.5° |
| C10 | C09 | H7 | 119.7° | 120.3° |
| C09 | C08 | C21 | 120.1° | 119.7° |
| C08 | C09 | H7 | 119.7° | 120.2° |
| C08 | C21 | C26 | 119.9° | 120.1° |
| C08 | C21 | C22 | 120.6° | 120.1° |
| N28 | C27 | C25 | 109.2° | 109.5° |
| N28 | C27 | H11 | 109.6° | 109.5° |
| N28 | C27 | H12 | 109.5° | 109.5° |
| C27 | N28 | H22 | 109.5° | 111.0° |
| C27 | N28 | H23 | 109.5° | 111.0° |
| C21 | C26 | C25 | 120.3° | 119.9° |
| C26 | C21 | C22 | 119.0° | 119.8° |
| C21 | C26 | H3 | 119.8° | 120.0° |
| C26 | C25 | C27 | 120.2° | 119.9° |
| C26 | C25 | C24 | 120.3° | 120.1° |
| C25 | C26 | H3 | 119.8° | 120.1° |
| C27 | C25 | C24 | 119.5° | 120.0° |
| C25 | C27 | H11 | 109.6° | 109.4° |
| C25 | C27 | H12 | 109.6° | 109.4° |
| C21 | C22 | C23 | 120.8° | 119.9° |
| C21 | C22 | H1 | 119.6° | 120.0° |
| C25 | C24 | C23 | 119.5° | 120.1° |
| C25 | C24 | O29 | 119.9° | 119.9° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C23 | C22 | H1 | 119.6° | 120.0° |
| C22 | C23 | H2 | 120.0° | 120.0° |
| C23 | C24 | O29 | 120.6° | 119.9° |
| C24 | C23 | H2 | 120.1° | 120.0° |
| C24 | O29 | C30 | 121.4° | 117.0° |
| O29 | C30 | C31 | 109.9° | 109.5° |
| O29 | C30 | H13 | 109.4° | 109.5° |
| O29 | C30 | H14 | 109.4° | 109.4° |
| C32 | C31 | C30 | 112.6° | 109.5° |
| C32 | C31 | H15 | 108.7° | 109.5° |
| C32 | C31 | H16 | 108.7° | 109.5° |
| C31 | C32 | H17 | 109.5° | 109.5° |
| C31 | C32 | H18 | 109.4° | 109.5° |
| C31 | C32 | H19 | 109.5° | 109.5° |
| C31 | C30 | H13 | 109.4° | 109.5° |
| C31 | C30 | H14 | 109.4° | 109.5° |
| C30 | C31 | H15 | 108.7° | 109.5° |
| C30 | C31 | H16 | 108.7° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.5° |
| H11 | C27 | H12 | 109.4° | 109.5° |
| H13 | C30 | H14 | 109.4° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C32 | H18 | 109.5° | 109.5° |
| H17 | C32 | H19 | 109.4° | 109.4° |
| H18 | C32 | H19 | 109.5° | 109.5° |
| H20 | N02 | H21 | 109.4° | 120.0° |
| H22 | N28 | H23 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C04 | C03 | C05 | 179.7° | 179.3° |
| C11 | C04 | C03 | C02 | 179.5° | 180.0° |
| C11 | C04 | C05 | C06 | 0.8° | 0.3° |
| C11 | C04 | C05 | C10 | 179.0° | 179.8° |
| C11 | C04 | C03 | H4 | 0.5° | 0.5° |
| C04 | C11 | H8 | H9 | 120.0° | 120.0° |
| C04 | C11 | H8 | H10 | 120.0° | 120.0° |
| C04 | C11 | H9 | H10 | 120.0° | 120.0° |
| C04 | C03 | C02 | H4 | 180.0° | 179.6° |
| C03 | C04 | C05 | C06 | 179.5° | 179.6° |
| C03 | C04 | C05 | C10 | 0.6° | 0.4° |
| C04 | C03 | C02 | N02 | 179.4° | 179.5° |
| C04 | C03 | C02 | N01 | 0.4° | 0.4° |
| C03 | C04 | C11 | H8 | 89.8° | 90.0° |
| C03 | C04 | C11 | H9 | 150.2° | 150.0° |
| C03 | C04 | C11 | H10 | 30.2° | 30.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.6° |
| C04 | C05 | C06 | C10 | 179.9° | 180.0° |
| C04 | C05 | C06 | C07 | 179.6° | 180.0° |
| C04 | C05 | C10 | N01 | 0.6° | 0.0° |
| C04 | C05 | C10 | C09 | 179.5° | 179.7° |
| C05 | C04 | C03 | H4 | 179.8° | 179.8° |
| C04 | C05 | C06 | H5 | 0.4° | 0.0° |
| C05 | C04 | C11 | H8 | 89.9° | 90.7° |
| C05 | C04 | C11 | H9 | 30.2° | 29.4° |
| C05 | C04 | C11 | H10 | 150.1° | 149.4° |
| C03 | C02 | N02 | N01 | 179.0° | 179.9° |
| C03 | C02 | N01 | C10 | 0.4° | 0.1° |
| C03 | C02 | N02 | H20 | 178.9° | 179.9° |
| C03 | C02 | N02 | H21 | 59.0° | 0.1° |
| C05 | C06 | C07 | H5 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.6° | 0.1° |
| C06 | C05 | C10 | N01 | 179.5° | 180.0° |
| C06 | C05 | C10 | C09 | 0.4° | 0.2° |
| C05 | C06 | C07 | H6 | 179.4° | 180.0° |
| C07 | C06 | C05 | C10 | 0.3° | 0.0° |
| C06 | C07 | C08 | H6 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.1° | 0.4° |
| C06 | C07 | C08 | C21 | 176.7° | 179.9° |
| C05 | C10 | N01 | C02 | 0.1° | 0.3° |
| C05 | C10 | N01 | C09 | 179.9° | 179.7° |
| C05 | C10 | C09 | C08 | 0.8° | 0.5° |
| C10 | C05 | C06 | H5 | 179.7° | 180.0° |
| C05 | C10 | C09 | H7 | 179.2° | 179.8° |
| N02 | C02 | N01 | C10 | 179.4° | 180.0° |
| N02 | C02 | C03 | H4 | 0.7° | 0.1° |
| C02 | N02 | H20 | H21 | 120.0° | 180.0° |
| C02 | N01 | C10 | C09 | 180.0° | 180.0° |
| N01 | C02 | C03 | H4 | 179.6° | 180.0° |
| N01 | C02 | N02 | H20 | 0.0° | 0.1° |
| N01 | C02 | N02 | H21 | 120.0° | 180.0° |
| C07 | C08 | C09 | C10 | 1.2° | 0.6° |
| C07 | C08 | C09 | C21 | 175.6° | 179.7° |
| C07 | C08 | C21 | C26 | 15.4° | 0.0° |
| C07 | C08 | C21 | C22 | 172.5° | 179.5° |
| C08 | C07 | C06 | H5 | 179.4° | 179.9° |
| C07 | C08 | C09 | H7 | 178.8° | 179.7° |
| N01 | C10 | C09 | C08 | 179.0° | 179.7° |
| N01 | C10 | C09 | H7 | 0.9° | 0.0° |
| C10 | C09 | C08 | H7 | 180.0° | 179.7° |
| C10 | C09 | C08 | C21 | 176.8° | 179.7° |
| C09 | C08 | C21 | C26 | 160.3° | 179.7° |
| C09 | C08 | C21 | C22 | 11.9° | 0.8° |
| C09 | C08 | C07 | H6 | 178.9° | 179.7° |
| C08 | C21 | C26 | C22 | 172.3° | 179.5° |
| C08 | C21 | C26 | C25 | 176.8° | 180.0° |
| C08 | C21 | C22 | C23 | 177.3° | 179.4° |
| C08 | C21 | C22 | H1 | 2.7° | 0.3° |
| C08 | C21 | C26 | H3 | 3.2° | 0.1° |
| C21 | C08 | C07 | H6 | 3.3° | 0.0° |
| C21 | C08 | C09 | H7 | 3.2° | 0.0° |
| N28 | C27 | C25 | C26 | 101.0° | 100.0° |
| N28 | C27 | C25 | H11 | 120.0° | 120.0° |
| N28 | C27 | C25 | H12 | 119.9° | 120.0° |
| N28 | C27 | C25 | C24 | 78.6° | 79.1° |
| N28 | C27 | H11 | H12 | 120.1° | 120.0° |
| C27 | N28 | H22 | H23 | 120.0° | 124.0° |
| C21 | C26 | C25 | H3 | 180.0° | 179.9° |
| C21 | C26 | C25 | C27 | 178.3° | 179.9° |
| C21 | C26 | C25 | C24 | 2.1° | 0.8° |
| C26 | C21 | C22 | C23 | 5.1° | 0.1° |
| C26 | C21 | C22 | H1 | 174.9° | 179.7° |
| C26 | C25 | C27 | C24 | 179.7° | 179.1° |
| C25 | C26 | C21 | C22 | 4.6° | 0.5° |
| C26 | C25 | C24 | C23 | 0.0° | 0.6° |
| C26 | C25 | C24 | O29 | 179.5° | 179.5° |
| C26 | C25 | C27 | H11 | 18.9° | 20.0° |
| C26 | C25 | C27 | H12 | 139.0° | 140.0° |
| C27 | C25 | C24 | C23 | 179.7° | 179.7° |
| C27 | C25 | C24 | O29 | 0.8° | 0.4° |
| C27 | C25 | C26 | H3 | 1.7° | 0.0° |
| C25 | C27 | H11 | H12 | 120.1° | 119.9° |
| C25 | C27 | N28 | H22 | 180.0° | 180.0° |
| C25 | C27 | N28 | H23 | 60.0° | 56.0° |
| C21 | C22 | C23 | H1 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 3.1° | 0.3° |
| C21 | C22 | C23 | H2 | 176.9° | 179.7° |
| C22 | C21 | C26 | H3 | 175.4° | 179.4° |
| C25 | C24 | C23 | C22 | 0.5° | 0.1° |
| C25 | C24 | C23 | O29 | 179.5° | 179.9° |
| C25 | C24 | O29 | C30 | 117.7° | 180.0° |
| C25 | C24 | C23 | H2 | 179.5° | 179.9° |
| C24 | C25 | C26 | H3 | 177.9° | 179.1° |
| C24 | C25 | C27 | H11 | 161.4° | 160.9° |
| C24 | C25 | C27 | H12 | 41.3° | 40.9° |
| C22 | C23 | C24 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | O29 | 180.0° | 180.0° |
| C23 | C24 | O29 | C30 | 62.9° | 0.1° |
| C24 | C23 | C22 | H1 | 176.9° | 179.9° |
| C24 | O29 | C30 | C31 | 173.4° | 180.0° |
| O29 | C24 | C23 | H2 | 0.0° | 0.0° |
| C24 | O29 | C30 | H13 | 53.3° | 59.9° |
| C24 | O29 | C30 | H14 | 66.5° | 60.0° |
| O29 | C30 | C31 | C32 | 70.5° | 180.0° |
| O29 | C30 | C31 | H13 | 120.1° | 120.0° |
| O29 | C30 | C31 | H14 | 120.1° | 119.9° |
| O29 | C30 | H13 | H14 | 119.8° | 120.0° |
| O29 | C30 | C31 | H15 | 49.9° | 60.0° |
| O29 | C30 | C31 | H16 | 169.0° | 59.9° |
| C32 | C31 | C30 | H15 | 120.5° | 120.0° |
| C32 | C31 | C30 | H16 | 120.5° | 120.0° |
| C32 | C31 | C30 | H13 | 49.6° | 60.0° |
| C32 | C31 | C30 | H14 | 169.4° | 60.0° |
| C32 | C31 | H15 | H16 | 118.6° | 120.0° |
| C31 | C32 | H17 | H18 | 120.0° | 120.1° |
| C31 | C32 | H17 | H19 | 120.0° | 120.0° |
| C31 | C32 | H18 | H19 | 120.0° | 120.1° |
| C31 | C30 | H13 | H14 | 119.8° | 120.0° |
| C30 | C31 | H15 | H16 | 118.6° | 120.0° |
| C30 | C31 | C32 | H17 | 180.0° | 179.9° |
| C30 | C31 | C32 | H18 | 60.0° | 60.0° |
| C30 | C31 | C32 | H19 | 60.0° | 60.0° |
| H1 | C22 | C23 | H2 | 3.1° | 0.0° |
| H5 | C06 | C07 | H6 | 0.6° | 0.0° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C27 | N28 | H22 | 60.0° | 60.1° |
| H11 | C27 | N28 | H23 | 60.0° | 176.0° |
| H12 | C27 | N28 | H22 | 60.0° | 60.0° |
| H12 | C27 | N28 | H23 | 179.9° | 64.0° |
| H13 | C30 | C31 | H15 | 170.0° | 60.0° |
| H13 | C30 | C31 | H16 | 70.9° | 179.9° |
| H14 | C30 | C31 | H15 | 70.2° | 180.0° |
| H14 | C30 | C31 | H16 | 48.9° | 60.0° |
| H15 | C31 | C32 | H17 | 59.6° | 59.9° |
| H15 | C31 | C32 | H18 | 60.4° | 180.0° |
| H15 | C31 | C32 | H19 | 179.5° | 60.0° |
| H16 | C31 | C32 | H17 | 59.5° | 60.0° |
| H16 | C31 | C32 | H18 | 179.5° | 60.0° |
| H16 | C31 | C32 | H19 | 60.5° | 179.9° |
| H17 | C32 | H18 | H19 | 120.0° | 119.9° |
