GK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | B15 | sing | 1.42Å | 1.53Å | |
| O14 | C8 | doub | 1.21Å | 1.22Å | |
| B15 | C4 | sing | 1.57Å | 1.61Å | |
| B15 | O16 | sing | 1.42Å | 1.53Å | |
| C4 | N5 | sing | 1.47Å | 1.47Å | |
| C4 | C3 | sing | 1.54Å | 1.52Å | |
| C8 | N5 | sing | 1.35Å | 1.34Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| N5 | C1 | sing | 1.47Å | 1.46Å | |
| C9 | N13 | sing | 1.47Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.55Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | 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 | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| N13 | H16 | sing | 1.01Å | 1.00Å | |
| N13 | H17 | sing | 1.01Å | 1.00Å | |
| O16 | H19 | sing | 0.97Å | 0.95Å | |
| O17 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | B15 | C4 | 111.9° | 120.0° |
| O17 | B15 | O16 | 107.6° | 120.0° |
| B15 | O17 | H20 | 109.5° | 114.0° |
| O14 | C8 | N5 | 121.1° | 120.0° |
| O14 | C8 | C9 | 116.4° | 120.0° |
| C4 | B15 | O16 | 110.9° | 120.0° |
| B15 | C4 | N5 | 113.3° | 109.9° |
| B15 | C4 | C3 | 110.5° | 109.9° |
| B15 | C4 | H1 | 108.3° | 110.0° |
| B15 | O16 | H19 | 109.5° | 114.0° |
| N5 | C4 | C3 | 105.2° | 107.3° |
| C4 | N5 | C8 | 119.3° | 125.7° |
| C4 | N5 | C1 | 112.1° | 108.7° |
| N5 | C4 | H1 | 110.1° | 109.8° |
| C4 | C3 | C2 | 107.5° | 103.0° |
| C3 | C4 | H1 | 109.4° | 109.9° |
| C4 | C3 | H2 | 110.0° | 110.7° |
| C4 | C3 | H3 | 110.0° | 110.7° |
| N5 | C8 | C9 | 122.5° | 120.1° |
| C8 | N5 | C1 | 128.6° | 125.6° |
| C8 | C9 | N13 | 110.2° | 109.5° |
| C8 | C9 | C10 | 116.9° | 109.5° |
| C8 | C9 | H8 | 106.2° | 109.4° |
| N5 | C1 | C2 | 105.8° | 104.9° |
| N5 | C1 | H6 | 110.4° | 110.4° |
| N5 | C1 | H7 | 110.4° | 110.5° |
| N13 | C9 | C10 | 110.5° | 109.5° |
| N13 | C9 | H8 | 106.4° | 109.5° |
| C9 | N13 | H16 | 109.5° | 111.0° |
| C9 | N13 | H17 | 109.4° | 111.0° |
| C9 | C10 | C12 | 114.2° | 109.5° |
| C9 | C10 | C11 | 108.7° | 109.5° |
| C10 | C9 | H8 | 105.9° | 109.5° |
| C9 | C10 | H9 | 107.5° | 109.4° |
| C3 | C2 | C1 | 107.4° | 101.5° |
| C2 | C3 | H2 | 110.0° | 110.7° |
| C2 | C3 | H3 | 109.9° | 110.7° |
| C3 | C2 | H4 | 110.0° | 111.0° |
| C3 | C2 | H5 | 110.0° | 111.0° |
| C12 | C10 | C11 | 111.1° | 109.5° |
| C12 | C10 | H9 | 107.5° | 109.5° |
| C10 | C12 | H13 | 109.5° | 109.4° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| C10 | C12 | H15 | 109.5° | 109.5° |
| C11 | C10 | H9 | 107.6° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 109.4° | 109.5° |
| C1 | C2 | H4 | 110.0° | 111.0° |
| C1 | C2 | H5 | 110.0° | 111.0° |
| C2 | C1 | H6 | 110.4° | 110.4° |
| C2 | C1 | H7 | 110.4° | 110.4° |
| H2 | C3 | H3 | 109.5° | 110.7° |
| H4 | C2 | H5 | 109.5° | 111.0° |
| H6 | C1 | H7 | 109.5° | 110.3° |
| H10 | C11 | H11 | 109.5° | 109.5° |
| H10 | C11 | H12 | 109.5° | 109.4° |
| H11 | C11 | H12 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H15 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | N13 | H17 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | B15 | C4 | O16 | 120.2° | 180.0° |
| O17 | B15 | C4 | N5 | 57.3° | 30.0° |
| O17 | B15 | C4 | C3 | 175.1° | 87.8° |
| O17 | B15 | C4 | H1 | 65.1° | 151.1° |
| O17 | B15 | O16 | H19 | 180.0° | 0.1° |
| O14 | C8 | N5 | C4 | 0.2° | 4.7° |
| O14 | C8 | N5 | C9 | 178.3° | 180.0° |
| O14 | C8 | N5 | C1 | 178.4° | 175.2° |
| O14 | C8 | C9 | N13 | 104.8° | 39.4° |
| O14 | C8 | C9 | C10 | 128.0° | 80.6° |
| O14 | C8 | C9 | H8 | 10.0° | 159.4° |
| B15 | C4 | N5 | C3 | 120.8° | 119.4° |
| B15 | C4 | N5 | H1 | 121.4° | 121.2° |
| B15 | C4 | C3 | H1 | 119.1° | 121.2° |
| B15 | C4 | N5 | C8 | 75.6° | 61.7° |
| B15 | C4 | N5 | C1 | 106.0° | 118.4° |
| B15 | C4 | C3 | C2 | 112.9° | 141.6° |
| B15 | C4 | C3 | H2 | 6.8° | 23.2° |
| B15 | C4 | C3 | H3 | 127.4° | 100.0° |
| C4 | B15 | O16 | H19 | 57.3° | 179.9° |
| C4 | B15 | O17 | H20 | 4.5° | 180.0° |
| O16 | B15 | C4 | N5 | 62.9° | 150.0° |
| O16 | B15 | C4 | C3 | 54.9° | 92.2° |
| O16 | B15 | C4 | H1 | 174.7° | 28.9° |
| O16 | B15 | O17 | H20 | 117.6° | 0.0° |
| N5 | C4 | C3 | H1 | 118.3° | 119.4° |
| C4 | N5 | C8 | C1 | 178.1° | 179.9° |
| C4 | N5 | C8 | C9 | 178.1° | 175.3° |
| N5 | C4 | C3 | C2 | 9.7° | 22.2° |
| C4 | N5 | C1 | C2 | 13.8° | 24.1° |
| N5 | C4 | C3 | H2 | 129.4° | 96.2° |
| N5 | C4 | C3 | H3 | 109.9° | 140.6° |
| C4 | N5 | C1 | H6 | 133.2° | 94.7° |
| C4 | N5 | C1 | H7 | 105.6° | 143.0° |
| C3 | C4 | N5 | C8 | 163.6° | 178.9° |
| C3 | C4 | N5 | C1 | 14.8° | 1.1° |
| C4 | C3 | C2 | H2 | 119.7° | 118.4° |
| C4 | C3 | C2 | H3 | 119.7° | 118.4° |
| C4 | C3 | C2 | C1 | 1.8° | 35.5° |
| C4 | C3 | H2 | H3 | 120.9° | 123.2° |
| C4 | C3 | C2 | H4 | 117.9° | 153.5° |
| C4 | C3 | C2 | H5 | 121.4° | 82.5° |
| N5 | C8 | C9 | N13 | 73.6° | 140.6° |
| N5 | C8 | C9 | C10 | 53.6° | 99.4° |
| C8 | N5 | C1 | C2 | 164.4° | 155.8° |
| C8 | N5 | C4 | H1 | 45.8° | 59.5° |
| C8 | N5 | C1 | H6 | 45.0° | 85.3° |
| C8 | N5 | C1 | H7 | 76.2° | 36.9° |
| N5 | C8 | C9 | H8 | 171.5° | 20.6° |
| C9 | C8 | N5 | C1 | 0.0° | 4.8° |
| C8 | C9 | N13 | C10 | 130.7° | 120.1° |
| C8 | C9 | N13 | H8 | 114.8° | 120.0° |
| C8 | C9 | C10 | H8 | 118.1° | 120.0° |
| C8 | C9 | C10 | C12 | 37.4° | 64.0° |
| C8 | C9 | C10 | C11 | 162.1° | 175.9° |
| C8 | C9 | C10 | H9 | 81.8° | 55.9° |
| C8 | C9 | N13 | H16 | 180.0° | 60.0° |
| C8 | C9 | N13 | H17 | 60.0° | 63.9° |
| N5 | C1 | C2 | C3 | 6.9° | 37.0° |
| N5 | C1 | C2 | H6 | 119.4° | 118.9° |
| N5 | C1 | C2 | H7 | 119.4° | 119.0° |
| C1 | N5 | C4 | H1 | 132.6° | 120.5° |
| N5 | C1 | C2 | H4 | 126.6° | 155.0° |
| N5 | C1 | C2 | H5 | 112.7° | 81.0° |
| N5 | C1 | H6 | H7 | 121.7° | 122.4° |
| N13 | C9 | C10 | H8 | 114.8° | 120.0° |
| N13 | C9 | C10 | C12 | 164.5° | 175.9° |
| N13 | C9 | C10 | C11 | 70.8° | 55.9° |
| N13 | C9 | C10 | H9 | 45.3° | 64.1° |
| C9 | N13 | H16 | H17 | 120.0° | 124.0° |
| C9 | C10 | C12 | C11 | 123.4° | 120.0° |
| C9 | C10 | C12 | H9 | 119.1° | 119.9° |
| C9 | C10 | C11 | H9 | 116.1° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 60.0° |
| C9 | C10 | C11 | H11 | 60.0° | 180.0° |
| C9 | C10 | C11 | H12 | 60.0° | 60.0° |
| C9 | C10 | C12 | H13 | 180.0° | 65.5° |
| C9 | C10 | C12 | H14 | 60.0° | 54.4° |
| C9 | C10 | C12 | H15 | 60.0° | 174.5° |
| C10 | C9 | N13 | H16 | 49.3° | 60.0° |
| C10 | C9 | N13 | H17 | 70.7° | 176.0° |
| C3 | C2 | C1 | H4 | 119.7° | 118.0° |
| C3 | C2 | C1 | H5 | 119.7° | 118.0° |
| C2 | C3 | C4 | H1 | 128.0° | 97.2° |
| C2 | C3 | H2 | H3 | 120.9° | 123.2° |
| C3 | C2 | H4 | H5 | 121.0° | 123.9° |
| C3 | C2 | C1 | H6 | 126.4° | 81.9° |
| C3 | C2 | C1 | H7 | 112.5° | 156.0° |
| C12 | C10 | C11 | H9 | 117.4° | 120.0° |
| C12 | C10 | C9 | H8 | 80.7° | 56.0° |
| C12 | C10 | C11 | H10 | 53.5° | 60.0° |
| C12 | C10 | C11 | H11 | 173.5° | 60.0° |
| C12 | C10 | C11 | H12 | 66.5° | 180.0° |
| C10 | C12 | H13 | H14 | 120.0° | 120.0° |
| C10 | C12 | H13 | H15 | 120.0° | 120.0° |
| C10 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C10 | C9 | H8 | 44.0° | 64.1° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H10 | H12 | 120.0° | 120.0° |
| C10 | C11 | H11 | H12 | 120.0° | 120.0° |
| C11 | C10 | C12 | H13 | 56.6° | 54.5° |
| C11 | C10 | C12 | H14 | 63.5° | 174.5° |
| C11 | C10 | C12 | H15 | 176.5° | 65.5° |
| C1 | C2 | C3 | H2 | 121.5° | 82.9° |
| C1 | C2 | C3 | H3 | 117.9° | 153.9° |
| C1 | C2 | H4 | H5 | 120.9° | 123.9° |
| C2 | C1 | H6 | H7 | 121.7° | 122.2° |
| H1 | C4 | C3 | H2 | 112.3° | 144.4° |
| H1 | C4 | C3 | H3 | 8.3° | 21.2° |
| H2 | C3 | C2 | H4 | 1.8° | 35.2° |
| H2 | C3 | C2 | H5 | 118.9° | 159.1° |
| H3 | C3 | C2 | H4 | 122.4° | 88.1° |
| H3 | C3 | C2 | H5 | 1.8° | 35.9° |
| H4 | C2 | C1 | H6 | 114.0° | 36.2° |
| H4 | C2 | C1 | H7 | 7.2° | 86.0° |
| H5 | C2 | C1 | H6 | 6.7° | 160.1° |
| H5 | C2 | C1 | H7 | 127.8° | 37.9° |
| H8 | C9 | C10 | H9 | 160.2° | 175.9° |
| H8 | C9 | N13 | H16 | 65.2° | 180.0° |
| H8 | C9 | N13 | H17 | 174.7° | 56.0° |
| H9 | C10 | C11 | H10 | 63.9° | 180.0° |
| H9 | C10 | C11 | H11 | 56.1° | 60.0° |
| H9 | C10 | C11 | H12 | 176.1° | 60.0° |
| H9 | C10 | C12 | H13 | 60.8° | 174.5° |
| H9 | C10 | C12 | H14 | 179.1° | 65.5° |
| H9 | C10 | C12 | H15 | 59.1° | 54.5° |
| H10 | C11 | H11 | H12 | 120.0° | 119.9° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
