GIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C02 | doub | 1.21Å | 1.25Å | |
| C01 | C02 | sing | 1.51Å | 1.52Å | |
| C02 | N04 | sing | 1.35Å | 1.43Å | |
| C06 | C07 | sing | 1.53Å | 1.57Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| N04 | C05 | sing | 1.46Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C05 | C10 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.51Å | 1.51Å | |
| N18 | C19 | doub | 1.30Å | 1.38Å | Aromatic |
| N18 | N17 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C19 | C21 | sing | 1.41Å | 1.47Å | Aromatic |
| N17 | C16 | sing | 1.37Å | 1.41Å | Aromatic |
| C08 | O11 | sing | 1.43Å | 1.45Å | |
| C08 | C09 | sing | 1.53Å | 1.57Å | |
| C24 | N25 | sing | 1.32Å | 1.36Å | Aromatic |
| C21 | C16 | doub | 1.41Å | 1.39Å | Aromatic |
| C21 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.45Å | Aromatic |
| O11 | C12 | sing | 1.36Å | 1.41Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.43Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| C14 | C22 | sing | 1.48Å | 1.47Å | |
| C22 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | CL1 | sing | 1.74Å | 1.78Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| N04 | H22 | sing | 0.97Å | 1.00Å | |
| N17 | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C02 | C01 | 117.7° | 120.0° |
| O03 | C02 | N04 | 116.9° | 120.0° |
| C01 | C02 | N04 | 125.4° | 120.0° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | N04 | C05 | 124.5° | 120.0° |
| C02 | N04 | H22 | 117.8° | 120.0° |
| C07 | C06 | C05 | 112.6° | 109.5° |
| C06 | C07 | C08 | 113.9° | 109.5° |
| C07 | C06 | H14 | 108.7° | 109.4° |
| C07 | C06 | H15 | 108.7° | 109.4° |
| C06 | C07 | H16 | 108.4° | 109.5° |
| C06 | C07 | H17 | 108.4° | 109.4° |
| C06 | C05 | N04 | 111.6° | 109.5° |
| C06 | C05 | C10 | 107.4° | 109.5° |
| C06 | C05 | H13 | 108.2° | 109.5° |
| C05 | C06 | H14 | 108.7° | 109.5° |
| C05 | C06 | H15 | 108.7° | 109.5° |
| N04 | C05 | C10 | 111.9° | 109.5° |
| N04 | C05 | H13 | 109.1° | 109.5° |
| C05 | N04 | H22 | 117.7° | 120.0° |
| C07 | C08 | O11 | 107.0° | 109.5° |
| C07 | C08 | C09 | 109.5° | 109.5° |
| C08 | C07 | H16 | 108.3° | 109.5° |
| C08 | C07 | H17 | 108.3° | 109.5° |
| C07 | C08 | H18 | 109.4° | 109.4° |
| C05 | C10 | C09 | 115.3° | 109.5° |
| C05 | C10 | H1 | 108.0° | 109.5° |
| C05 | C10 | H2 | 108.0° | 109.4° |
| C10 | C05 | H13 | 108.5° | 109.4° |
| C20 | C19 | N18 | 124.3° | 125.6° |
| C20 | C19 | C21 | 129.2° | 125.7° |
| C19 | C20 | H5 | 109.5° | 109.5° |
| C19 | C20 | H6 | 109.4° | 109.5° |
| C19 | C20 | H7 | 109.5° | 109.4° |
| C19 | N18 | N17 | 109.6° | 109.7° |
| N18 | C19 | C21 | 106.5° | 108.7° |
| N18 | N17 | C16 | 108.1° | 108.1° |
| N18 | N17 | H23 | 125.9° | 126.0° |
| C24 | C23 | C22 | 120.4° | 119.1° |
| C23 | C24 | N25 | 120.5° | 120.9° |
| C23 | C24 | H8 | 119.8° | 119.6° |
| C24 | C23 | H21 | 119.8° | 120.4° |
| C23 | C22 | C14 | 122.0° | 120.9° |
| C23 | C22 | C27 | 116.3° | 118.2° |
| C22 | C23 | H21 | 119.8° | 120.5° |
| C19 | C21 | C16 | 107.2° | 106.9° |
| C19 | C21 | C12 | 134.1° | 133.4° |
| N17 | C16 | C21 | 108.6° | 106.6° |
| N17 | C16 | C15 | 127.4° | 133.6° |
| C16 | N17 | H23 | 126.0° | 125.9° |
| O11 | C08 | C09 | 110.2° | 109.5° |
| C08 | O11 | C12 | 117.2° | 117.0° |
| O11 | C08 | H18 | 111.2° | 109.5° |
| C08 | C09 | C10 | 113.4° | 109.5° |
| C09 | C08 | H18 | 109.5° | 109.4° |
| C08 | C09 | H19 | 108.5° | 109.5° |
| C08 | C09 | H20 | 108.5° | 109.5° |
| C24 | N25 | C26 | 121.6° | 122.0° |
| N25 | C24 | H8 | 119.7° | 119.6° |
| C16 | C21 | C12 | 118.7° | 119.7° |
| C21 | C16 | C15 | 124.0° | 119.8° |
| C21 | C12 | O11 | 119.1° | 120.1° |
| C21 | C12 | C13 | 119.9° | 119.8° |
| C16 | C15 | C14 | 115.9° | 119.9° |
| C16 | C15 | H4 | 122.0° | 120.0° |
| O11 | C12 | C13 | 121.0° | 120.1° |
| C09 | C10 | H1 | 108.0° | 109.5° |
| C09 | C10 | H2 | 108.0° | 109.5° |
| C10 | C09 | H19 | 108.5° | 109.5° |
| C10 | C09 | H20 | 108.5° | 109.5° |
| C12 | C13 | C14 | 120.8° | 120.4° |
| C12 | C13 | H3 | 119.6° | 119.8° |
| C15 | C14 | C13 | 120.6° | 120.4° |
| C15 | C14 | C22 | 117.2° | 119.8° |
| C14 | C15 | H4 | 122.0° | 120.1° |
| C13 | C14 | C22 | 122.2° | 119.8° |
| C14 | C13 | H3 | 119.6° | 119.8° |
| C14 | C22 | C27 | 121.7° | 120.9° |
| C22 | C27 | C26 | 121.0° | 119.0° |
| C22 | C27 | CL1 | 120.2° | 120.5° |
| N25 | C26 | C27 | 120.3° | 120.9° |
| N25 | C26 | H9 | 119.9° | 119.6° |
| C26 | C27 | CL1 | 118.8° | 120.5° |
| C27 | C26 | H9 | 119.9° | 119.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.6° |
| H5 | C20 | H7 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.4° |
| H10 | C01 | H11 | 109.4° | 109.5° |
| H10 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.4° |
| H14 | C06 | H15 | 109.5° | 109.4° |
| H16 | C07 | H17 | 109.5° | 109.4° |
| H19 | C09 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C02 | C01 | N04 | 180.0° | 180.0° |
| O03 | C02 | N04 | C05 | 0.1° | 0.0° |
| O03 | C02 | C01 | H10 | 0.0° | 90.0° |
| O03 | C02 | C01 | H11 | 120.0° | 30.0° |
| O03 | C02 | C01 | H12 | 120.0° | 150.0° |
| O03 | C02 | N04 | H22 | 179.8° | 180.0° |
| C01 | C02 | N04 | C05 | 179.9° | 180.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C01 | C02 | N04 | H22 | 0.2° | 0.0° |
| C02 | N04 | C05 | C06 | 89.0° | 85.0° |
| C02 | N04 | C05 | H22 | 180.0° | 180.0° |
| C02 | N04 | C05 | C10 | 150.6° | 155.0° |
| N04 | C02 | C01 | H10 | 180.0° | 90.0° |
| N04 | C02 | C01 | H11 | 60.0° | 150.0° |
| N04 | C02 | C01 | H12 | 60.0° | 30.1° |
| C02 | N04 | C05 | H13 | 30.6° | 35.0° |
| C07 | C06 | C05 | H14 | 120.5° | 120.0° |
| C07 | C06 | C05 | H15 | 120.5° | 120.0° |
| C07 | C06 | C05 | N04 | 177.5° | 180.0° |
| C06 | C07 | C08 | H16 | 120.7° | 120.1° |
| C06 | C07 | C08 | H17 | 120.7° | 120.0° |
| C07 | C06 | C05 | C10 | 54.6° | 60.0° |
| C06 | C07 | C08 | O11 | 170.3° | 180.0° |
| C06 | C07 | C08 | C09 | 50.9° | 59.9° |
| C07 | C06 | C05 | H13 | 62.4° | 60.0° |
| C07 | C06 | H14 | H15 | 118.5° | 119.9° |
| C06 | C07 | H16 | H17 | 118.0° | 119.9° |
| C06 | C07 | C08 | H18 | 69.1° | 60.0° |
| C06 | C05 | N04 | C10 | 120.4° | 120.0° |
| C06 | C05 | N04 | H13 | 119.5° | 120.0° |
| C05 | C06 | C07 | C08 | 56.1° | 60.0° |
| C06 | C05 | C10 | H13 | 116.8° | 120.0° |
| C06 | C05 | C10 | C09 | 54.2° | 60.0° |
| C06 | C05 | C10 | H1 | 175.1° | 180.0° |
| C06 | C05 | C10 | H2 | 66.6° | 60.0° |
| C05 | C06 | H14 | H15 | 118.6° | 120.1° |
| C05 | C06 | C07 | H16 | 176.7° | 180.0° |
| C05 | C06 | C07 | H17 | 64.6° | 60.0° |
| C06 | C05 | N04 | H22 | 91.0° | 95.0° |
| N04 | C05 | C10 | H13 | 120.3° | 120.0° |
| N04 | C05 | C10 | C09 | 177.1° | 180.0° |
| N04 | C05 | C10 | H1 | 62.1° | 60.0° |
| N04 | C05 | C10 | H2 | 56.2° | 60.0° |
| N04 | C05 | C06 | H14 | 62.0° | 60.0° |
| N04 | C05 | C06 | H15 | 57.1° | 60.0° |
| C07 | C08 | O11 | C09 | 119.0° | 120.0° |
| C07 | C08 | O11 | H18 | 119.4° | 120.0° |
| C07 | C08 | C09 | H18 | 120.0° | 119.9° |
| C07 | C08 | O11 | C12 | 86.2° | 155.0° |
| C07 | C08 | C09 | C10 | 48.8° | 60.0° |
| C08 | C07 | C06 | H14 | 176.5° | 60.1° |
| C08 | C07 | C06 | H15 | 64.4° | 180.0° |
| C08 | C07 | H16 | H17 | 118.0° | 120.0° |
| C07 | C08 | C09 | H19 | 169.4° | 60.0° |
| C07 | C08 | C09 | H20 | 71.8° | 180.0° |
| C05 | C10 | C09 | C08 | 53.8° | 60.0° |
| C05 | C10 | C09 | H1 | 120.8° | 120.0° |
| C05 | C10 | C09 | H2 | 120.9° | 120.0° |
| C05 | C10 | H1 | H2 | 117.3° | 120.0° |
| C10 | C05 | C06 | H14 | 175.0° | 60.0° |
| C10 | C05 | C06 | H15 | 65.9° | 180.0° |
| C05 | C10 | C09 | H19 | 174.4° | 60.0° |
| C05 | C10 | C09 | H20 | 66.7° | 180.0° |
| C10 | C05 | N04 | H22 | 29.4° | 25.0° |
| C20 | C19 | N18 | C21 | 180.0° | 180.0° |
| C20 | C19 | N18 | N17 | 180.0° | 179.3° |
| C20 | C19 | C21 | C16 | 180.0° | 180.0° |
| C20 | C19 | C21 | C12 | 0.1° | 0.9° |
| C19 | C20 | H5 | H6 | 120.0° | 120.1° |
| C19 | C20 | H5 | H7 | 120.0° | 120.0° |
| C19 | C20 | H6 | H7 | 120.0° | 119.9° |
| C19 | N18 | N17 | C16 | 0.1° | 1.2° |
| N18 | C19 | C21 | C16 | 0.0° | 0.0° |
| N18 | C19 | C21 | C12 | 179.8° | 179.1° |
| N18 | C19 | C20 | H5 | 0.0° | 90.0° |
| N18 | C19 | C20 | H6 | 120.0° | 30.1° |
| N18 | C19 | C20 | H7 | 120.0° | 150.0° |
| C19 | N18 | N17 | H23 | 179.9° | 179.9° |
| N17 | N18 | C19 | C21 | 0.0° | 0.7° |
| N18 | N17 | C16 | H23 | 180.0° | 178.9° |
| N18 | N17 | C16 | C21 | 0.1° | 1.1° |
| N18 | N17 | C16 | C15 | 179.8° | 179.7° |
| C24 | C23 | C22 | H21 | 180.0° | 179.9° |
| C23 | C24 | N25 | H8 | 180.0° | 179.7° |
| C24 | C23 | C22 | C14 | 179.8° | 179.8° |
| C24 | C23 | C22 | C27 | 0.0° | 0.0° |
| C23 | C24 | N25 | C26 | 0.0° | 0.2° |
| C22 | C23 | C24 | N25 | 0.0° | 0.0° |
| C23 | C22 | C14 | C15 | 116.4° | 130.2° |
| C23 | C22 | C14 | C13 | 62.9° | 49.8° |
| C23 | C22 | C14 | C27 | 179.8° | 179.8° |
| C23 | C22 | C27 | C26 | 0.0° | 0.2° |
| C23 | C22 | C27 | CL1 | 179.9° | 179.8° |
| C22 | C23 | C24 | H8 | 180.0° | 179.7° |
| C19 | C21 | C16 | N17 | 0.1° | 0.7° |
| C19 | C21 | C16 | C12 | 179.9° | 179.3° |
| C19 | C21 | C16 | C15 | 179.8° | 180.0° |
| C19 | C21 | C12 | O11 | 0.4° | 0.4° |
| C19 | C21 | C12 | C13 | 179.8° | 179.5° |
| C21 | C19 | C20 | H5 | 180.0° | 89.9° |
| C21 | C19 | C20 | H6 | 60.0° | 150.0° |
| C21 | C19 | C20 | H7 | 60.0° | 30.0° |
| N17 | C16 | C21 | C15 | 179.7° | 179.3° |
| N17 | C16 | C21 | C12 | 179.8° | 180.0° |
| N17 | C16 | C15 | C14 | 179.8° | 179.6° |
| N17 | C16 | C15 | H4 | 0.2° | 0.4° |
| O11 | C08 | C09 | H18 | 122.6° | 120.0° |
| C08 | O11 | C12 | C21 | 166.6° | 174.5° |
| O11 | C08 | C09 | C10 | 166.2° | 180.0° |
| C08 | O11 | C12 | C13 | 14.0° | 5.4° |
| O11 | C08 | C07 | H16 | 69.0° | 60.0° |
| O11 | C08 | C07 | H17 | 49.7° | 60.0° |
| O11 | C08 | C09 | H19 | 73.2° | 60.0° |
| O11 | C08 | C09 | H20 | 45.6° | 60.0° |
| C09 | C08 | O11 | C12 | 154.8° | 84.9° |
| C08 | C09 | C10 | H19 | 120.6° | 120.0° |
| C08 | C09 | C10 | H20 | 120.6° | 120.0° |
| C08 | C09 | C10 | H1 | 174.7° | 180.0° |
| C08 | C09 | C10 | H2 | 67.0° | 60.0° |
| C09 | C08 | C07 | H16 | 171.6° | 180.0° |
| C09 | C08 | C07 | H17 | 69.7° | 60.0° |
| C08 | C09 | H19 | H20 | 118.2° | 120.0° |
| C24 | N25 | C26 | C27 | 0.0° | 0.5° |
| C24 | N25 | C26 | H9 | 180.0° | 180.0° |
| N25 | C24 | C23 | H21 | 179.9° | 180.0° |
| C16 | C21 | C12 | O11 | 179.8° | 179.4° |
| C16 | C21 | C12 | C13 | 0.3° | 0.5° |
| C21 | C16 | C15 | C14 | 0.5° | 0.5° |
| C21 | C16 | C15 | H4 | 179.5° | 179.5° |
| C21 | C16 | N17 | H23 | 179.9° | 180.0° |
| C12 | C21 | C16 | C15 | 0.1° | 0.7° |
| C21 | C12 | O11 | C13 | 179.5° | 179.9° |
| C21 | C12 | C13 | C14 | 0.2° | 0.1° |
| C21 | C12 | C13 | H3 | 179.8° | 179.7° |
| C16 | C15 | C14 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.6° | 0.0° |
| C16 | C15 | C14 | C22 | 179.9° | 180.0° |
| C15 | C16 | N17 | H23 | 0.2° | 0.8° |
| O11 | C12 | C13 | C14 | 179.7° | 179.9° |
| O11 | C12 | C13 | H3 | 0.4° | 0.4° |
| C12 | O11 | C08 | H18 | 33.2° | 35.0° |
| C09 | C10 | H1 | H2 | 117.4° | 120.0° |
| C09 | C10 | C05 | H13 | 62.6° | 60.0° |
| C10 | C09 | C08 | H18 | 71.1° | 60.0° |
| C10 | C09 | H19 | H20 | 118.2° | 120.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | C22 | 179.6° | 179.7° |
| C15 | C14 | C13 | C22 | 179.3° | 180.0° |
| C15 | C14 | C22 | C27 | 63.4° | 50.0° |
| C15 | C14 | C13 | H3 | 179.7° | 180.0° |
| C13 | C14 | C22 | C27 | 117.2° | 130.0° |
| C13 | C14 | C15 | H4 | 179.4° | 180.0° |
| C14 | C22 | C27 | C26 | 179.8° | 180.0° |
| C14 | C22 | C27 | CL1 | 0.2° | 0.0° |
| C22 | C14 | C13 | H3 | 0.4° | 0.0° |
| C22 | C14 | C15 | H4 | 0.0° | 0.0° |
| C14 | C22 | C23 | H21 | 0.1° | 0.2° |
| C22 | C27 | C26 | N25 | 0.0° | 0.5° |
| C22 | C27 | C26 | CL1 | 179.9° | 180.0° |
| C22 | C27 | C26 | H9 | 180.0° | 180.0° |
| C27 | C22 | C23 | H21 | 180.0° | 180.0° |
| N25 | C26 | C27 | H9 | 180.0° | 179.5° |
| N25 | C26 | C27 | CL1 | 180.0° | 179.5° |
| C26 | N25 | C24 | H8 | 180.0° | 180.0° |
| CL1 | C27 | C26 | H9 | 0.0° | 0.0° |
| H1 | C10 | C05 | H13 | 58.3° | 60.0° |
| H1 | C10 | C09 | H19 | 64.7° | 60.0° |
| H1 | C10 | C09 | H20 | 54.1° | 60.0° |
| H2 | C10 | C05 | H13 | 176.6° | 180.0° |
| H2 | C10 | C09 | H19 | 53.6° | 180.0° |
| H2 | C10 | C09 | H20 | 172.4° | 60.0° |
| H5 | C20 | H6 | H7 | 120.0° | 120.0° |
| H8 | C24 | C23 | H21 | 0.0° | 0.2° |
| H10 | C01 | H11 | H12 | 119.9° | 120.0° |
| H13 | C05 | C06 | H14 | 58.1° | 180.0° |
| H13 | C05 | C06 | H15 | 177.1° | 60.0° |
| H13 | C05 | N04 | H22 | 149.5° | 145.0° |
| H14 | C06 | C07 | H16 | 62.8° | 60.0° |
| H14 | C06 | C07 | H17 | 55.9° | 179.9° |
| H15 | C06 | C07 | H16 | 56.2° | 59.9° |
| H15 | C06 | C07 | H17 | 174.9° | 60.0° |
| H16 | C07 | C08 | H18 | 51.5° | 60.1° |
| H17 | C07 | C08 | H18 | 170.2° | 180.0° |
| H18 | C08 | C09 | H19 | 49.4° | 179.9° |
| H18 | C08 | C09 | H20 | 168.3° | 60.1° |
