GN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C9 | doub | 1.22Å | 1.23Å | |
| N5 | C9 | sing | 1.35Å | 1.38Å | |
| N5 | C | sing | 1.36Å | 1.37Å | |
| C9 | C2 | sing | 1.42Å | 1.44Å | |
| N | C | sing | 1.37Å | 1.33Å | |
| C | N1 | doub | 1.31Å | 1.33Å | |
| C2 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| N2 | C3 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.35Å | |
| C1 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| O10 | P2 | doub | 1.48Å | 1.45Å | |
| C3 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.46Å | 1.47Å | |
| O13 | P3 | doub | 1.48Å | 1.45Å | |
| P2 | O9 | sing | 1.61Å | 1.58Å | |
| P2 | O8 | sing | 1.61Å | 1.57Å | |
| P2 | N4 | sing | 1.68Å | 1.63Å | |
| O12 | P3 | sing | 1.61Å | 1.59Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C7 | O8 | sing | 1.43Å | 1.44Å | |
| C7 | C5 | sing | 1.54Å | 1.53Å | |
| C8 | C4 | sing | 1.54Å | 1.53Å | |
| C8 | O14 | sing | 1.43Å | 1.42Å | |
| C4 | O | sing | 1.44Å | 1.42Å | |
| P3 | N4 | sing | 1.68Å | 1.63Å | |
| P3 | O11 | sing | 1.61Å | 1.58Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| O | C5 | sing | 1.44Å | 1.45Å | |
| O1 | P | sing | 1.61Å | 1.58Å | |
| P | O4 | sing | 1.61Å | 1.59Å | |
| P | O2 | doub | 1.48Å | 1.53Å | |
| P | O3 | sing | 1.61Å | 1.48Å | |
| O4 | P1 | sing | 1.61Å | 1.59Å | |
| O7 | P1 | doub | 1.48Å | 1.49Å | |
| P1 | O6 | sing | 1.61Å | 1.53Å | |
| P1 | O5 | sing | 1.61Å | 1.53Å | |
| N5 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H3 | sing | 0.97Å | 1.00Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| O14 | H7 | sing | 0.97Å | 0.95Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 1.01Å | 1.00Å | |
| O12 | H10 | sing | 0.97Å | 0.95Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| O9 | H12 | sing | 0.97Å | 0.95Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.09Å | 1.10Å | |
| O3 | H16 | sing | 0.97Å | 0.95Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| O5 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C9 | N5 | 120.6° | 120.9° |
| O15 | C9 | C2 | 127.3° | 120.7° |
| C9 | N5 | C | 124.9° | 120.3° |
| N5 | C9 | C2 | 112.1° | 118.4° |
| C9 | N5 | H1 | 117.5° | 119.8° |
| N5 | C | N | 116.9° | 119.1° |
| N5 | C | N1 | 123.7° | 121.9° |
| C | N5 | H1 | 117.5° | 119.8° |
| C9 | C2 | N2 | 131.2° | 134.2° |
| C9 | C2 | C1 | 118.4° | 118.6° |
| N | C | N1 | 119.5° | 119.0° |
| C | N | H2 | 120.0° | 120.0° |
| C | N | H3 | 120.0° | 120.1° |
| C | N1 | C1 | 113.0° | 121.1° |
| N2 | C2 | C1 | 110.5° | 107.3° |
| C2 | N2 | C3 | 104.3° | 109.3° |
| C2 | C1 | N1 | 128.0° | 119.7° |
| C2 | C1 | N3 | 106.0° | 106.1° |
| N2 | C3 | N3 | 113.3° | 109.8° |
| N2 | C3 | H4 | 123.4° | 125.1° |
| N1 | C1 | N3 | 126.0° | 134.2° |
| C1 | N3 | C3 | 105.9° | 107.5° |
| C1 | N3 | C4 | 126.8° | 126.3° |
| O10 | P2 | O9 | 108.0° | 109.4° |
| O10 | P2 | O8 | 115.3° | 109.5° |
| O10 | P2 | N4 | 111.9° | 109.5° |
| C3 | N3 | C4 | 127.2° | 126.3° |
| N3 | C3 | H4 | 123.4° | 125.1° |
| N3 | C4 | C8 | 113.4° | 110.4° |
| N3 | C4 | O | 108.4° | 110.4° |
| N3 | C4 | H5 | 109.4° | 110.3° |
| O13 | P3 | O12 | 108.2° | 109.4° |
| O13 | P3 | N4 | 119.3° | 109.5° |
| O13 | P3 | O11 | 108.2° | 109.5° |
| O9 | P2 | O8 | 106.6° | 109.5° |
| O9 | P2 | N4 | 109.8° | 109.5° |
| P2 | O9 | H12 | 109.5° | 113.9° |
| O8 | P2 | N4 | 105.1° | 109.5° |
| P2 | O8 | C7 | 135.3° | 123.0° |
| P2 | N4 | P3 | 136.7° | 111.0° |
| P2 | N4 | H9 | 102.3° | 111.0° |
| O12 | P3 | N4 | 106.2° | 109.5° |
| O12 | P3 | O11 | 102.3° | 109.5° |
| P3 | O12 | H10 | 109.5° | 113.9° |
| C8 | C7 | O8 | 113.6° | 110.5° |
| C8 | C7 | C5 | 102.7° | 104.0° |
| C7 | C8 | C4 | 100.3° | 104.1° |
| C7 | C8 | O14 | 110.8° | 110.5° |
| C7 | C8 | H6 | 111.0° | 110.6° |
| C8 | C7 | H8 | 111.3° | 110.5° |
| O8 | C7 | C5 | 104.9° | 110.5° |
| O8 | C7 | H8 | 112.5° | 110.5° |
| C7 | C5 | C6 | 115.0° | 110.4° |
| C7 | C5 | O | 104.8° | 104.8° |
| C5 | C7 | H8 | 111.2° | 110.7° |
| C7 | C5 | H13 | 108.7° | 110.4° |
| C4 | C8 | O14 | 110.6° | 110.5° |
| C8 | C4 | O | 106.8° | 104.8° |
| C8 | C4 | H5 | 108.6° | 110.4° |
| C4 | C8 | H6 | 110.9° | 110.5° |
| O14 | C8 | H6 | 112.6° | 110.5° |
| C8 | O14 | H7 | 109.5° | 114.0° |
| C4 | O | C5 | 110.2° | 105.3° |
| O | C4 | H5 | 110.2° | 110.4° |
| N4 | P3 | O11 | 111.3° | 109.5° |
| P3 | N4 | H9 | 102.3° | 111.0° |
| P3 | O11 | H11 | 109.5° | 114.0° |
| C5 | C6 | O1 | 109.0° | 109.4° |
| C6 | C5 | O | 109.6° | 110.5° |
| C6 | C5 | H13 | 108.9° | 110.4° |
| C5 | C6 | H14 | 109.6° | 109.4° |
| C5 | C6 | H15 | 109.6° | 109.5° |
| C6 | O1 | P | 129.5° | 123.0° |
| O1 | C6 | H14 | 109.6° | 109.4° |
| O1 | C6 | H15 | 109.6° | 109.5° |
| O | C5 | H13 | 109.8° | 110.3° |
| O1 | P | O4 | 105.0° | 109.4° |
| O1 | P | O2 | 106.7° | 109.5° |
| O1 | P | O3 | 111.3° | 109.5° |
| O4 | P | O2 | 107.0° | 109.4° |
| O4 | P | O3 | 111.4° | 109.5° |
| P | O4 | P1 | 132.9° | 134.0° |
| O2 | P | O3 | 114.9° | 109.5° |
| P | O3 | H16 | 109.5° | 114.0° |
| O4 | P1 | O7 | 110.5° | 109.5° |
| O4 | P1 | O6 | 105.9° | 109.4° |
| O4 | P1 | O5 | 106.0° | 109.5° |
| O7 | P1 | O6 | 113.0° | 109.4° |
| O7 | P1 | O5 | 112.9° | 109.5° |
| O6 | P1 | O5 | 107.9° | 109.5° |
| P1 | O6 | H17 | 109.5° | 114.0° |
| P1 | O5 | H18 | 109.5° | 114.0° |
| H2 | N | H3 | 120.0° | 119.9° |
| H14 | C6 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C9 | N5 | C2 | 180.0° | 179.8° |
| O15 | C9 | N5 | C | 179.9° | 180.0° |
| O15 | C9 | C2 | N2 | 0.0° | 0.1° |
| O15 | C9 | C2 | C1 | 179.9° | 180.0° |
| O15 | C9 | N5 | H1 | 0.1° | 0.1° |
| C9 | N5 | C | H1 | 180.0° | 180.0° |
| C9 | N5 | C | N | 180.0° | 180.0° |
| C9 | N5 | C | N1 | 0.0° | 0.1° |
| N5 | C9 | C2 | N2 | 180.0° | 179.7° |
| N5 | C9 | C2 | C1 | 0.1° | 0.2° |
| C | N5 | C9 | C2 | 0.1° | 0.2° |
| N5 | C | N | N1 | 180.0° | 180.0° |
| N5 | C | N1 | C1 | 0.0° | 0.3° |
| N5 | C | N | H2 | 180.0° | 0.0° |
| N5 | C | N | H3 | 0.0° | 180.0° |
| C9 | C2 | N2 | C1 | 179.9° | 179.9° |
| C9 | C2 | N2 | C3 | 179.9° | 180.0° |
| C9 | C2 | C1 | N1 | 0.0° | 0.1° |
| C9 | C2 | C1 | N3 | 180.0° | 180.0° |
| C2 | C9 | N5 | H1 | 179.9° | 179.8° |
| N | C | N1 | C1 | 180.0° | 179.7° |
| N | C | N5 | H1 | 0.0° | 0.0° |
| C | N | H2 | H3 | 180.0° | 179.9° |
| C | N1 | C1 | C2 | 0.0° | 0.3° |
| C | N1 | C1 | N3 | 180.0° | 179.8° |
| N1 | C | N5 | H1 | 180.0° | 180.0° |
| N1 | C | N | H2 | 0.0° | 180.0° |
| N1 | C | N | H3 | 180.0° | 0.0° |
| N2 | C2 | C1 | N1 | 180.0° | 180.0° |
| N2 | C2 | C1 | N3 | 0.0° | 0.1° |
| C2 | N2 | C3 | N3 | 0.0° | 0.0° |
| C2 | N2 | C3 | H4 | 180.0° | 180.0° |
| C1 | C2 | N2 | C3 | 0.0° | 0.1° |
| C2 | C1 | N1 | N3 | 180.0° | 179.9° |
| C2 | C1 | N3 | C3 | 0.0° | 0.1° |
| C2 | C1 | N3 | C4 | 179.9° | 180.0° |
| N2 | C3 | N3 | C1 | 0.0° | 0.0° |
| N2 | C3 | N3 | H4 | 180.0° | 180.0° |
| N2 | C3 | N3 | C4 | 179.9° | 179.9° |
| N1 | C1 | N3 | C3 | 180.0° | 180.0° |
| N1 | C1 | N3 | C4 | 0.1° | 0.1° |
| C1 | N3 | C3 | C4 | 179.9° | 179.9° |
| C1 | N3 | C4 | C8 | 46.4° | 88.1° |
| C1 | N3 | C4 | O | 164.8° | 156.5° |
| C1 | N3 | C3 | H4 | 180.0° | 179.9° |
| C1 | N3 | C4 | H5 | 75.0° | 34.2° |
| O10 | P2 | O9 | O8 | 124.5° | 120.0° |
| O10 | P2 | O9 | N4 | 122.2° | 120.0° |
| O10 | P2 | O8 | N4 | 123.7° | 120.0° |
| O10 | P2 | O8 | C7 | 8.3° | 45.0° |
| O10 | P2 | N4 | P3 | 15.8° | 60.0° |
| O10 | P2 | N4 | H9 | 139.1° | 63.9° |
| O10 | P2 | O9 | H12 | 0.0° | 179.9° |
| C3 | N3 | C4 | C8 | 133.7° | 91.8° |
| C3 | N3 | C4 | O | 15.3° | 23.6° |
| C3 | N3 | C4 | H5 | 104.9° | 145.9° |
| N3 | C4 | C8 | C7 | 86.7° | 142.8° |
| N3 | C4 | C8 | O | 119.3° | 118.8° |
| N3 | C4 | C8 | H5 | 121.9° | 122.3° |
| N3 | C4 | C8 | O14 | 156.2° | 98.5° |
| N3 | C4 | O | H5 | 119.7° | 122.3° |
| N3 | C4 | O | C5 | 108.6° | 159.3° |
| C4 | N3 | C3 | H4 | 0.1° | 0.0° |
| N3 | C4 | C8 | H6 | 30.6° | 24.0° |
| O13 | P3 | N4 | P2 | 33.9° | 59.9° |
| O13 | P3 | O12 | N4 | 129.1° | 120.0° |
| O13 | P3 | O12 | O11 | 114.1° | 120.0° |
| O13 | P3 | N4 | O11 | 127.1° | 120.0° |
| O13 | P3 | N4 | H9 | 89.5° | 176.1° |
| O13 | P3 | O12 | H10 | 0.0° | 180.0° |
| O13 | P3 | O11 | H11 | 0.0° | 60.1° |
| O9 | P2 | O8 | N4 | 116.5° | 120.0° |
| O9 | P2 | O8 | C7 | 111.6° | 165.0° |
| O9 | P2 | N4 | P3 | 135.6° | 60.0° |
| O9 | P2 | N4 | H9 | 101.1° | 176.1° |
| P2 | O8 | C7 | C8 | 105.3° | 121.5° |
| P2 | O8 | C7 | C5 | 143.2° | 123.9° |
| O8 | P2 | N4 | P3 | 110.1° | 180.0° |
| P2 | O8 | C7 | H8 | 22.2° | 1.1° |
| O8 | P2 | N4 | H9 | 13.2° | 56.1° |
| O8 | P2 | O9 | H12 | 124.5° | 60.0° |
| P2 | N4 | P3 | O12 | 88.5° | 60.0° |
| N4 | P2 | O8 | C7 | 131.9° | 75.0° |
| P2 | N4 | P3 | H9 | 123.3° | 123.9° |
| P2 | N4 | P3 | O11 | 160.9° | 180.0° |
| N4 | P2 | O9 | H12 | 122.2° | 60.0° |
| O12 | P3 | N4 | O11 | 110.6° | 120.0° |
| O12 | P3 | N4 | H9 | 148.2° | 64.0° |
| O12 | P3 | O11 | H11 | 114.1° | 59.9° |
| C8 | C7 | O8 | C5 | 111.4° | 114.6° |
| C8 | C7 | O8 | H8 | 127.5° | 122.6° |
| C8 | C7 | C5 | H8 | 119.1° | 118.7° |
| C7 | C8 | C4 | O14 | 117.0° | 118.6° |
| C7 | C8 | C4 | H6 | 117.3° | 118.8° |
| C7 | C8 | O14 | H6 | 125.0° | 122.7° |
| C7 | C8 | C4 | O | 32.6° | 24.0° |
| C8 | C7 | C5 | C6 | 151.6° | 142.9° |
| C8 | C7 | C5 | O | 31.2° | 24.0° |
| C7 | C8 | C4 | H5 | 151.4° | 94.9° |
| C7 | C8 | O14 | H7 | 180.0° | 176.1° |
| C8 | C7 | C5 | H13 | 86.1° | 94.8° |
| O8 | C7 | C5 | H8 | 121.8° | 122.7° |
| O8 | C7 | C8 | C4 | 150.8° | 118.6° |
| O8 | C7 | C8 | O14 | 33.9° | 0.0° |
| O8 | C7 | C5 | C6 | 89.4° | 98.5° |
| O8 | C7 | C5 | O | 150.3° | 142.6° |
| O8 | C7 | C8 | H6 | 91.9° | 122.7° |
| O8 | C7 | C5 | H13 | 33.0° | 23.8° |
| C5 | C7 | C8 | C4 | 38.0° | 0.0° |
| C5 | C7 | C8 | O14 | 78.8° | 118.7° |
| C7 | C5 | O | C4 | 11.0° | 40.5° |
| C7 | C5 | C6 | O | 117.7° | 115.4° |
| C7 | C5 | C6 | H13 | 122.2° | 122.3° |
| C7 | C5 | C6 | O1 | 172.4° | 175.0° |
| C7 | C5 | O | H13 | 116.6° | 118.8° |
| C5 | C7 | C8 | H6 | 155.3° | 118.7° |
| C7 | C5 | C6 | H14 | 67.7° | 55.0° |
| C7 | C5 | C6 | H15 | 52.5° | 65.0° |
| C4 | C8 | O14 | H6 | 124.7° | 122.6° |
| C8 | C4 | O | H5 | 117.8° | 118.9° |
| C8 | C4 | O | C5 | 13.9° | 40.5° |
| C4 | C8 | O14 | H7 | 69.6° | 61.5° |
| C4 | C8 | C7 | H8 | 81.0° | 118.8° |
| O14 | C8 | C4 | O | 84.4° | 142.6° |
| O14 | C8 | C4 | H5 | 34.3° | 23.7° |
| O14 | C8 | C7 | H8 | 162.1° | 122.6° |
| C4 | O | C5 | C6 | 134.8° | 159.4° |
| O | C4 | C8 | H6 | 149.9° | 94.8° |
| C4 | O | C5 | H13 | 105.6° | 78.3° |
| N4 | P3 | O12 | H10 | 129.1° | 60.0° |
| N4 | P3 | O11 | H11 | 132.9° | 179.9° |
| O11 | P3 | N4 | H9 | 37.6° | 56.1° |
| O11 | P3 | O12 | H10 | 114.1° | 60.0° |
| C5 | C6 | O1 | H14 | 119.9° | 119.9° |
| C5 | C6 | O1 | H15 | 119.9° | 120.0° |
| C6 | C5 | O | H13 | 119.6° | 122.3° |
| C5 | C6 | O1 | P | 57.7° | 180.0° |
| C6 | C5 | C7 | H8 | 32.5° | 24.2° |
| C5 | C6 | H14 | H15 | 120.2° | 120.0° |
| O1 | C6 | C5 | O | 54.7° | 69.6° |
| C6 | O1 | P | O4 | 87.5° | 175.0° |
| C6 | O1 | P | O2 | 25.9° | 55.0° |
| C6 | O1 | P | O3 | 152.0° | 65.1° |
| O1 | C6 | C5 | H13 | 65.4° | 52.7° |
| O1 | C6 | H14 | H15 | 120.2° | 120.0° |
| C5 | O | C4 | H5 | 131.7° | 78.4° |
| O | C5 | C7 | H8 | 87.8° | 94.7° |
| O | C5 | C6 | H14 | 174.6° | 170.5° |
| O | C5 | C6 | H15 | 65.2° | 50.4° |
| O1 | P | O4 | O2 | 113.2° | 120.0° |
| O1 | P | O4 | O3 | 120.5° | 120.0° |
| O1 | P | O2 | O3 | 123.9° | 120.1° |
| O1 | P | O4 | P1 | 132.3° | 160.0° |
| P | O1 | C6 | H14 | 62.3° | 60.1° |
| P | O1 | C6 | H15 | 177.6° | 60.0° |
| O1 | P | O3 | H16 | 121.4° | 59.9° |
| O4 | P | O2 | O3 | 124.1° | 120.0° |
| P | O4 | P1 | O7 | 155.2° | 45.1° |
| P | O4 | P1 | O6 | 32.5° | 165.0° |
| P | O4 | P1 | O5 | 82.0° | 75.0° |
| O4 | P | O3 | H16 | 121.8° | 60.0° |
| O2 | P | O4 | P1 | 19.1° | 40.0° |
| O2 | P | O3 | H16 | 0.0° | 180.0° |
| O3 | P | O4 | P1 | 107.1° | 80.0° |
| O4 | P1 | O7 | O6 | 118.5° | 120.0° |
| O4 | P1 | O7 | O5 | 118.6° | 120.1° |
| O4 | P1 | O6 | O5 | 113.2° | 120.0° |
| O4 | P1 | O6 | H17 | 121.2° | 179.9° |
| O4 | P1 | O5 | H18 | 121.2° | 59.9° |
| O7 | P1 | O6 | O5 | 125.6° | 120.0° |
| O7 | P1 | O6 | H17 | 0.0° | 60.1° |
| O7 | P1 | O5 | H18 | 0.0° | 180.0° |
| O6 | P1 | O5 | H18 | 125.6° | 60.1° |
| O5 | P1 | O6 | H17 | 125.6° | 59.9° |
| H5 | C4 | C8 | H6 | 91.3° | 146.3° |
| H6 | C8 | O14 | H7 | 55.0° | 61.1° |
| H6 | C8 | C7 | H8 | 36.2° | 0.1° |
| H8 | C7 | C5 | H13 | 154.8° | 146.5° |
| H13 | C5 | C6 | H14 | 54.5° | 67.2° |
| H13 | C5 | C6 | H15 | 174.7° | 172.7° |
