G0I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C09 | sing | 1.51Å | 1.53Å | |
| C09 | O10 | doub | 1.21Å | 1.18Å | |
| C09 | C08 | sing | 1.47Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C08 | C03 | sing | 1.47Å | 1.39Å | Aromatic |
| C08 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.36Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C21 | N20 | sing | 1.47Å | 1.41Å | |
| C22 | N17 | sing | 1.47Å | 1.42Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| C06 | N05 | sing | 1.35Å | 1.33Å | Aromatic |
| C04 | C12 | sing | 1.48Å | 1.53Å | |
| C04 | N05 | sing | 1.37Å | 1.33Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.43Å | Aromatic |
| C12 | N23 | sing | 1.33Å | 1.48Å | Aromatic |
| C13 | S14 | sing | 1.76Å | 1.61Å | Aromatic |
| N23 | C15 | doub | 1.29Å | 1.39Å | Aromatic |
| N20 | C19 | sing | 1.47Å | 1.41Å | |
| N17 | C16 | sing | 1.47Å | 1.25Å | |
| N17 | C18 | sing | 1.47Å | 1.41Å | |
| S14 | C15 | sing | 1.71Å | 1.64Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| N05 | H21 | sing | 0.97Å | 1.00Å | |
| N20 | H22 | sing | 1.01Å | 1.00Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C09 | O10 | 116.9° | 120.0° |
| C11 | C09 | C08 | 123.3° | 120.0° |
| C09 | C11 | H10 | 109.5° | 109.5° |
| C09 | C11 | H11 | 109.4° | 109.5° |
| C09 | C11 | H12 | 109.5° | 109.5° |
| O10 | C09 | C08 | 119.8° | 120.0° |
| C09 | C08 | C03 | 129.4° | 126.9° |
| C09 | C08 | C06 | 124.3° | 126.9° |
| C01 | C02 | C03 | 115.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C01 | C02 | H5 | 108.0° | 109.4° |
| C01 | C02 | H6 | 108.0° | 109.5° |
| C02 | C03 | C08 | 129.5° | 126.9° |
| C02 | C03 | C04 | 123.5° | 126.8° |
| C03 | C02 | H5 | 107.9° | 109.5° |
| C03 | C02 | H6 | 107.9° | 109.5° |
| C03 | C08 | C06 | 106.4° | 106.1° |
| C08 | C03 | C04 | 107.0° | 106.3° |
| C08 | C06 | C07 | 129.5° | 125.8° |
| C08 | C06 | N05 | 108.0° | 108.4° |
| C03 | C04 | C12 | 129.5° | 125.6° |
| C03 | C04 | N05 | 108.2° | 108.8° |
| C22 | C21 | N20 | 115.8° | 109.4° |
| C21 | C22 | N17 | 119.3° | 109.3° |
| C22 | C21 | H1 | 107.9° | 109.5° |
| C21 | C22 | H20 | 107.0° | 109.5° |
| C22 | C21 | H23 | 107.9° | 109.5° |
| C21 | C22 | H24 | 107.0° | 109.5° |
| C21 | N20 | C19 | 114.7° | 110.9° |
| N20 | C21 | H1 | 107.9° | 109.5° |
| C21 | N20 | H22 | 108.1° | 111.0° |
| N20 | C21 | H23 | 107.9° | 109.4° |
| C22 | N17 | C16 | 113.0° | 111.0° |
| C22 | N17 | C18 | 117.5° | 110.9° |
| N17 | C22 | H20 | 107.0° | 109.5° |
| N17 | C22 | H24 | 107.0° | 109.5° |
| C07 | C06 | N05 | 122.5° | 125.8° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| C06 | C07 | H9 | 109.5° | 109.5° |
| C06 | N05 | C04 | 110.4° | 110.4° |
| C06 | N05 | H21 | 124.8° | 124.8° |
| C12 | C04 | N05 | 122.3° | 125.6° |
| C04 | C12 | C13 | 127.4° | 122.9° |
| C04 | C12 | N23 | 121.7° | 123.0° |
| C04 | N05 | H21 | 124.8° | 124.9° |
| C13 | C12 | N23 | 110.8° | 114.0° |
| C12 | C13 | S14 | 109.1° | 107.9° |
| C12 | C13 | H13 | 125.5° | 126.0° |
| C12 | N23 | C15 | 110.6° | 117.2° |
| C13 | S14 | C15 | 99.4° | 90.5° |
| S14 | C13 | H13 | 125.4° | 126.1° |
| N23 | C15 | S14 | 110.1° | 110.5° |
| N23 | C15 | C16 | 124.9° | 124.8° |
| N20 | C19 | C18 | 110.0° | 109.3° |
| N20 | C19 | H18 | 109.4° | 109.5° |
| N20 | C19 | H19 | 109.3° | 109.5° |
| C19 | N20 | H22 | 108.2° | 111.0° |
| C16 | N17 | C18 | 112.4° | 111.0° |
| N17 | C16 | C15 | 108.5° | 109.5° |
| N17 | C16 | H14 | 109.7° | 109.5° |
| N17 | C16 | H15 | 109.7° | 109.4° |
| N17 | C18 | C19 | 112.4° | 109.3° |
| N17 | C18 | H16 | 108.7° | 109.5° |
| N17 | C18 | H17 | 108.8° | 109.5° |
| S14 | C15 | C16 | 125.0° | 124.7° |
| C15 | C16 | H14 | 109.7° | 109.5° |
| C15 | C16 | H15 | 109.7° | 109.5° |
| C19 | C18 | H16 | 108.8° | 109.5° |
| C19 | C18 | H17 | 108.7° | 109.5° |
| C18 | C19 | H18 | 109.3° | 109.5° |
| C18 | C19 | H19 | 109.3° | 109.5° |
| H1 | C21 | H23 | 109.5° | 109.6° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.5° | 109.5° |
| H5 | C02 | H6 | 109.4° | 109.5° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H9 | 109.4° | 109.5° |
| H8 | C07 | H9 | 109.4° | 109.5° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H12 | 109.4° | 109.4° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C22 | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C09 | O10 | C08 | 178.2° | 180.0° |
| C11 | C09 | C08 | C03 | 8.6° | 86.4° |
| C11 | C09 | C08 | C06 | 170.4° | 93.6° |
| C09 | C11 | H10 | H11 | 120.0° | 120.0° |
| C09 | C11 | H10 | H12 | 120.0° | 120.0° |
| C09 | C11 | H11 | H12 | 120.0° | 120.1° |
| O10 | C09 | C08 | C03 | 173.3° | 93.7° |
| O10 | C09 | C08 | C06 | 7.7° | 86.4° |
| O10 | C09 | C11 | H10 | 0.0° | 4.9° |
| O10 | C09 | C11 | H11 | 120.0° | 124.9° |
| O10 | C09 | C11 | H12 | 120.0° | 115.0° |
| C09 | C08 | C03 | C02 | 0.9° | 0.0° |
| C09 | C08 | C03 | C06 | 179.1° | 179.9° |
| C09 | C08 | C03 | C04 | 178.8° | 179.7° |
| C09 | C08 | C06 | C07 | 0.6° | 0.2° |
| C09 | C08 | C06 | N05 | 178.7° | 179.8° |
| C08 | C09 | C11 | H10 | 178.2° | 175.0° |
| C08 | C09 | C11 | H11 | 58.2° | 55.0° |
| C08 | C09 | C11 | H12 | 61.8° | 65.1° |
| C01 | C02 | C03 | H5 | 120.9° | 120.0° |
| C01 | C02 | C03 | H6 | 120.9° | 120.0° |
| C01 | C02 | C03 | C08 | 76.3° | 90.3° |
| C01 | C02 | C03 | C04 | 106.2° | 90.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H4 | 120.0° | 120.0° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | H5 | H6 | 117.3° | 120.0° |
| C02 | C03 | C08 | C04 | 177.9° | 179.7° |
| C02 | C03 | C08 | C06 | 178.2° | 180.0° |
| C02 | C03 | C04 | C12 | 1.7° | 0.1° |
| C02 | C03 | C04 | N05 | 178.1° | 180.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | C01 | H4 | 60.0° | 60.0° |
| C03 | C02 | H5 | H6 | 117.2° | 120.0° |
| C03 | C08 | C06 | C07 | 179.8° | 179.9° |
| C03 | C08 | C06 | N05 | 0.5° | 0.2° |
| C08 | C03 | C04 | C12 | 179.7° | 179.8° |
| C08 | C03 | C04 | N05 | 0.1° | 0.3° |
| C08 | C03 | C02 | H5 | 162.8° | 149.7° |
| C08 | C03 | C02 | H6 | 44.6° | 29.7° |
| C06 | C08 | C03 | C04 | 0.3° | 0.3° |
| C08 | C06 | C07 | N05 | 179.2° | 180.0° |
| C08 | C06 | N05 | C04 | 0.4° | 0.0° |
| C08 | C06 | C07 | H7 | 90.4° | 94.2° |
| C08 | C06 | C07 | H8 | 149.5° | 25.8° |
| C08 | C06 | C07 | H9 | 29.6° | 145.8° |
| C08 | C06 | N05 | H21 | 179.6° | 179.8° |
| C03 | C04 | N05 | C06 | 0.2° | 0.2° |
| C03 | C04 | C12 | N05 | 179.8° | 180.0° |
| C03 | C04 | C12 | C13 | 32.0° | 155.0° |
| C03 | C04 | C12 | N23 | 149.1° | 25.3° |
| C04 | C03 | C02 | H5 | 14.7° | 29.9° |
| C04 | C03 | C02 | H6 | 132.9° | 150.0° |
| C03 | C04 | N05 | H21 | 179.8° | 180.0° |
| C22 | C21 | N20 | H1 | 120.9° | 119.9° |
| C22 | C21 | N20 | H23 | 120.9° | 120.0° |
| C21 | C22 | N17 | H20 | 121.4° | 119.9° |
| C21 | C22 | N17 | H24 | 121.4° | 120.0° |
| C22 | C21 | N20 | C19 | 21.4° | 59.3° |
| C21 | C22 | N17 | C16 | 142.4° | 176.8° |
| C21 | C22 | N17 | C18 | 9.0° | 59.3° |
| C22 | C21 | H1 | H23 | 117.1° | 120.1° |
| C21 | C22 | H20 | H24 | 115.5° | 120.1° |
| C22 | C21 | N20 | H22 | 99.4° | 176.9° |
| N20 | C21 | C22 | N17 | 13.2° | 58.4° |
| C21 | N20 | C19 | H22 | 120.8° | 123.8° |
| C21 | N20 | C19 | C18 | 57.1° | 59.3° |
| N20 | C21 | H1 | H23 | 117.1° | 120.0° |
| C21 | N20 | C19 | H18 | 177.1° | 179.3° |
| C21 | N20 | C19 | H19 | 63.0° | 60.7° |
| N20 | C21 | C22 | H20 | 108.2° | 61.5° |
| N20 | C21 | C22 | H24 | 134.6° | 178.3° |
| C22 | N17 | C16 | C18 | 135.8° | 123.8° |
| C22 | N17 | C16 | C15 | 110.7° | 170.0° |
| C22 | N17 | C18 | C19 | 26.3° | 59.4° |
| N17 | C22 | C21 | H1 | 107.8° | 61.5° |
| C22 | N17 | C16 | H14 | 129.4° | 50.0° |
| C22 | N17 | C16 | H15 | 9.1° | 70.0° |
| C22 | N17 | C18 | H16 | 146.8° | 179.3° |
| C22 | N17 | C18 | H17 | 94.1° | 60.6° |
| N17 | C22 | H20 | H24 | 115.5° | 120.1° |
| N17 | C22 | C21 | H23 | 134.1° | 178.3° |
| C07 | C06 | N05 | C04 | 179.8° | 180.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H9 | 120.0° | 120.0° |
| C06 | C07 | H8 | H9 | 120.0° | 120.0° |
| C07 | C06 | N05 | H21 | 0.2° | 0.1° |
| C06 | N05 | C04 | C12 | 179.9° | 179.9° |
| C06 | N05 | C04 | H21 | 180.0° | 179.8° |
| N05 | C06 | C07 | H7 | 90.4° | 85.8° |
| N05 | C06 | C07 | H8 | 29.7° | 154.3° |
| N05 | C06 | C07 | H9 | 149.7° | 34.3° |
| C04 | C12 | C13 | N23 | 179.0° | 179.7° |
| C04 | C12 | C13 | S14 | 179.0° | 180.0° |
| C04 | C12 | N23 | C15 | 179.3° | 180.0° |
| C04 | C12 | C13 | H13 | 1.1° | 0.1° |
| C12 | C04 | N05 | H21 | 0.1° | 0.0° |
| N05 | C04 | C12 | C13 | 148.2° | 25.0° |
| N05 | C04 | C12 | N23 | 30.7° | 154.7° |
| C12 | C13 | S14 | H13 | 180.0° | 180.0° |
| C13 | C12 | N23 | C15 | 0.3° | 0.3° |
| C12 | C13 | S14 | C15 | 0.3° | 0.2° |
| N23 | C12 | C13 | S14 | 0.0° | 0.3° |
| C12 | N23 | C15 | S14 | 0.5° | 0.1° |
| C12 | N23 | C15 | C16 | 178.8° | 180.0° |
| N23 | C12 | C13 | H13 | 180.0° | 179.8° |
| C13 | S14 | C15 | N23 | 0.4° | 0.0° |
| C13 | S14 | C15 | C16 | 178.9° | 179.9° |
| N23 | C15 | C16 | N17 | 141.8° | 90.0° |
| N23 | C15 | S14 | C16 | 179.3° | 179.9° |
| N23 | C15 | C16 | H14 | 98.3° | 150.0° |
| N23 | C15 | C16 | H15 | 21.9° | 30.0° |
| N20 | C19 | C18 | N17 | 60.6° | 58.4° |
| N20 | C19 | C18 | H18 | 120.1° | 119.9° |
| N20 | C19 | C18 | H19 | 120.0° | 120.0° |
| C19 | N20 | C21 | H1 | 142.3° | 60.6° |
| N20 | C19 | C18 | H16 | 179.0° | 178.4° |
| N20 | C19 | C18 | H17 | 59.9° | 61.6° |
| N20 | C19 | H18 | H19 | 119.8° | 120.1° |
| C19 | N20 | C21 | H23 | 99.5° | 179.3° |
| N17 | C16 | C15 | S14 | 37.4° | 90.1° |
| N17 | C16 | C15 | H14 | 119.9° | 120.0° |
| N17 | C16 | C15 | H15 | 119.9° | 120.0° |
| C16 | N17 | C18 | C19 | 107.3° | 176.8° |
| N17 | C16 | H14 | H15 | 120.5° | 120.0° |
| C16 | N17 | C18 | H16 | 13.1° | 56.8° |
| C16 | N17 | C18 | H17 | 132.3° | 63.2° |
| C16 | N17 | C22 | H20 | 21.0° | 63.3° |
| C16 | N17 | C22 | H24 | 96.2° | 56.8° |
| C18 | N17 | C16 | C15 | 113.5° | 66.2° |
| N17 | C18 | C19 | H16 | 120.4° | 120.0° |
| N17 | C18 | C19 | H17 | 120.5° | 120.0° |
| C18 | N17 | C16 | H14 | 6.4° | 173.8° |
| C18 | N17 | C16 | H15 | 126.7° | 53.8° |
| N17 | C18 | H16 | H17 | 118.7° | 120.1° |
| N17 | C18 | C19 | H18 | 179.3° | 178.4° |
| N17 | C18 | C19 | H19 | 59.5° | 61.6° |
| C18 | N17 | C22 | H20 | 112.4° | 60.6° |
| C18 | N17 | C22 | H24 | 130.4° | 179.3° |
| C15 | S14 | C13 | H13 | 179.7° | 179.9° |
| S14 | C15 | C16 | H14 | 82.5° | 29.9° |
| S14 | C15 | C16 | H15 | 157.3° | 149.9° |
| C15 | C16 | H14 | H15 | 120.4° | 120.0° |
| C19 | C18 | H16 | H17 | 118.7° | 120.0° |
| C18 | C19 | H18 | H19 | 119.7° | 120.0° |
| C18 | C19 | N20 | H22 | 63.7° | 176.8° |
| H1 | C21 | C22 | H20 | 130.8° | 178.5° |
| H1 | C21 | N20 | H22 | 21.5° | 63.2° |
| H1 | C21 | C22 | H24 | 13.6° | 58.4° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H2 | C01 | C02 | H5 | 59.1° | 60.1° |
| H2 | C01 | C02 | H6 | 59.1° | 60.0° |
| H3 | C01 | C02 | H5 | 60.9° | 60.0° |
| H3 | C01 | C02 | H6 | 179.1° | 180.0° |
| H4 | C01 | C02 | H5 | 179.1° | 180.0° |
| H4 | C01 | C02 | H6 | 60.9° | 60.0° |
| H7 | C07 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | H11 | H12 | 120.0° | 119.9° |
| H16 | C18 | C19 | H18 | 58.9° | 61.6° |
| H16 | C18 | C19 | H19 | 61.0° | 58.4° |
| H17 | C18 | C19 | H18 | 60.2° | 58.4° |
| H17 | C18 | C19 | H19 | 179.9° | 178.4° |
| H18 | C19 | N20 | H22 | 56.4° | 56.9° |
| H19 | C19 | N20 | H22 | 176.2° | 63.1° |
| H20 | C22 | C21 | H23 | 12.7° | 58.4° |
| H22 | N20 | C21 | H23 | 139.7° | 56.9° |
| H23 | C21 | C22 | H24 | 104.5° | 61.7° |
