BGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6' | O2' | sing | 1.43Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| N2 | C2 | sing | 1.37Å | 1.47Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C2' | C3' | sing | 1.54Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| C4' | O4' | sing | 1.44Å | 1.41Å | |
| C4' | C3' | sing | 1.54Å | 1.48Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C2 | N1 | sing | 1.36Å | 1.33Å | |
| C4 | N9 | sing | 1.38Å | 1.32Å | |
| C4 | C5 | doub | 1.39Å | 1.47Å | |
| N9 | C8 | sing | 1.47Å | 1.45Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| N1 | C6 | sing | 1.35Å | 1.33Å | |
| O5' | P | sing | 1.61Å | 1.59Å | |
| C8 | N7 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | sing | 1.40Å | 1.48Å | |
| C5 | N7 | sing | 1.41Å | 1.35Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| N7 | C71 | sing | 1.35Å | 1.38Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| C71 | O71 | doub | 1.21Å | 1.21Å | |
| C71 | C72 | sing | 1.51Å | 1.49Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| OP2 | H13 | sing | 0.97Å | 0.95Å | |
| C72 | H14 | sing | 1.09Å | 1.10Å | |
| C72 | H15 | sing | 1.09Å | 1.10Å | |
| C72 | H16 | sing | 1.09Å | 1.10Å | |
| C6' | H17 | sing | 1.09Å | 1.10Å | |
| C6' | H18 | sing | 1.09Å | 1.10Å | |
| C6' | H19 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| OP3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6' | O2' | C2' | 112.2° | 114.0° |
| O2' | C6' | H17 | 109.5° | 109.5° |
| O2' | C6' | H18 | 109.5° | 109.5° |
| O2' | C6' | H19 | 109.5° | 109.5° |
| O2' | C2' | C1' | 111.2° | 110.5° |
| O2' | C2' | C3' | 108.1° | 110.5° |
| O2' | C2' | H2 | 113.0° | 110.5° |
| N2 | C2 | N3 | 116.9° | 119.2° |
| N2 | C2 | N1 | 119.4° | 119.2° |
| C2 | N2 | H9 | 120.0° | 120.0° |
| C2 | N2 | H10 | 120.0° | 120.0° |
| C1' | C2' | C3' | 100.6° | 104.1° |
| C2' | C1' | O4' | 104.8° | 104.8° |
| C2' | C1' | N9 | 109.9° | 110.4° |
| C2' | C1' | H1 | 109.3° | 110.5° |
| C1' | C2' | H2 | 111.5° | 110.5° |
| C2' | C3' | O3' | 116.9° | 110.5° |
| C2' | C3' | C4' | 102.1° | 104.1° |
| C3' | C2' | H2 | 111.7° | 110.6° |
| C2' | C3' | H3 | 108.3° | 110.5° |
| O4' | C1' | N9 | 112.5° | 110.3° |
| C1' | O4' | C4' | 111.0° | 105.2° |
| O4' | C1' | H1 | 110.5° | 110.4° |
| C1' | N9 | C4 | 127.3° | 126.1° |
| C1' | N9 | C8 | 116.0° | 126.1° |
| N9 | C1' | H1 | 109.6° | 110.3° |
| C2 | N3 | C4 | 120.2° | 121.3° |
| N3 | C2 | N1 | 123.7° | 121.6° |
| N3 | C4 | N9 | 134.8° | 130.6° |
| N3 | C4 | C5 | 119.3° | 119.3° |
| O3' | C3' | C4' | 111.1° | 110.6° |
| O3' | C3' | H3 | 109.5° | 110.4° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| O4' | C4' | C3' | 101.0° | 104.8° |
| O4' | C4' | C5' | 109.9° | 110.4° |
| O4' | C4' | H4 | 113.8° | 110.3° |
| C3' | C4' | C5' | 106.5° | 110.4° |
| C4' | C3' | H3 | 108.5° | 110.5° |
| C3' | C4' | H4 | 112.6° | 110.4° |
| C4' | C5' | O5' | 107.1° | 109.5° |
| C5' | C4' | H4 | 112.3° | 110.4° |
| C4' | C5' | H5 | 110.1° | 109.5° |
| C4' | C5' | H6 | 110.0° | 109.5° |
| C2 | N1 | C6 | 123.5° | 120.0° |
| C2 | N1 | H8 | 118.2° | 120.0° |
| N9 | C4 | C5 | 106.0° | 110.1° |
| C4 | N9 | C8 | 116.7° | 107.8° |
| C4 | C5 | C6 | 117.3° | 118.9° |
| C4 | C5 | N7 | 103.6° | 109.8° |
| N9 | C8 | N7 | 96.3° | 105.6° |
| N9 | C8 | H7 | 112.7° | 110.2° |
| N9 | C8 | H20 | 112.7° | 110.3° |
| C5' | O5' | P | 123.0° | 123.0° |
| O5' | C5' | H5 | 110.1° | 109.5° |
| O5' | C5' | H6 | 110.1° | 109.5° |
| N1 | C6 | C5 | 115.9° | 118.8° |
| N1 | C6 | O6 | 118.5° | 120.6° |
| C6 | N1 | H8 | 118.2° | 120.0° |
| O5' | P | OP1 | 109.9° | 109.5° |
| O5' | P | OP2 | 112.1° | 109.5° |
| O5' | P | OP3 | 103.2° | 109.5° |
| C8 | N7 | C5 | 117.5° | 106.7° |
| C8 | N7 | C71 | 112.7° | 126.7° |
| N7 | C8 | H7 | 112.7° | 110.3° |
| N7 | C8 | H20 | 112.6° | 110.2° |
| C6 | C5 | N7 | 139.0° | 131.3° |
| C5 | C6 | O6 | 125.6° | 120.6° |
| C5 | N7 | C71 | 129.8° | 126.6° |
| N7 | C71 | O71 | 116.1° | 120.0° |
| N7 | C71 | C72 | 126.1° | 120.0° |
| OP1 | P | OP2 | 110.0° | 109.5° |
| OP1 | P | OP3 | 110.2° | 109.4° |
| P | OP2 | H13 | 109.5° | 114.0° |
| OP2 | P | OP3 | 111.2° | 109.5° |
| O71 | C71 | C72 | 117.8° | 120.0° |
| C71 | C72 | H14 | 109.5° | 109.4° |
| C71 | C72 | H15 | 109.5° | 109.4° |
| C71 | C72 | H16 | 109.4° | 109.4° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H7 | C8 | H20 | 109.5° | 110.2° |
| H9 | N2 | H10 | 120.0° | 120.0° |
| H14 | C72 | H15 | 109.5° | 109.5° |
| H14 | C72 | H16 | 109.5° | 109.5° |
| H15 | C72 | H16 | 109.5° | 109.5° |
| H17 | C6' | H18 | 109.4° | 109.5° |
| H17 | C6' | H19 | 109.5° | 109.5° |
| H18 | C6' | H19 | 109.5° | 109.4° |
| P | OP3 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6' | O2' | C2' | C1' | 109.6° | 150.0° |
| C6' | O2' | C2' | C3' | 140.8° | 95.3° |
| C6' | O2' | C2' | H2 | 16.7° | 27.4° |
| O2' | C6' | H17 | H18 | 120.0° | 120.1° |
| O2' | C6' | H17 | H19 | 120.0° | 120.0° |
| O2' | C6' | H18 | H19 | 120.0° | 120.0° |
| O2' | C2' | C1' | C3' | 114.3° | 118.7° |
| O2' | C2' | C1' | H2 | 127.1° | 122.6° |
| O2' | C2' | C3' | H2 | 124.9° | 122.7° |
| O2' | C2' | C1' | O4' | 89.8° | 142.7° |
| O2' | C2' | C1' | N9 | 149.0° | 98.5° |
| O2' | C2' | C3' | O3' | 46.6° | 0.1° |
| O2' | C2' | C3' | C4' | 74.8° | 118.7° |
| O2' | C2' | C1' | H1 | 28.7° | 23.8° |
| O2' | C2' | C3' | H3 | 170.8° | 122.7° |
| C2' | O2' | C6' | H17 | 180.0° | 60.0° |
| C2' | O2' | C6' | H18 | 60.0° | 60.0° |
| C2' | O2' | C6' | H19 | 60.0° | 180.0° |
| N2 | C2 | N3 | N1 | 179.9° | 179.7° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| N2 | C2 | N1 | C6 | 179.5° | 180.0° |
| N2 | C2 | N1 | H8 | 0.5° | 0.1° |
| C2 | N2 | H9 | H10 | 180.0° | 179.9° |
| C1' | C2' | C3' | H2 | 118.4° | 118.7° |
| C2' | C1' | O4' | N9 | 119.5° | 118.8° |
| C2' | C1' | O4' | H1 | 117.6° | 119.0° |
| C2' | C1' | N9 | H1 | 120.2° | 122.4° |
| C1' | C2' | C3' | O3' | 163.3° | 118.7° |
| C2' | C1' | O4' | C4' | 2.5° | 40.5° |
| C1' | C2' | C3' | C4' | 41.9° | 0.0° |
| C2' | C1' | N9 | C4 | 66.2° | 61.7° |
| C2' | C1' | N9 | C8 | 113.8° | 118.2° |
| C1' | C2' | C3' | H3 | 72.5° | 118.7° |
| C3' | C2' | C1' | O4' | 24.6° | 24.0° |
| C3' | C2' | C1' | N9 | 96.6° | 142.8° |
| C2' | C3' | O3' | C4' | 116.6° | 114.7° |
| C2' | C3' | O3' | H3 | 123.6° | 122.6° |
| C2' | C3' | C4' | O4' | 43.6° | 24.0° |
| C2' | C3' | C4' | H3 | 114.2° | 118.7° |
| C2' | C3' | C4' | C5' | 158.4° | 142.8° |
| C3' | C2' | C1' | H1 | 143.0° | 94.9° |
| C2' | C3' | C4' | H4 | 78.1° | 94.8° |
| C2' | C3' | O3' | H11 | 180.0° | 179.9° |
| O4' | C1' | N9 | H1 | 123.4° | 122.2° |
| C1' | O4' | C4' | C3' | 28.9° | 40.5° |
| C1' | O4' | C4' | C5' | 141.1° | 159.3° |
| O4' | C1' | N9 | C4 | 177.4° | 53.6° |
| O4' | C1' | N9 | C8 | 2.7° | 126.5° |
| O4' | C1' | C2' | H2 | 143.1° | 94.7° |
| C1' | O4' | C4' | H4 | 92.0° | 78.3° |
| C1' | N9 | C4 | N3 | 0.3° | 0.1° |
| N9 | C1' | O4' | C4' | 122.0° | 159.3° |
| C1' | N9 | C4 | C8 | 180.0° | 179.9° |
| C1' | N9 | C4 | C5 | 179.4° | 179.9° |
| C1' | N9 | C8 | N7 | 179.9° | 179.9° |
| N9 | C1' | C2' | H2 | 21.9° | 24.1° |
| C1' | N9 | C8 | H7 | 62.3° | 61.0° |
| C1' | N9 | C8 | H20 | 62.2° | 60.8° |
| C2 | N3 | C4 | N9 | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N3 | C2 | N1 | C6 | 0.6° | 0.3° |
| N3 | C2 | N1 | H8 | 179.4° | 179.8° |
| N3 | C2 | N2 | H9 | 0.0° | 179.7° |
| N3 | C2 | N2 | H10 | 180.0° | 0.3° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| N3 | C4 | N9 | C5 | 179.7° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.3° |
| N3 | C4 | C5 | N7 | 179.4° | 180.0° |
| O3' | C3' | C4' | O4' | 169.0° | 142.7° |
| O3' | C3' | C4' | H3 | 120.4° | 122.6° |
| O3' | C3' | C4' | C5' | 76.2° | 98.5° |
| O3' | C3' | C2' | H2 | 78.3° | 122.6° |
| O3' | C3' | C4' | H4 | 47.3° | 23.9° |
| O4' | C4' | C3' | C5' | 114.8° | 118.8° |
| O4' | C4' | C3' | H4 | 121.7° | 118.8° |
| O4' | C4' | C5' | H4 | 127.7° | 122.3° |
| O4' | C4' | C5' | O5' | 35.8° | 66.4° |
| C4' | O4' | C1' | H1 | 115.1° | 78.5° |
| O4' | C4' | C3' | H3 | 70.6° | 94.7° |
| O4' | C4' | C5' | H5 | 155.5° | 173.6° |
| O4' | C4' | C5' | H6 | 83.8° | 53.6° |
| C3' | C4' | C5' | H4 | 123.7° | 122.3° |
| C3' | C4' | C5' | O5' | 144.5° | 178.2° |
| C4' | C3' | C2' | H2 | 160.2° | 118.7° |
| C3' | C4' | C5' | H5 | 95.9° | 58.2° |
| C3' | C4' | C5' | H6 | 24.8° | 61.8° |
| C4' | C3' | O3' | H11 | 63.3° | 65.3° |
| C4' | C5' | O5' | H5 | 119.6° | 120.0° |
| C4' | C5' | O5' | H6 | 119.6° | 120.0° |
| C4' | C5' | O5' | P | 138.5° | 180.0° |
| C5' | C4' | C3' | H3 | 44.2° | 24.1° |
| C4' | C5' | H5 | H6 | 121.1° | 120.0° |
| C2 | N1 | C6 | H8 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.4° | 0.6° |
| C2 | N1 | C6 | O6 | 179.6° | 180.0° |
| N1 | C2 | N2 | H9 | 179.9° | 0.1° |
| N1 | C2 | N2 | H10 | 0.2° | 180.0° |
| C4 | N9 | C8 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.5° | 179.7° |
| N9 | C4 | C5 | N7 | 0.9° | 0.0° |
| C4 | N9 | C1' | H1 | 54.0° | 175.8° |
| C4 | N9 | C8 | H7 | 117.7° | 119.1° |
| C4 | N9 | C8 | H20 | 117.8° | 119.1° |
| C5 | C4 | N9 | C8 | 0.6° | 0.0° |
| C4 | C5 | C6 | N1 | 1.4° | 0.6° |
| C4 | C5 | N7 | C8 | 0.9° | 0.0° |
| C4 | C5 | C6 | N7 | 178.0° | 179.6° |
| C4 | C5 | C6 | O6 | 179.4° | 180.0° |
| C4 | C5 | N7 | C71 | 178.7° | 180.0° |
| N9 | C8 | N7 | H7 | 117.8° | 119.0° |
| N9 | C8 | N7 | H20 | 117.8° | 119.1° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| N9 | C8 | N7 | C71 | 178.7° | 180.0° |
| C8 | N9 | C1' | H1 | 126.1° | 4.3° |
| N9 | C8 | H7 | H20 | 126.2° | 121.9° |
| C5' | O5' | P | OP1 | 66.8° | 55.0° |
| C5' | O5' | P | OP2 | 55.8° | 65.0° |
| O5' | C5' | C4' | H4 | 91.9° | 55.8° |
| O5' | C5' | H5 | H6 | 121.1° | 120.0° |
| C5' | O5' | P | OP3 | 175.6° | 175.0° |
| N1 | C6 | C5 | O6 | 178.0° | 179.4° |
| N1 | C6 | C5 | N7 | 179.4° | 179.8° |
| O5' | P | OP1 | OP2 | 123.9° | 120.1° |
| O5' | P | OP1 | OP3 | 113.1° | 120.0° |
| O5' | P | OP2 | OP3 | 115.0° | 120.0° |
| P | O5' | C5' | H5 | 101.9° | 60.0° |
| P | O5' | C5' | H6 | 18.9° | 60.0° |
| O5' | P | OP2 | H13 | 122.6° | 60.0° |
| O5' | P | OP3 | H12 | 117.3° | 180.0° |
| C8 | N7 | C5 | C6 | 179.1° | 179.7° |
| C8 | N7 | C5 | C71 | 177.7° | 179.9° |
| C8 | N7 | C71 | O71 | 40.8° | 174.8° |
| C8 | N7 | C71 | C72 | 137.7° | 5.2° |
| N7 | C8 | H7 | H20 | 126.2° | 121.9° |
| C6 | C5 | N7 | C71 | 3.2° | 0.4° |
| C5 | C6 | N1 | H8 | 178.6° | 179.5° |
| N7 | C5 | C6 | O6 | 2.6° | 0.4° |
| C5 | N7 | C71 | O71 | 137.0° | 5.1° |
| C5 | N7 | C71 | C72 | 44.5° | 174.9° |
| C5 | N7 | C8 | H7 | 118.4° | 119.0° |
| C5 | N7 | C8 | H20 | 117.2° | 119.2° |
| O6 | C6 | N1 | H8 | 0.5° | 0.1° |
| N7 | C71 | O71 | C72 | 178.7° | 180.0° |
| C71 | N7 | C8 | H7 | 63.5° | 60.9° |
| N7 | C71 | C72 | H14 | 178.5° | 5.0° |
| N7 | C71 | C72 | H15 | 61.5° | 125.0° |
| N7 | C71 | C72 | H16 | 58.5° | 115.0° |
| C71 | N7 | C8 | H20 | 60.9° | 60.9° |
| OP1 | P | OP2 | OP3 | 122.3° | 120.0° |
| OP1 | P | OP2 | H13 | 0.0° | 180.0° |
| OP1 | P | OP3 | H12 | 0.0° | 60.0° |
| OP2 | P | OP3 | H12 | 122.3° | 60.0° |
| O71 | C71 | C72 | H14 | 0.0° | 175.0° |
| O71 | C71 | C72 | H15 | 120.0° | 55.0° |
| O71 | C71 | C72 | H16 | 120.0° | 65.0° |
| C71 | C72 | H14 | H15 | 120.0° | 119.9° |
| C71 | C72 | H14 | H16 | 120.0° | 120.0° |
| C71 | C72 | H15 | H16 | 120.0° | 120.0° |
| H1 | C1' | C2' | H2 | 98.5° | 146.4° |
| H2 | C2' | C3' | H3 | 45.9° | 0.0° |
| H3 | C3' | C4' | H4 | 167.7° | 146.5° |
| H3 | C3' | O3' | H11 | 56.5° | 57.4° |
| H4 | C4' | C5' | H5 | 27.8° | 64.2° |
| H4 | C4' | C5' | H6 | 148.5° | 175.8° |
| H13 | OP2 | P | OP3 | 122.3° | 60.0° |
| H14 | C72 | H15 | H16 | 120.0° | 120.1° |
| H17 | C6' | H18 | H19 | 120.0° | 120.0° |
