BGM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| P | O5' | sing | 1.61Å | 1.58Å | |
| P | OP3 | sing | 1.61Å | 61.28Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N9 | sing | 1.47Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N9 | C8 | sing | 1.37Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | BR | sing | 1.89Å | 57.00Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C4 | N3 | sing | 1.34Å | 1.35Å | |
| N3 | C2 | doub | 1.31Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | O6 | doub | 1.22Å | 1.26Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 117.5° | 109.5° |
| OP1 | P | O5' | 107.1° | 109.4° |
| OP1 | P | OP3 | 126.9° | 109.5° |
| OP2 | P | O5' | 111.9° | 109.5° |
| OP2 | P | OP3 | 53.9° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| O5' | P | OP3 | 58.5° | 109.5° |
| P | O5' | C5' | 118.3° | 123.0° |
| P | OP3 | HOP3 | 90.0° | 114.0° |
| O5' | C5' | C4' | 105.4° | 109.4° |
| O5' | C5' | H5' | 110.5° | 109.5° |
| O5' | C5' | H5'' | 110.5° | 109.5° |
| C4' | C5' | H5' | 110.5° | 109.4° |
| C4' | C5' | H5'' | 110.5° | 109.5° |
| C5' | C4' | O4' | 109.2° | 110.6° |
| C5' | C4' | C3' | 117.6° | 110.6° |
| C5' | C4' | H4' | 107.8° | 110.6° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| O4' | C4' | C3' | 105.7° | 103.5° |
| O4' | C4' | H4' | 108.7° | 110.7° |
| C4' | O4' | C1' | 110.1° | 107.0° |
| C3' | C4' | H4' | 107.6° | 110.7° |
| C4' | C3' | C2' | 103.2° | 102.1° |
| C4' | C3' | O3' | 109.2° | 110.9° |
| C4' | C3' | H3' | 109.8° | 110.9° |
| O4' | C1' | N9 | 106.0° | 109.9° |
| O4' | C1' | C2' | 104.5° | 107.3° |
| O4' | C1' | H1' | 110.4° | 109.9° |
| N9 | C1' | C2' | 116.0° | 109.9° |
| N9 | C1' | H1' | 110.2° | 109.9° |
| C1' | N9 | C8 | 131.2° | 126.2° |
| C1' | N9 | C4 | 124.0° | 126.3° |
| C2' | C1' | H1' | 109.4° | 110.0° |
| C1' | C2' | C3' | 100.6° | 104.2° |
| C1' | C2' | H2' | 111.6° | 110.5° |
| C1' | C2' | H2'' | 111.6° | 110.5° |
| C8 | N9 | C4 | 104.8° | 107.5° |
| N9 | C8 | N7 | 114.8° | 109.8° |
| N9 | C8 | BR | 92.4° | 125.1° |
| N9 | C4 | C5 | 106.2° | 106.1° |
| N9 | C4 | N3 | 125.8° | 134.2° |
| N7 | C8 | BR | 75.7° | 125.1° |
| C8 | N7 | C5 | 102.7° | 109.3° |
| N7 | C5 | C4 | 111.5° | 107.3° |
| N7 | C5 | C6 | 130.0° | 134.1° |
| C4 | C5 | C6 | 118.5° | 118.6° |
| C5 | C4 | N3 | 128.0° | 119.7° |
| C5 | C6 | N1 | 113.3° | 118.3° |
| C5 | C6 | O6 | 127.5° | 120.9° |
| C4 | N3 | C2 | 112.5° | 121.1° |
| N3 | C2 | N2 | 118.4° | 119.0° |
| N3 | C2 | N1 | 124.4° | 121.9° |
| N2 | C2 | N1 | 117.2° | 119.1° |
| C2 | N2 | H21 | 120.0° | 120.0° |
| C2 | N2 | H22 | 120.0° | 120.0° |
| C2 | N1 | C6 | 123.3° | 120.3° |
| C2 | N1 | H1 | 118.3° | 119.8° |
| H21 | N2 | H22 | 120.0° | 120.0° |
| C6 | N1 | H1 | 118.3° | 119.9° |
| N1 | C6 | O6 | 119.3° | 120.8° |
| C3' | C2' | H2' | 111.6° | 110.5° |
| C3' | C2' | H2'' | 111.7° | 110.5° |
| C2' | C3' | O3' | 113.6° | 110.9° |
| C2' | C3' | H3' | 109.6° | 110.9° |
| H2' | C2' | H2'' | 109.5° | 110.5° |
| O3' | C3' | H3' | 111.1° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 124.6° | 119.9° |
| OP1 | P | OP2 | OP3 | 117.3° | 120.0° |
| OP1 | P | O5' | OP3 | 123.3° | 120.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 179.9° |
| OP1 | P | O5' | C5' | 167.2° | 55.0° |
| OP1 | P | OP3 | HOP3 | 90.0° | 60.1° |
| OP2 | P | O5' | OP3 | 6.9° | 120.1° |
| OP2 | P | O5' | C5' | 62.6° | 64.9° |
| OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
| O5' | P | OP2 | HOP2 | 124.6° | 60.0° |
| P | O5' | C5' | C4' | 179.3° | 180.0° |
| P | O5' | C5' | H5' | 61.4° | 60.0° |
| P | O5' | C5' | H5'' | 59.9° | 60.1° |
| O5' | P | OP3 | HOP3 | 90.0° | 180.0° |
| OP3 | P | OP2 | HOP2 | 117.3° | 60.0° |
| OP3 | P | O5' | C5' | 69.5° | 175.0° |
| O5' | C5' | C4' | H5' | 119.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 119.4° | 120.0° |
| O5' | C5' | H5' | H5'' | 121.9° | 120.1° |
| O5' | C5' | C4' | O4' | 159.8° | 66.5° |
| O5' | C5' | C4' | C3' | 79.8° | 179.5° |
| O5' | C5' | C4' | H4' | 41.9° | 56.5° |
| C4' | C5' | H5' | H5'' | 121.9° | 120.0° |
| C5' | C4' | O4' | C3' | 127.4° | 118.5° |
| C5' | C4' | O4' | H4' | 117.3° | 122.9° |
| C5' | C4' | C3' | H4' | 121.8° | 122.9° |
| C5' | C4' | O4' | C1' | 129.5° | 158.5° |
| C5' | C4' | C3' | C2' | 99.9° | 155.5° |
| C5' | C4' | C3' | O3' | 139.0° | 86.3° |
| C5' | C4' | C3' | H3' | 16.9° | 37.3° |
| H5' | C5' | C4' | O4' | 40.5° | 53.5° |
| H5' | C5' | C4' | C3' | 160.8° | 60.5° |
| H5' | C5' | C4' | H4' | 77.5° | 176.5° |
| H5'' | C5' | C4' | O4' | 80.8° | 173.5° |
| H5'' | C5' | C4' | C3' | 39.6° | 59.5° |
| H5'' | C5' | C4' | H4' | 161.3° | 63.5° |
| O4' | C4' | C3' | H4' | 116.0° | 118.6° |
| C4' | O4' | C1' | N9 | 149.2° | 145.9° |
| C4' | O4' | C1' | C2' | 26.1° | 26.5° |
| C4' | O4' | C1' | H1' | 91.4° | 93.0° |
| O4' | C4' | C3' | C2' | 22.2° | 37.0° |
| O4' | C4' | C3' | O3' | 98.8° | 155.3° |
| O4' | C4' | C3' | H3' | 139.1° | 81.2° |
| C3' | C4' | O4' | C1' | 2.1° | 40.1° |
| C4' | C3' | C2' | C1' | 36.6° | 20.9° |
| C4' | C3' | C2' | O3' | 118.1° | 118.2° |
| C4' | C3' | C2' | H3' | 116.9° | 118.2° |
| C4' | C3' | C2' | H2' | 155.2° | 97.8° |
| C4' | C3' | C2' | H2'' | 81.9° | 139.6° |
| C4' | C3' | O3' | H3' | 121.3° | 123.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
| H4' | C4' | O4' | C1' | 113.2° | 78.5° |
| H4' | C4' | C3' | C2' | 138.3° | 81.6° |
| H4' | C4' | C3' | O3' | 17.2° | 36.7° |
| H4' | C4' | C3' | H3' | 104.9° | 160.2° |
| O4' | C1' | N9 | C2' | 115.5° | 117.8° |
| O4' | C1' | N9 | H1' | 119.5° | 121.1° |
| O4' | C1' | C2' | H1' | 118.3° | 119.5° |
| O4' | C1' | N9 | C8 | 60.6° | 43.5° |
| O4' | C1' | N9 | C4 | 116.1° | 136.7° |
| O4' | C1' | C2' | C3' | 38.4° | 2.0° |
| O4' | C1' | C2' | H2' | 157.0° | 120.7° |
| O4' | C1' | C2' | H2'' | 80.1° | 116.7° |
| N9 | C1' | C2' | H1' | 125.4° | 121.0° |
| C1' | N9 | C8 | C4 | 177.2° | 179.8° |
| C1' | N9 | C8 | N7 | 177.4° | 180.0° |
| C1' | N9 | C8 | BR | 107.3° | 0.0° |
| C1' | N9 | C4 | C5 | 177.7° | 179.9° |
| C1' | N9 | C4 | N3 | 1.7° | 0.1° |
| N9 | C1' | C2' | C3' | 154.8° | 121.5° |
| N9 | C1' | C2' | H2' | 86.7° | 119.9° |
| N9 | C1' | C2' | H2'' | 36.2° | 2.8° |
| C2' | C1' | N9 | C8 | 54.9° | 74.3° |
| C2' | C1' | N9 | C4 | 128.3° | 105.5° |
| C1' | C2' | C3' | H2' | 118.5° | 118.7° |
| C1' | C2' | C3' | H2'' | 118.6° | 118.7° |
| C1' | C2' | H2' | H2'' | 124.1° | 122.6° |
| C1' | C2' | C3' | O3' | 81.5° | 139.1° |
| C1' | C2' | C3' | H3' | 153.6° | 97.3° |
| H1' | C1' | N9 | C8 | 179.9° | 164.6° |
| H1' | C1' | N9 | C4 | 3.4° | 15.6° |
| H1' | C1' | C2' | C3' | 79.8° | 117.5° |
| H1' | C1' | C2' | H2' | 38.7° | 1.2° |
| H1' | C1' | C2' | H2'' | 161.6° | 123.8° |
| N9 | C8 | N7 | BR | 86.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.3° | 0.3° |
| C8 | N9 | C4 | N3 | 179.2° | 179.7° |
| C4 | N9 | C8 | N7 | 0.2° | 0.2° |
| C4 | N9 | C8 | BR | 75.5° | 179.8° |
| N9 | C4 | C5 | N7 | 0.3° | 0.3° |
| N9 | C4 | C5 | N3 | 179.4° | 179.9° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| C8 | N7 | C5 | C6 | 179.3° | 180.0° |
| BR | C8 | N7 | C5 | 86.0° | 180.0° |
| N7 | C5 | C4 | C6 | 179.2° | 179.8° |
| N7 | C5 | C4 | N3 | 179.1° | 179.7° |
| N7 | C5 | C6 | N1 | 179.3° | 179.3° |
| N7 | C5 | C6 | O6 | 0.9° | 0.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.1° |
| C4 | C5 | C6 | N1 | 0.3° | 0.5° |
| C4 | C5 | C6 | O6 | 180.0° | 179.8° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C5 | C6 | N1 | C2 | 0.3° | 0.6° |
| C5 | C6 | N1 | O6 | 179.8° | 179.3° |
| C5 | C6 | N1 | H1 | 179.7° | 179.8° |
| C4 | N3 | C2 | N2 | 178.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.5° | 0.0° |
| N3 | C2 | N2 | N1 | 178.6° | 179.9° |
| N3 | C2 | N2 | H21 | 0.0° | 0.1° |
| N3 | C2 | N2 | H22 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.3° |
| N3 | C2 | N1 | H1 | 179.9° | 180.0° |
| C2 | N2 | H21 | H22 | 180.0° | 179.9° |
| N2 | C2 | N1 | C6 | 178.6° | 179.6° |
| N2 | C2 | N1 | H1 | 1.4° | 0.0° |
| N1 | C2 | N2 | H21 | 178.5° | 179.9° |
| N1 | C2 | N2 | H22 | 1.5° | 0.1° |
| C2 | N1 | C6 | H1 | 180.0° | 179.6° |
| C2 | N1 | C6 | O6 | 180.0° | 179.9° |
| H1 | N1 | C6 | O6 | 0.0° | 0.5° |
| C3' | C2' | H2' | H2'' | 124.1° | 122.6° |
| C2' | C3' | O3' | H3' | 124.2° | 123.6° |
| C2' | C3' | O3' | HO3' | 65.5° | 67.3° |
| H2' | C2' | C3' | O3' | 37.1° | 20.4° |
| H2' | C2' | C3' | H3' | 87.9° | 144.0° |
| H2'' | C2' | C3' | O3' | 160.0° | 102.2° |
| H2'' | C2' | C3' | H3' | 35.0° | 21.4° |
| H3' | C3' | O3' | HO3' | 58.7° | 56.4° |
