GOC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.48Å | 1.48Å | |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C05 | C08 | sing | 1.40Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.24Å | |
| C09 | C08 | sing | 1.48Å | 1.48Å | |
| C09 | O16 | doub | 1.21Å | 1.23Å | |
| C08 | C07 | doub | 1.40Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C03 | C02 | sing | 1.48Å | 1.45Å | |
| C03 | C06 | doub | 1.40Å | 1.41Å | Aromatic |
| C02 | N17 | sing | 1.35Å | 1.34Å | |
| C20 | S21 | sing | 1.83Å | 1.84Å | |
| C20 | C19 | sing | 1.52Å | 1.47Å | |
| S21 | C22 | sing | 1.83Å | 1.85Å | |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C23 | sing | 1.38Å | 1.44Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.52Å | 1.50Å | |
| N17 | C18 | sing | 1.39Å | 1.35Å | |
| C23 | N24 | doub | 1.32Å | 1.36Å | Aromatic |
| C18 | N25 | sing | 1.36Å | 1.37Å | Aromatic |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| N25 | N24 | sing | 1.40Å | 1.40Å | Aromatic |
| N25 | C26 | sing | 1.40Å | 1.48Å | |
| C29 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C06 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C33 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| N17 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C12 | 118.7° | 120.3° |
| C13 | C14 | C15 | 120.9° | 120.1° |
| C13 | C14 | H1 | 119.5° | 119.9° |
| C14 | C13 | H4 | 120.7° | 119.8° |
| C13 | C12 | C11 | 120.2° | 120.1° |
| C13 | C12 | H3 | 119.9° | 120.0° |
| C12 | C13 | H4 | 120.6° | 119.8° |
| C14 | C15 | C10 | 122.1° | 119.9° |
| C15 | C14 | H1 | 119.6° | 119.9° |
| C14 | C15 | H9 | 118.9° | 120.0° |
| C12 | C11 | C10 | 121.5° | 119.9° |
| C12 | C11 | H2 | 119.3° | 120.1° |
| C11 | C12 | H3 | 119.9° | 119.9° |
| C15 | C10 | C11 | 116.6° | 119.6° |
| C15 | C10 | C09 | 117.2° | 120.2° |
| C10 | C15 | H9 | 118.9° | 120.1° |
| C11 | C10 | C09 | 126.2° | 120.2° |
| C10 | C11 | H2 | 119.2° | 120.1° |
| C10 | C09 | C08 | 124.9° | 120.0° |
| C10 | C09 | O16 | 118.4° | 120.0° |
| C04 | C05 | C08 | 123.4° | 120.0° |
| C05 | C04 | C03 | 122.4° | 120.0° |
| C05 | C04 | H5 | 118.8° | 120.0° |
| C04 | C05 | H6 | 118.3° | 120.0° |
| C05 | C08 | C09 | 121.6° | 120.0° |
| C05 | C08 | C07 | 114.3° | 120.0° |
| C08 | C05 | H6 | 118.3° | 120.0° |
| C04 | C03 | C02 | 123.5° | 120.0° |
| C04 | C03 | C06 | 114.0° | 120.0° |
| C03 | C04 | H5 | 118.8° | 120.0° |
| O01 | C02 | C03 | 118.2° | 120.0° |
| O01 | C02 | N17 | 115.1° | 120.0° |
| C08 | C09 | O16 | 116.5° | 120.0° |
| C09 | C08 | C07 | 124.0° | 120.0° |
| C08 | C07 | C06 | 122.2° | 119.9° |
| C08 | C07 | H8 | 118.9° | 120.0° |
| C28 | C27 | C29 | 115.8° | 120.1° |
| C28 | C27 | C26 | 123.3° | 120.0° |
| C27 | C28 | H14 | 109.5° | 109.5° |
| C27 | C28 | H15 | 109.5° | 109.5° |
| C27 | C28 | H16 | 109.5° | 109.5° |
| C02 | C03 | C06 | 122.3° | 120.0° |
| C03 | C02 | N17 | 126.5° | 120.0° |
| C03 | C06 | C07 | 123.6° | 120.1° |
| C03 | C06 | H7 | 118.2° | 120.0° |
| C02 | N17 | C18 | 129.1° | 120.0° |
| C02 | N17 | H23 | 115.5° | 120.0° |
| S21 | C20 | C19 | 105.6° | 103.5° |
| C20 | S21 | C22 | 95.1° | 94.8° |
| S21 | C20 | H10 | 110.4° | 110.7° |
| S21 | C20 | H11 | 110.4° | 110.6° |
| C20 | C19 | C23 | 115.4° | 115.6° |
| C20 | C19 | C18 | 137.9° | 136.6° |
| C19 | C20 | H10 | 110.4° | 110.6° |
| C19 | C20 | H11 | 110.5° | 110.6° |
| S21 | C22 | C23 | 104.1° | 103.5° |
| S21 | C22 | H12 | 110.8° | 110.6° |
| S21 | C22 | H13 | 110.8° | 110.8° |
| C07 | C06 | H7 | 118.2° | 120.0° |
| C06 | C07 | H8 | 118.9° | 120.0° |
| C23 | C19 | C18 | 106.6° | 107.8° |
| C19 | C23 | C22 | 115.7° | 115.5° |
| C19 | C23 | N24 | 108.9° | 108.4° |
| C19 | C18 | N17 | 131.0° | 126.2° |
| C19 | C18 | N25 | 107.0° | 107.5° |
| C22 | C23 | N24 | 135.5° | 136.1° |
| C23 | C22 | H12 | 110.8° | 110.6° |
| C23 | C22 | H13 | 110.8° | 110.6° |
| N17 | C18 | N25 | 121.9° | 126.3° |
| C18 | N17 | H23 | 115.5° | 120.0° |
| C23 | N24 | N25 | 106.6° | 108.5° |
| C18 | N25 | N24 | 110.8° | 107.8° |
| C18 | N25 | C26 | 125.3° | 126.1° |
| C29 | C27 | C26 | 120.9° | 119.9° |
| C27 | C29 | C32 | 124.4° | 120.1° |
| C27 | C29 | H17 | 117.8° | 120.0° |
| C27 | C26 | N25 | 125.0° | 120.1° |
| C27 | C26 | C30 | 115.0° | 119.9° |
| N24 | N25 | C26 | 123.8° | 126.1° |
| N25 | C26 | C30 | 119.9° | 120.1° |
| C29 | C32 | C33 | 121.9° | 119.9° |
| C29 | C32 | C31 | 115.0° | 120.2° |
| C32 | C29 | H17 | 117.8° | 119.9° |
| C26 | C30 | C31 | 122.4° | 119.9° |
| C26 | C30 | H18 | 118.8° | 120.0° |
| C33 | C32 | C31 | 123.1° | 119.9° |
| C32 | C33 | H20 | 109.5° | 109.5° |
| C32 | C33 | H21 | 109.5° | 109.5° |
| C32 | C33 | H22 | 109.4° | 109.5° |
| C32 | C31 | C30 | 122.3° | 120.1° |
| C32 | C31 | H19 | 118.9° | 119.9° |
| C31 | C30 | H18 | 118.8° | 120.0° |
| C30 | C31 | H19 | 118.9° | 120.0° |
| H10 | C20 | H11 | 109.5° | 110.7° |
| H12 | C22 | H13 | 109.4° | 110.5° |
| H14 | C28 | H15 | 109.4° | 109.4° |
| H14 | C28 | H16 | 109.5° | 109.5° |
| H15 | C28 | H16 | 109.5° | 109.4° |
| H20 | C33 | H21 | 109.5° | 109.5° |
| H20 | C33 | H22 | 109.5° | 109.5° |
| H21 | C33 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C12 | H4 | 180.0° | 180.0° |
| C13 | C14 | C15 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | C11 | 0.5° | 0.5° |
| C13 | C14 | C15 | C10 | 0.7° | 0.3° |
| C14 | C13 | C12 | H3 | 179.5° | 179.8° |
| C13 | C14 | C15 | H9 | 179.3° | 179.7° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H3 | 180.0° | 179.2° |
| C13 | C12 | C11 | C10 | 0.2° | 0.8° |
| C12 | C13 | C14 | H1 | 179.8° | 179.7° |
| C13 | C12 | C11 | H2 | 179.8° | 179.2° |
| C14 | C15 | C10 | H9 | 180.0° | 180.0° |
| C14 | C15 | C10 | C11 | 1.3° | 0.0° |
| C14 | C15 | C10 | C09 | 179.4° | 179.5° |
| C15 | C14 | C13 | H4 | 179.8° | 180.0° |
| C12 | C11 | C10 | C15 | 1.0° | 0.5° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 178.9° | 180.0° |
| C11 | C12 | C13 | H4 | 179.5° | 179.5° |
| C15 | C10 | C11 | C09 | 177.9° | 179.5° |
| C15 | C10 | C09 | C08 | 48.5° | 22.9° |
| C15 | C10 | C09 | O16 | 126.7° | 157.0° |
| C10 | C15 | C14 | H1 | 179.3° | 180.0° |
| C15 | C10 | C11 | H2 | 179.0° | 179.5° |
| C11 | C10 | C09 | C08 | 129.3° | 157.6° |
| C11 | C10 | C09 | O16 | 55.4° | 22.5° |
| C10 | C11 | C12 | H3 | 179.8° | 180.0° |
| C11 | C10 | C15 | H9 | 178.7° | 180.0° |
| C10 | C09 | C08 | C05 | 24.9° | 22.5° |
| C10 | C09 | C08 | O16 | 175.3° | 180.0° |
| C10 | C09 | C08 | C07 | 151.0° | 157.8° |
| C09 | C10 | C11 | H2 | 1.1° | 0.0° |
| C09 | C10 | C15 | H9 | 0.6° | 0.5° |
| C04 | C05 | C08 | H6 | 180.0° | 179.9° |
| C05 | C04 | C03 | H5 | 180.0° | 180.0° |
| C04 | C05 | C08 | C09 | 177.7° | 180.0° |
| C04 | C05 | C08 | C07 | 1.4° | 0.3° |
| C05 | C04 | C03 | C02 | 177.2° | 180.0° |
| C05 | C04 | C03 | C06 | 2.7° | 0.2° |
| C08 | C05 | C04 | C03 | 0.6° | 0.1° |
| C05 | C08 | C09 | C07 | 175.9° | 179.7° |
| C05 | C08 | C09 | O16 | 159.7° | 157.5° |
| C05 | C08 | C07 | C06 | 1.2° | 0.3° |
| C08 | C05 | C04 | H5 | 179.4° | 179.9° |
| C05 | C08 | C07 | H8 | 178.8° | 179.7° |
| C04 | C03 | C02 | O01 | 10.7° | 174.4° |
| C04 | C03 | C02 | C06 | 174.0° | 179.7° |
| C04 | C03 | C02 | N17 | 175.4° | 5.5° |
| C04 | C03 | C06 | C07 | 3.0° | 0.2° |
| C03 | C04 | C05 | H6 | 179.4° | 179.9° |
| C04 | C03 | C06 | H7 | 177.0° | 179.7° |
| O01 | C02 | C03 | N17 | 173.9° | 180.0° |
| O01 | C02 | C03 | C06 | 163.3° | 5.3° |
| O01 | C02 | N17 | C18 | 1.3° | 4.7° |
| O01 | C02 | N17 | H23 | 178.7° | 175.3° |
| C09 | C08 | C07 | C06 | 177.4° | 180.0° |
| C09 | C08 | C05 | H6 | 2.3° | 0.1° |
| C09 | C08 | C07 | H8 | 2.6° | 0.0° |
| O16 | C09 | C08 | C07 | 24.4° | 22.2° |
| C08 | C07 | C06 | C03 | 1.0° | 0.0° |
| C08 | C07 | C06 | H8 | 180.0° | 180.0° |
| C07 | C08 | C05 | H6 | 178.6° | 179.8° |
| C08 | C07 | C06 | H7 | 179.0° | 180.0° |
| C28 | C27 | C29 | C26 | 179.1° | 180.0° |
| C28 | C27 | C26 | N25 | 4.0° | 0.2° |
| C28 | C27 | C29 | C32 | 179.8° | 180.0° |
| C28 | C27 | C26 | C30 | 179.4° | 180.0° |
| C27 | C28 | H14 | H15 | 120.0° | 120.0° |
| C27 | C28 | H14 | H16 | 120.0° | 120.0° |
| C27 | C28 | H15 | H16 | 120.0° | 120.0° |
| C28 | C27 | C29 | H17 | 0.1° | 0.0° |
| C02 | C03 | C06 | C07 | 177.5° | 180.0° |
| C03 | C02 | N17 | C18 | 175.4° | 175.2° |
| C02 | C03 | C04 | H5 | 2.8° | 0.0° |
| C02 | C03 | C06 | H7 | 2.5° | 0.1° |
| C03 | C02 | N17 | H23 | 4.6° | 4.7° |
| C06 | C03 | C02 | N17 | 10.6° | 174.7° |
| C03 | C06 | C07 | H7 | 180.0° | 179.9° |
| C06 | C03 | C04 | H5 | 177.3° | 179.8° |
| C03 | C06 | C07 | H8 | 179.0° | 179.9° |
| C02 | N17 | C18 | C19 | 43.8° | 27.0° |
| C02 | N17 | C18 | H23 | 180.0° | 180.0° |
| C02 | N17 | C18 | N25 | 134.5° | 152.6° |
| S21 | C20 | C19 | H10 | 119.4° | 118.5° |
| S21 | C20 | C19 | H11 | 119.4° | 118.5° |
| S21 | C20 | C19 | C23 | 13.0° | 17.5° |
| S21 | C20 | C19 | C18 | 164.7° | 162.5° |
| C20 | S21 | C22 | C23 | 18.1° | 23.6° |
| S21 | C20 | H10 | H11 | 121.8° | 123.0° |
| C20 | S21 | C22 | H12 | 101.0° | 142.1° |
| C20 | S21 | C22 | H13 | 137.2° | 94.9° |
| C19 | C20 | S21 | C22 | 18.1° | 23.6° |
| C20 | C19 | C23 | C18 | 178.4° | 179.9° |
| C20 | C19 | C23 | C22 | 0.7° | 0.1° |
| C20 | C19 | C18 | N17 | 1.9° | 0.4° |
| C20 | C19 | C23 | N24 | 179.4° | 180.0° |
| C20 | C19 | C18 | N25 | 179.6° | 180.0° |
| C19 | C20 | H10 | H11 | 121.8° | 122.9° |
| S21 | C22 | C23 | C19 | 13.8° | 17.5° |
| S21 | C22 | C23 | H12 | 119.2° | 118.5° |
| S21 | C22 | C23 | H13 | 119.2° | 118.7° |
| S21 | C22 | C23 | N24 | 166.3° | 162.5° |
| C22 | S21 | C20 | H10 | 137.4° | 94.9° |
| C22 | S21 | C20 | H11 | 101.3° | 142.1° |
| S21 | C22 | H12 | H13 | 122.5° | 123.1° |
| C19 | C23 | C22 | N24 | 179.9° | 179.9° |
| C23 | C19 | C18 | N17 | 179.8° | 179.7° |
| C23 | C19 | C18 | N25 | 1.8° | 0.1° |
| C19 | C23 | N24 | N25 | 0.1° | 0.0° |
| C23 | C19 | C20 | H10 | 132.4° | 101.1° |
| C23 | C19 | C20 | H11 | 106.3° | 135.9° |
| C19 | C23 | C22 | H12 | 105.4° | 136.0° |
| C19 | C23 | C22 | H13 | 133.0° | 101.2° |
| C18 | C19 | C23 | C22 | 179.1° | 180.0° |
| C19 | C18 | N17 | N25 | 178.2° | 179.6° |
| C18 | C19 | C23 | N24 | 1.0° | 0.0° |
| C19 | C18 | N25 | N24 | 1.9° | 0.1° |
| C19 | C18 | N25 | C26 | 179.0° | 180.0° |
| C18 | C19 | C20 | H10 | 45.3° | 79.0° |
| C18 | C19 | C20 | H11 | 75.9° | 44.0° |
| C19 | C18 | N17 | H23 | 136.2° | 153.0° |
| C22 | C23 | N24 | N25 | 179.8° | 180.0° |
| C23 | C22 | H12 | H13 | 122.4° | 122.9° |
| N17 | C18 | N25 | N24 | 179.5° | 179.7° |
| N17 | C18 | N25 | C26 | 2.4° | 0.4° |
| C23 | N24 | N25 | C18 | 1.3° | 0.0° |
| C23 | N24 | N25 | C26 | 178.4° | 179.9° |
| N24 | C23 | C22 | H12 | 74.5° | 44.1° |
| N24 | C23 | C22 | H13 | 47.2° | 78.8° |
| C18 | N25 | C26 | C27 | 55.2° | 131.9° |
| C18 | N25 | N24 | C26 | 177.1° | 179.9° |
| C18 | N25 | C26 | C30 | 120.0° | 47.9° |
| N25 | C18 | N17 | H23 | 45.5° | 27.4° |
| C29 | C27 | C26 | N25 | 176.9° | 179.8° |
| C27 | C29 | C32 | H17 | 180.0° | 180.0° |
| C29 | C27 | C26 | C30 | 1.5° | 0.0° |
| C27 | C29 | C32 | C33 | 179.4° | 180.0° |
| C27 | C29 | C32 | C31 | 0.2° | 0.0° |
| C29 | C27 | C28 | H14 | 90.4° | 95.3° |
| C29 | C27 | C28 | H15 | 149.6° | 144.7° |
| C29 | C27 | C28 | H16 | 29.6° | 24.7° |
| C27 | C26 | N25 | N24 | 128.1° | 47.9° |
| C27 | C26 | N25 | C30 | 175.2° | 179.8° |
| C26 | C27 | C29 | C32 | 0.7° | 0.0° |
| C27 | C26 | C30 | C31 | 1.9° | 0.0° |
| C26 | C27 | C28 | H14 | 90.5° | 84.7° |
| C26 | C27 | C28 | H15 | 29.5° | 35.3° |
| C26 | C27 | C28 | H16 | 149.5° | 155.3° |
| C26 | C27 | C29 | H17 | 179.3° | 180.0° |
| C27 | C26 | C30 | H18 | 178.0° | 180.0° |
| N24 | N25 | C26 | C30 | 56.7° | 132.3° |
| N25 | C26 | C30 | C31 | 177.6° | 179.8° |
| N25 | C26 | C30 | H18 | 2.4° | 0.2° |
| C29 | C32 | C33 | C31 | 179.1° | 179.9° |
| C29 | C32 | C31 | C30 | 0.6° | 0.0° |
| C29 | C32 | C31 | H19 | 179.4° | 180.0° |
| C29 | C32 | C33 | H20 | 89.6° | 90.0° |
| C29 | C32 | C33 | H21 | 150.4° | 150.0° |
| C29 | C32 | C33 | H22 | 30.4° | 30.0° |
| C26 | C30 | C31 | C32 | 1.6° | 0.0° |
| C26 | C30 | C31 | H18 | 180.0° | 179.9° |
| C26 | C30 | C31 | H19 | 178.4° | 179.9° |
| C33 | C32 | C31 | C30 | 179.8° | 180.0° |
| C33 | C32 | C29 | H17 | 0.6° | 0.0° |
| C33 | C32 | C31 | H19 | 0.2° | 0.1° |
| C32 | C33 | H20 | H21 | 120.0° | 120.0° |
| C32 | C33 | H20 | H22 | 120.0° | 120.0° |
| C32 | C33 | H21 | H22 | 119.9° | 120.0° |
| C32 | C31 | C30 | H19 | 180.0° | 179.9° |
| C31 | C32 | C29 | H17 | 179.8° | 180.0° |
| C32 | C31 | C30 | H18 | 178.4° | 180.0° |
| C31 | C32 | C33 | H20 | 89.6° | 90.1° |
| C31 | C32 | C33 | H21 | 30.5° | 30.0° |
| C31 | C32 | C33 | H22 | 150.4° | 149.9° |
| H1 | C14 | C13 | H4 | 0.2° | 0.3° |
| H1 | C14 | C15 | H9 | 0.7° | 0.0° |
| H2 | C11 | C12 | H3 | 0.2° | 0.0° |
| H3 | C12 | C13 | H4 | 0.5° | 0.2° |
| H5 | C04 | C05 | H6 | 0.6° | 0.1° |
| H7 | C06 | C07 | H8 | 1.0° | 0.0° |
| H14 | C28 | H15 | H16 | 120.0° | 119.9° |
| H18 | C30 | C31 | H19 | 1.6° | 0.0° |
| H20 | C33 | H21 | H22 | 120.0° | 120.0° |
