GC2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C8 | doub | 1.21Å | 1.23Å | |
| C8 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C2 | sing | 1.47Å | 1.48Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C3 | O4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | O2 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | N1 | sing | 1.45Å | 1.47Å | |
| N1 | C5 | sing | 1.48Å | 1.52Å | |
| N1 | C9 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | sing | 1.55Å | 1.54Å | |
| C9 | C7 | sing | 1.55Å | 1.55Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C6 | O3 | sing | 1.43Å | 1.44Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C2 | HA | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C4 | HB | sing | 1.09Å | 1.10Å | |
| O2 | HC | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| O3 | HD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C8 | C10 | 118.4° | 120.0° |
| O1 | C8 | N2 | 121.0° | 120.0° |
| C10 | C8 | N2 | 120.6° | 120.0° |
| C8 | C10 | H101 | 109.5° | 109.5° |
| C8 | C10 | H102 | 109.5° | 109.5° |
| C8 | C10 | H103 | 109.5° | 109.5° |
| C8 | N2 | C2 | 130.9° | 120.0° |
| C8 | N2 | H2 | 114.5° | 120.0° |
| N2 | C2 | C3 | 110.0° | 109.7° |
| N2 | C2 | C1 | 113.3° | 109.7° |
| C2 | N2 | H2 | 114.6° | 120.0° |
| N2 | C2 | HA | 107.0° | 109.7° |
| C3 | C2 | C1 | 111.2° | 108.3° |
| C2 | C3 | O4 | 103.8° | 109.7° |
| C2 | C3 | C4 | 109.6° | 108.5° |
| C3 | C2 | HA | 109.3° | 109.7° |
| C2 | C3 | H3 | 115.0° | 109.7° |
| C2 | C1 | N1 | 112.6° | 111.3° |
| C1 | C2 | HA | 105.7° | 109.7° |
| C2 | C1 | H11C | 108.5° | 109.1° |
| C2 | C1 | H12C | 107.7° | 109.1° |
| O4 | C3 | C4 | 114.7° | 109.7° |
| O4 | C3 | H3 | 109.9° | 109.6° |
| C3 | O4 | H4 | 109.5° | 114.1° |
| C3 | C4 | O2 | 111.2° | 109.3° |
| C3 | C4 | C5 | 108.4° | 110.4° |
| C4 | C3 | H3 | 104.2° | 109.8° |
| C3 | C4 | HB | 109.0° | 109.3° |
| O2 | C4 | C5 | 109.4° | 109.4° |
| O2 | C4 | HB | 108.0° | 109.3° |
| C4 | O2 | HC | 109.5° | 114.0° |
| C4 | C5 | N1 | 112.9° | 110.6° |
| C4 | C5 | C6 | 115.9° | 107.0° |
| C5 | C4 | HB | 110.8° | 109.2° |
| C4 | C5 | H5 | 100.8° | 111.5° |
| C1 | N1 | C5 | 111.1° | 114.8° |
| C1 | N1 | C9 | 115.2° | 113.9° |
| N1 | C1 | H11C | 108.4° | 109.1° |
| N1 | C1 | H12C | 107.7° | 109.1° |
| C5 | N1 | C9 | 109.4° | 105.0° |
| N1 | C5 | C6 | 103.8° | 103.5° |
| N1 | C5 | H5 | 113.5° | 111.5° |
| N1 | C9 | C7 | 103.8° | 103.9° |
| N1 | C9 | H91C | 111.4° | 110.6° |
| N1 | C9 | H92C | 112.6° | 110.5° |
| C5 | C6 | C7 | 100.9° | 104.8° |
| C5 | C6 | O3 | 115.0° | 110.4° |
| C6 | C5 | H5 | 110.4° | 112.4° |
| C5 | C6 | H6 | 110.4° | 110.4° |
| C9 | C7 | C6 | 102.9° | 105.1° |
| C7 | C9 | H91C | 111.4° | 110.5° |
| C7 | C9 | H92C | 112.6° | 110.5° |
| C9 | C7 | H71C | 111.7° | 110.3° |
| C9 | C7 | H72C | 113.1° | 110.3° |
| C7 | C6 | O3 | 105.5° | 110.4° |
| C7 | C6 | H6 | 119.2° | 110.3° |
| C6 | C7 | H71C | 111.7° | 110.3° |
| C6 | C7 | H72C | 113.1° | 110.3° |
| O3 | C6 | H6 | 106.2° | 110.4° |
| C6 | O3 | HD | 109.5° | 114.0° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.4° |
| H11C | C1 | H12C | 111.9° | 109.0° |
| H91C | C9 | H92C | 105.2° | 110.7° |
| H71C | C7 | H72C | 104.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C8 | C10 | N2 | 179.8° | 179.6° |
| O1 | C8 | N2 | C2 | 0.5° | 0.1° |
| O1 | C8 | C10 | H101 | 95.3° | 0.0° |
| O1 | C8 | C10 | H102 | 144.7° | 120.0° |
| O1 | C8 | C10 | H103 | 24.7° | 120.1° |
| O1 | C8 | N2 | H2 | 179.5° | 180.0° |
| C10 | C8 | N2 | C2 | 179.7° | 179.7° |
| C8 | C10 | H101 | H102 | 120.0° | 120.0° |
| C8 | C10 | H101 | H103 | 120.0° | 120.0° |
| C8 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C8 | N2 | H2 | 0.3° | 0.4° |
| C8 | N2 | C2 | H2 | 180.0° | 179.9° |
| C8 | N2 | C2 | C3 | 74.9° | 155.1° |
| C8 | N2 | C2 | C1 | 50.3° | 86.1° |
| N2 | C8 | C10 | H101 | 84.9° | 179.6° |
| N2 | C8 | C10 | H102 | 35.1° | 59.7° |
| N2 | C8 | C10 | H103 | 155.1° | 60.3° |
| C8 | N2 | C2 | HA | 166.5° | 34.5° |
| N2 | C2 | C3 | C1 | 126.4° | 119.7° |
| N2 | C2 | C3 | HA | 117.3° | 120.6° |
| N2 | C2 | C1 | HA | 116.9° | 120.5° |
| N2 | C2 | C3 | O4 | 92.6° | 60.1° |
| N2 | C2 | C3 | C4 | 144.4° | 179.8° |
| N2 | C2 | C1 | N1 | 80.6° | 178.0° |
| N2 | C2 | C3 | H3 | 27.4° | 60.3° |
| N2 | C2 | C1 | H11C | 159.4° | 61.6° |
| N2 | C2 | C1 | H12C | 38.1° | 57.5° |
| C3 | C2 | C1 | HA | 118.6° | 119.7° |
| C2 | C3 | O4 | C4 | 119.6° | 119.0° |
| C2 | C3 | O4 | H3 | 123.5° | 120.4° |
| C2 | C3 | C4 | H3 | 123.6° | 119.8° |
| C2 | C3 | C4 | O2 | 175.9° | 179.8° |
| C2 | C3 | C4 | C5 | 63.8° | 59.5° |
| C3 | C2 | C1 | N1 | 43.9° | 58.2° |
| C3 | C2 | N2 | H2 | 105.1° | 25.0° |
| C3 | C2 | C1 | H11C | 76.1° | 178.7° |
| C3 | C2 | C1 | H12C | 162.6° | 62.2° |
| C2 | C3 | O4 | H4 | 133.9° | 180.0° |
| C2 | C3 | C4 | HB | 57.0° | 60.6° |
| C1 | C2 | C3 | O4 | 141.0° | 179.8° |
| C1 | C2 | C3 | C4 | 18.0° | 60.5° |
| C2 | C1 | N1 | H11C | 120.0° | 120.5° |
| C2 | C1 | N1 | H12C | 118.7° | 120.5° |
| C2 | C1 | N1 | C5 | 60.6° | 55.4° |
| C2 | C1 | N1 | C9 | 174.3° | 65.6° |
| C1 | C2 | N2 | H2 | 129.7° | 93.9° |
| C1 | C2 | C3 | H3 | 98.9° | 59.4° |
| C2 | C1 | H11C | H12C | 118.7° | 119.1° |
| O4 | C3 | C4 | H3 | 120.1° | 120.4° |
| O4 | C3 | C4 | O2 | 59.6° | 60.4° |
| O4 | C3 | C4 | C5 | 180.0° | 179.2° |
| O4 | C3 | C2 | HA | 24.6° | 60.5° |
| O4 | C3 | C4 | HB | 59.3° | 59.2° |
| C3 | C4 | O2 | C5 | 119.7° | 121.0° |
| C3 | C4 | O2 | HB | 119.6° | 119.6° |
| C3 | C4 | C5 | HB | 119.6° | 120.1° |
| C3 | C4 | C5 | N1 | 48.5° | 54.4° |
| C3 | C4 | C5 | C6 | 168.0° | 166.5° |
| C4 | C3 | C2 | HA | 98.4° | 59.3° |
| C4 | C3 | O4 | H4 | 14.3° | 61.0° |
| C3 | C4 | O2 | HC | 36.0° | 59.9° |
| C3 | C4 | C5 | H5 | 72.9° | 70.3° |
| O2 | C4 | C5 | HB | 119.0° | 119.6° |
| O2 | C4 | C5 | N1 | 169.9° | 174.7° |
| O2 | C4 | C5 | C6 | 70.6° | 73.2° |
| O2 | C4 | C3 | H3 | 60.5° | 60.0° |
| O2 | C4 | C5 | H5 | 48.5° | 50.0° |
| C4 | C5 | N1 | C1 | 12.3° | 52.9° |
| C4 | C5 | N1 | C6 | 126.2° | 114.3° |
| C4 | C5 | N1 | H5 | 113.9° | 124.6° |
| C4 | C5 | N1 | C9 | 140.6° | 72.9° |
| C4 | C5 | C6 | H5 | 113.7° | 122.7° |
| C4 | C5 | C6 | C7 | 159.9° | 91.3° |
| C4 | C5 | C6 | O3 | 46.9° | 27.5° |
| C5 | C4 | C3 | H3 | 59.8° | 60.3° |
| C5 | C4 | O2 | HC | 83.7° | 179.1° |
| C4 | C5 | C6 | H6 | 73.1° | 149.8° |
| C1 | N1 | C5 | C9 | 128.3° | 125.8° |
| C1 | N1 | C5 | C6 | 114.0° | 167.2° |
| C1 | N1 | C9 | C7 | 138.8° | 167.0° |
| N1 | C1 | C2 | HA | 162.5° | 61.5° |
| N1 | C1 | H11C | H12C | 118.7° | 119.1° |
| C1 | N1 | C5 | H5 | 126.2° | 71.7° |
| C1 | N1 | C9 | H91C | 18.8° | 48.4° |
| C1 | N1 | C9 | H92C | 99.1° | 74.4° |
| N1 | C5 | C6 | H5 | 121.9° | 120.5° |
| C5 | N1 | C9 | C7 | 12.7° | 40.6° |
| N1 | C5 | C6 | C7 | 35.6° | 25.5° |
| N1 | C5 | C6 | O3 | 77.4° | 144.3° |
| C5 | N1 | C1 | H11C | 59.5° | 175.9° |
| C5 | N1 | C1 | H12C | 179.2° | 65.0° |
| N1 | C5 | C4 | HB | 71.1° | 65.8° |
| C5 | N1 | C9 | H91C | 107.3° | 77.9° |
| C5 | N1 | C9 | H92C | 134.8° | 159.2° |
| N1 | C5 | C6 | H6 | 162.5° | 93.3° |
| C9 | N1 | C5 | C6 | 14.4° | 41.4° |
| N1 | C9 | C7 | H91C | 120.0° | 118.6° |
| N1 | C9 | C7 | H92C | 122.1° | 118.6° |
| N1 | C9 | C7 | C6 | 35.3° | 23.3° |
| C9 | N1 | C1 | H11C | 65.7° | 54.8° |
| C9 | N1 | C1 | H12C | 55.6° | 173.9° |
| C9 | N1 | C5 | H5 | 105.5° | 162.5° |
| N1 | C9 | H91C | H92C | 122.3° | 122.8° |
| N1 | C9 | C7 | H71C | 155.3° | 142.2° |
| N1 | C9 | C7 | H72C | 87.1° | 95.6° |
| C5 | C6 | C7 | C9 | 43.6° | 1.3° |
| C5 | C6 | C7 | O3 | 120.0° | 118.8° |
| C5 | C6 | C7 | H6 | 120.9° | 118.9° |
| C5 | C6 | O3 | H6 | 122.4° | 122.3° |
| C6 | C5 | C4 | HB | 48.4° | 46.3° |
| C5 | C6 | C7 | H71C | 163.6° | 117.6° |
| C5 | C6 | C7 | H72C | 78.8° | 120.2° |
| C5 | C6 | O3 | HD | 103.8° | 180.0° |
| C9 | C7 | C6 | H71C | 120.0° | 118.9° |
| C9 | C7 | C6 | H72C | 122.4° | 118.9° |
| C9 | C7 | C6 | O3 | 76.4° | 120.2° |
| C7 | C9 | H91C | H92C | 122.3° | 122.8° |
| C9 | C7 | C6 | H6 | 164.5° | 117.5° |
| C9 | C7 | H71C | H72C | 122.7° | 122.2° |
| C7 | C6 | O3 | H6 | 127.4° | 122.3° |
| C7 | C6 | C5 | H5 | 86.4° | 146.0° |
| C6 | C7 | C9 | H91C | 84.6° | 95.3° |
| C6 | C7 | C9 | H92C | 157.4° | 141.9° |
| C6 | C7 | H71C | H72C | 122.7° | 122.2° |
| C7 | C6 | O3 | HD | 146.0° | 64.6° |
| O3 | C6 | C5 | H5 | 160.6° | 95.2° |
| O3 | C6 | C7 | H71C | 43.6° | 1.3° |
| O3 | C6 | C7 | H72C | 161.2° | 121.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H2 | N2 | C2 | HA | 13.5° | 145.6° |
| HA | C2 | C3 | H3 | 144.7° | 179.2° |
| HA | C2 | C1 | H11C | 42.5° | 59.0° |
| HA | C2 | C1 | H12C | 78.9° | 178.0° |
| H3 | C3 | O4 | H4 | 102.6° | 59.6° |
| H3 | C3 | C4 | HB | 179.4° | 179.6° |
| HB | C4 | O2 | HC | 155.6° | 59.6° |
| HB | C4 | C5 | H5 | 167.5° | 169.6° |
| H5 | C5 | C6 | H6 | 40.6° | 27.1° |
| H91C | C9 | C7 | H71C | 35.4° | 23.6° |
| H91C | C9 | C7 | H72C | 153.0° | 145.8° |
| H92C | C9 | C7 | H71C | 82.6° | 99.2° |
| H92C | C9 | C7 | H72C | 35.0° | 23.0° |
| H6 | C6 | C7 | H71C | 75.5° | 123.6° |
| H6 | C6 | C7 | H72C | 42.1° | 1.4° |
| H6 | C6 | O3 | HD | 18.6° | 57.7° |
