B9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.49Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.41Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.54Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.57Å | |
| P | OP1 | doub | 1.48Å | 1.49Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| O2' | C21 | sing | 1.43Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| N1 | C6 | sing | 1.39Å | 1.34Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| C6 | C5 | doub | 1.32Å | 1.38Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.41Å | |
| C5 | C4 | sing | 1.51Å | 1.37Å | |
| N3 | C4 | sing | 1.47Å | 1.40Å | |
| N3 | C31 | sing | 1.46Å | 1.47Å | |
| C4 | N4 | sing | 1.47Å | 1.35Å | |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å | |
| OP2 | H22 | sing | 0.97Å | 0.95Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 107.2° | 109.5° |
| OP2 | P | OP1 | 113.1° | 109.5° |
| P | OP2 | H22 | 109.5° | 114.0° |
| OP2 | P | OP3 | 109.8° | 109.5° |
| C4' | C5' | O5' | 106.4° | 109.5° |
| C5' | C4' | O4' | 111.0° | 109.9° |
| C5' | C4' | C3' | 111.5° | 109.9° |
| C5' | C4' | H14 | 110.1° | 110.0° |
| C4' | C5' | H15 | 110.2° | 109.5° |
| C4' | C5' | H16 | 110.2° | 109.5° |
| C5' | O5' | P | 115.1° | 123.0° |
| O5' | C5' | H15 | 110.2° | 109.5° |
| O5' | C5' | H16 | 110.2° | 109.4° |
| O4' | C4' | C3' | 102.4° | 107.3° |
| C4' | O4' | C1' | 108.8° | 107.0° |
| O4' | C4' | H14 | 111.4° | 109.9° |
| C4' | C3' | O3' | 119.1° | 110.5° |
| C4' | C3' | C2' | 97.9° | 104.2° |
| C4' | C3' | H8 | 103.7° | 110.6° |
| C3' | C4' | H14 | 110.1° | 109.8° |
| O5' | P | OP1 | 108.6° | 109.5° |
| O5' | P | OP3 | 103.7° | 109.5° |
| OP1 | P | OP3 | 113.8° | 109.5° |
| O4' | C1' | C2' | 104.6° | 103.5° |
| O4' | C1' | N1 | 112.4° | 110.6° |
| O4' | C1' | H6 | 109.5° | 110.7° |
| C21 | O2' | C2' | 113.5° | 114.0° |
| O2' | C21 | H23 | 109.5° | 109.5° |
| O2' | C21 | H24 | 109.5° | 109.5° |
| O2' | C21 | H25 | 109.5° | 109.5° |
| O2' | C2' | C1' | 107.9° | 110.9° |
| O2' | C2' | C3' | 107.8° | 110.9° |
| O2' | C2' | H7 | 114.4° | 110.8° |
| C2' | C1' | N1 | 113.2° | 110.6° |
| C1' | C2' | C3' | 100.4° | 102.1° |
| C2' | C1' | H6 | 108.1° | 110.6° |
| C1' | C2' | H7 | 112.5° | 111.0° |
| C1' | N1 | C6 | 124.3° | 118.3° |
| C1' | N1 | C2 | 117.2° | 118.3° |
| N1 | C1' | H6 | 108.8° | 110.6° |
| O3' | C3' | C2' | 125.5° | 110.5° |
| O3' | C3' | H8 | 104.3° | 110.5° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| C3' | C2' | H7 | 112.9° | 110.9° |
| C2' | C3' | H8 | 103.8° | 110.5° |
| C6 | N1 | C2 | 118.5° | 123.4° |
| N1 | C6 | C5 | 122.9° | 121.2° |
| N1 | C6 | H3 | 118.5° | 119.4° |
| N1 | C2 | O2 | 117.8° | 119.1° |
| N1 | C2 | N3 | 120.3° | 121.8° |
| C6 | C5 | C4 | 119.8° | 118.1° |
| C6 | C5 | H2 | 120.1° | 121.0° |
| C5 | C6 | H3 | 118.5° | 119.4° |
| O2 | C2 | N3 | 121.8° | 119.1° |
| C2 | N3 | C4 | 119.1° | 118.3° |
| C2 | N3 | C31 | 122.4° | 120.8° |
| C5 | C4 | N3 | 119.3° | 117.2° |
| C5 | C4 | N4 | 119.8° | 107.9° |
| C5 | C4 | H1 | 90.1° | 107.9° |
| C4 | C5 | H2 | 120.1° | 120.9° |
| C4 | N3 | C31 | 118.5° | 120.9° |
| N3 | C4 | N4 | 120.9° | 107.9° |
| N3 | C4 | H1 | 90.1° | 107.9° |
| N3 | C31 | C32 | 115.6° | 109.4° |
| N3 | C31 | H9 | 107.9° | 109.5° |
| N3 | C31 | H10 | 107.9° | 109.4° |
| N4 | C4 | H1 | 90.1° | 107.7° |
| C4 | N4 | H17 | 109.5° | 111.1° |
| C4 | N4 | H18 | 109.5° | 111.0° |
| C31 | C32 | C33 | 112.8° | 109.5° |
| C31 | C32 | H4 | 108.6° | 109.5° |
| C31 | C32 | H5 | 108.6° | 109.5° |
| C32 | C31 | H9 | 107.9° | 109.5° |
| C32 | C31 | H10 | 107.9° | 109.5° |
| C33 | C32 | H4 | 108.6° | 109.4° |
| C33 | C32 | H5 | 108.6° | 109.4° |
| C32 | C33 | H11 | 109.5° | 109.5° |
| C32 | C33 | H12 | 109.5° | 109.5° |
| C32 | C33 | H13 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.5° | 109.5° |
| H11 | C33 | H12 | 109.5° | 109.5° |
| H11 | C33 | H13 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.4° |
| H15 | C5' | H16 | 109.5° | 109.4° |
| H17 | N4 | H18 | 109.5° | 111.0° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H23 | C21 | H25 | 109.5° | 109.5° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| P | OP3 | H19 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | C5' | 55.0° | 175.0° |
| OP2 | P | O5' | OP1 | 122.5° | 120.0° |
| OP2 | P | O5' | OP3 | 116.2° | 120.0° |
| OP2 | P | OP1 | OP3 | 126.3° | 120.0° |
| OP2 | P | OP3 | H19 | 128.0° | 60.0° |
| C4' | C5' | O5' | H15 | 119.5° | 120.0° |
| C4' | C5' | O5' | H16 | 119.5° | 120.0° |
| C5' | C4' | O4' | C3' | 119.2° | 119.4° |
| C5' | C4' | O4' | H14 | 123.1° | 121.2° |
| C5' | C4' | C3' | H14 | 122.6° | 121.1° |
| C4' | C5' | O5' | P | 161.2° | 180.0° |
| C5' | C4' | O4' | C1' | 149.9° | 145.9° |
| C5' | C4' | C3' | O3' | 54.8° | 119.9° |
| C5' | C4' | C3' | C2' | 166.8° | 121.4° |
| C5' | C4' | C3' | H8 | 60.4° | 2.7° |
| C4' | C5' | H15 | H16 | 121.4° | 120.0° |
| O5' | C5' | C4' | O4' | 68.6° | 66.5° |
| O5' | C5' | C4' | C3' | 45.0° | 175.7° |
| C5' | O5' | P | OP1 | 177.5° | 55.0° |
| O5' | C5' | C4' | H14 | 167.6° | 54.7° |
| O5' | C5' | H15 | H16 | 121.4° | 120.0° |
| C5' | O5' | P | OP3 | 61.1° | 65.0° |
| O4' | C4' | C3' | H14 | 118.6° | 119.5° |
| C4' | O4' | C1' | C2' | 0.4° | 40.1° |
| C4' | O4' | C1' | N1 | 123.7° | 158.6° |
| O4' | C4' | C3' | O3' | 173.6° | 120.7° |
| O4' | C4' | C3' | C2' | 48.0° | 2.0° |
| C4' | O4' | C1' | H6 | 115.3° | 78.5° |
| O4' | C4' | C3' | H8 | 58.4° | 116.7° |
| O4' | C4' | C5' | H15 | 50.9° | 173.5° |
| O4' | C4' | C5' | H16 | 171.9° | 53.5° |
| C3' | C4' | O4' | C1' | 30.7° | 26.5° |
| C4' | C3' | C2' | O2' | 66.3° | 139.1° |
| C4' | C3' | C2' | C1' | 46.5° | 20.9° |
| C4' | C3' | O3' | C2' | 126.2° | 114.7° |
| C4' | C3' | O3' | H8 | 115.0° | 122.7° |
| C4' | C3' | C2' | H8 | 106.3° | 118.7° |
| C4' | C3' | C2' | H7 | 166.5° | 97.4° |
| C3' | C4' | C5' | H15 | 164.5° | 55.7° |
| C3' | C4' | C5' | H16 | 74.5° | 64.3° |
| C4' | C3' | O3' | H20 | 180.0° | 65.3° |
| O5' | P | OP1 | OP3 | 114.9° | 120.0° |
| P | O5' | C5' | H15 | 41.6° | 60.0° |
| P | O5' | C5' | H16 | 79.3° | 60.0° |
| O5' | P | OP2 | H22 | 119.6° | 180.0° |
| O5' | P | OP3 | H19 | 117.7° | 60.0° |
| OP1 | P | OP2 | H22 | 0.0° | 60.0° |
| OP1 | P | OP3 | H19 | 0.0° | 180.0° |
| O4' | C1' | C2' | O2' | 82.9° | 155.2° |
| O4' | C1' | C2' | N1 | 122.7° | 118.5° |
| O4' | C1' | C2' | H6 | 116.6° | 118.6° |
| O4' | C1' | N1 | H6 | 121.5° | 123.0° |
| O4' | C1' | C2' | C3' | 29.8° | 37.0° |
| O4' | C1' | N1 | C6 | 25.3° | 49.1° |
| O4' | C1' | N1 | C2 | 154.2° | 130.9° |
| O4' | C1' | C2' | H7 | 150.0° | 81.2° |
| C1' | O4' | C4' | H14 | 87.0° | 92.9° |
| C21 | O2' | C2' | C1' | 92.0° | 150.0° |
| C21 | O2' | C2' | C3' | 160.4° | 97.3° |
| C21 | O2' | C2' | H7 | 34.0° | 26.3° |
| O2' | C21 | H23 | H24 | 120.0° | 120.0° |
| O2' | C21 | H23 | H25 | 120.0° | 120.0° |
| O2' | C21 | H24 | H25 | 120.0° | 120.0° |
| O2' | C2' | C1' | C3' | 112.6° | 118.2° |
| O2' | C2' | C1' | H7 | 127.1° | 123.6° |
| O2' | C2' | C1' | N1 | 154.5° | 86.3° |
| O2' | C2' | C3' | O3' | 68.3° | 20.4° |
| O2' | C2' | C3' | H7 | 127.3° | 123.5° |
| O2' | C2' | C1' | H6 | 33.8° | 36.6° |
| O2' | C2' | C3' | H8 | 172.6° | 102.2° |
| C2' | O2' | C21 | H23 | 180.0° | 180.0° |
| C2' | O2' | C21 | H24 | 60.0° | 60.0° |
| C2' | O2' | C21 | H25 | 60.0° | 60.0° |
| C2' | C1' | N1 | H6 | 120.3° | 122.9° |
| C1' | C2' | C3' | O3' | 179.0° | 97.8° |
| C1' | C2' | C3' | H7 | 120.0° | 118.3° |
| C2' | C1' | N1 | C6 | 92.9° | 64.9° |
| C2' | C1' | N1 | C2 | 87.5° | 115.0° |
| C1' | C2' | C3' | H8 | 59.8° | 139.6° |
| N1 | C1' | C2' | C3' | 92.9° | 155.5° |
| C1' | N1 | C6 | C2 | 179.5° | 180.0° |
| C1' | N1 | C6 | C5 | 178.7° | 180.0° |
| C1' | N1 | C2 | O2 | 0.1° | 0.3° |
| C1' | N1 | C2 | N3 | 179.8° | 180.0° |
| C1' | N1 | C6 | H3 | 1.3° | 0.0° |
| N1 | C1' | C2' | H7 | 27.4° | 37.3° |
| O3' | C3' | C2' | H8 | 119.1° | 122.6° |
| O3' | C3' | C2' | H7 | 59.0° | 144.0° |
| O3' | C3' | C4' | H14 | 67.8° | 1.2° |
| C3' | C2' | C1' | H6 | 146.4° | 81.6° |
| C2' | C3' | C4' | H14 | 70.6° | 117.5° |
| C2' | C3' | O3' | H20 | 53.9° | 180.0° |
| N1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.5° | 179.7° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| N1 | C6 | C5 | C4 | 1.6° | 0.0° |
| N1 | C6 | C5 | H2 | 178.3° | 179.9° |
| C6 | N1 | C1' | H6 | 146.8° | 172.1° |
| C2 | N1 | C6 | C5 | 1.8° | 0.0° |
| N1 | C2 | O2 | N3 | 179.9° | 179.7° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| N1 | C2 | N3 | C31 | 178.7° | 179.9° |
| C2 | N1 | C6 | H3 | 178.2° | 180.0° |
| C2 | N1 | C1' | H6 | 32.8° | 7.9° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | N3 | 0.3° | 0.0° |
| C6 | C5 | C4 | N4 | 179.4° | 121.9° |
| C6 | C5 | C4 | H1 | 90.5° | 121.9° |
| O2 | C2 | N3 | C4 | 179.3° | 179.7° |
| O2 | C2 | N3 | C31 | 1.2° | 0.3° |
| C2 | N3 | C4 | C5 | 0.7° | 0.0° |
| C2 | N3 | C4 | C31 | 178.1° | 179.9° |
| C2 | N3 | C4 | N4 | 179.6° | 122.0° |
| C2 | N3 | C31 | C32 | 68.0° | 90.0° |
| C2 | N3 | C4 | H1 | 89.4° | 121.9° |
| C2 | N3 | C31 | H9 | 171.1° | 30.0° |
| C2 | N3 | C31 | H10 | 52.9° | 150.0° |
| C5 | C4 | N3 | N4 | 179.7° | 122.0° |
| C5 | C4 | N3 | H1 | 90.1° | 121.9° |
| C5 | C4 | N3 | C31 | 178.9° | 179.9° |
| C5 | C4 | N4 | H1 | 90.1° | 116.3° |
| C4 | C5 | C6 | H3 | 178.4° | 180.0° |
| C5 | C4 | N4 | H17 | 180.0° | 56.3° |
| C5 | C4 | N4 | H18 | 60.0° | 179.8° |
| N3 | C4 | N4 | H1 | 90.2° | 116.2° |
| C4 | N3 | C31 | C32 | 114.0° | 90.0° |
| N3 | C4 | C5 | H2 | 179.6° | 179.9° |
| C4 | N3 | C31 | H9 | 6.9° | 150.0° |
| C4 | N3 | C31 | H10 | 125.1° | 29.9° |
| N3 | C4 | N4 | H17 | 0.3° | 176.2° |
| N3 | C4 | N4 | H18 | 119.7° | 52.3° |
| C31 | N3 | C4 | N4 | 1.4° | 58.1° |
| N3 | C31 | C32 | H9 | 120.9° | 120.0° |
| N3 | C31 | C32 | H10 | 120.9° | 119.9° |
| N3 | C31 | C32 | C33 | 162.1° | 180.0° |
| C31 | N3 | C4 | H1 | 88.7° | 58.0° |
| N3 | C31 | C32 | H4 | 77.4° | 60.1° |
| N3 | C31 | C32 | H5 | 41.6° | 60.0° |
| N3 | C31 | H9 | H10 | 117.2° | 120.0° |
| N4 | C4 | C5 | H2 | 0.6° | 58.0° |
| C4 | N4 | H17 | H18 | 120.0° | 124.0° |
| C31 | C32 | C33 | H4 | 120.5° | 120.0° |
| C31 | C32 | C33 | H5 | 120.5° | 120.0° |
| C31 | C32 | H4 | H5 | 118.5° | 120.1° |
| C32 | C31 | H9 | H10 | 117.2° | 120.0° |
| C31 | C32 | C33 | H11 | 180.0° | 179.9° |
| C31 | C32 | C33 | H12 | 60.0° | 60.0° |
| C31 | C32 | C33 | H13 | 60.0° | 59.9° |
| C33 | C32 | H4 | H5 | 118.5° | 119.9° |
| C33 | C32 | C31 | H9 | 41.2° | 60.0° |
| C33 | C32 | C31 | H10 | 77.0° | 60.0° |
| C32 | C33 | H11 | H12 | 120.0° | 120.1° |
| C32 | C33 | H11 | H13 | 120.0° | 120.0° |
| C32 | C33 | H12 | H13 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 89.5° | 58.1° |
| H1 | C4 | N4 | H17 | 89.9° | 60.0° |
| H1 | C4 | N4 | H18 | 150.1° | 64.0° |
| H2 | C5 | C6 | H3 | 1.7° | 0.1° |
| H4 | C32 | C31 | H9 | 161.7° | 60.0° |
| H4 | C32 | C31 | H10 | 43.5° | 180.0° |
| H4 | C32 | C33 | H11 | 59.5° | 59.9° |
| H4 | C32 | C33 | H12 | 179.5° | 180.0° |
| H4 | C32 | C33 | H13 | 60.5° | 60.1° |
| H5 | C32 | C31 | H9 | 79.3° | 180.0° |
| H5 | C32 | C31 | H10 | 162.5° | 60.0° |
| H5 | C32 | C33 | H11 | 59.5° | 60.0° |
| H5 | C32 | C33 | H12 | 60.5° | 60.0° |
| H5 | C32 | C33 | H13 | 179.5° | 180.0° |
| H6 | C1' | C2' | H7 | 93.3° | 160.2° |
| H7 | C2' | C3' | H8 | 60.1° | 21.4° |
| H8 | C3' | C4' | H14 | 177.0° | 123.8° |
| H8 | C3' | O3' | H20 | 65.0° | 57.4° |
| H11 | C33 | H12 | H13 | 120.0° | 119.9° |
| H14 | C4' | C5' | H15 | 72.9° | 65.3° |
| H14 | C4' | C5' | H16 | 48.1° | 174.7° |
| H22 | OP2 | P | OP3 | 128.4° | 60.0° |
| H23 | C21 | H24 | H25 | 120.0° | 120.0° |
