LSH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7' | S | doub | 1.42Å | 1.43Å | |
| O8' | S | doub | 1.42Å | 1.45Å | |
| C6' | S | sing | 1.82Å | 1.69Å | |
| C6' | C4' | sing | 1.54Å | 1.54Å | |
| S | N2' | sing | 1.67Å | 1.62Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| C4' | O4' | sing | 1.43Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| N2' | C2' | sing | 1.48Å | 1.47Å | |
| O4' | C1' | sing | 1.45Å | 1.44Å | |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.65Å | |
| C3' | C2' | sing | 1.54Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.47Å | |
| C2' | C1' | sing | 1.55Å | 1.49Å | |
| C1' | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.37Å | 1.35Å | |
| N1 | C2 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | doub | 1.35Å | 1.38Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C5 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | sing | 1.42Å | 1.39Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| C4 | O4 | doub | 1.22Å | 1.26Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C6' | H5 | sing | 1.09Å | 1.10Å | |
| C6' | H6 | sing | 1.09Å | 1.10Å | |
| N2' | H7 | sing | 0.97Å | 1.00Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| N3 | H10 | sing | 0.97Å | 1.00Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C3' | H15 | sing | 1.09Å | 1.10Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7' | S | O8' | 115.2° | 121.3° |
| O7' | S | C6' | 111.2° | 110.7° |
| O7' | S | N2' | 108.2° | 104.6° |
| O8' | S | C6' | 108.0° | 110.7° |
| O8' | S | N2' | 109.0° | 104.5° |
| S | C6' | C4' | 112.8° | 108.4° |
| C6' | S | N2' | 104.7° | 103.1° |
| S | C6' | H5 | 108.6° | 109.6° |
| S | C6' | H6 | 108.7° | 109.7° |
| C6' | C4' | C5' | 109.3° | 111.3° |
| C6' | C4' | O4' | 110.5° | 108.8° |
| C6' | C4' | C3' | 109.8° | 108.4° |
| C4' | C6' | H5 | 108.6° | 109.7° |
| C4' | C6' | H6 | 108.6° | 109.7° |
| S | N2' | C2' | 120.0° | 116.5° |
| S | N2' | H7 | 106.8° | 121.7° |
| C4' | C5' | O5' | 107.8° | 109.5° |
| C5' | C4' | O4' | 109.7° | 111.3° |
| C5' | C4' | C3' | 114.5° | 111.4° |
| C4' | C5' | H3 | 109.9° | 109.5° |
| C4' | C5' | H4 | 109.9° | 109.4° |
| C5' | O5' | P | 119.6° | 123.0° |
| O5' | C5' | H3 | 109.9° | 109.4° |
| O5' | C5' | H4 | 109.9° | 109.4° |
| O4' | C4' | C3' | 102.8° | 105.4° |
| C4' | O4' | C1' | 107.5° | 109.1° |
| C4' | C3' | O3' | 111.3° | 111.0° |
| C4' | C3' | C2' | 101.0° | 101.8° |
| C4' | C3' | H15 | 109.7° | 111.1° |
| N2' | C2' | C3' | 111.2° | 107.0° |
| N2' | C2' | C1' | 110.0° | 106.4° |
| C2' | N2' | H7 | 106.8° | 121.8° |
| N2' | C2' | H8 | 112.5° | 113.4° |
| O4' | C1' | C2' | 108.1° | 107.8° |
| O4' | C1' | N1 | 109.2° | 109.7° |
| O4' | C1' | H9 | 106.5° | 109.9° |
| OP1 | P | O5' | 111.1° | 109.5° |
| OP1 | P | OP2 | 121.7° | 109.5° |
| OP1 | P | OP3 | 103.3° | 109.5° |
| O3' | C3' | C2' | 113.5° | 109.5° |
| O3' | C3' | H15 | 111.1° | 110.9° |
| C3' | O3' | H16 | 109.5° | 114.0° |
| O5' | P | OP2 | 108.1° | 109.5° |
| O5' | P | OP3 | 101.9° | 109.5° |
| C3' | C2' | C1' | 98.3° | 101.5° |
| C3' | C2' | H8 | 111.9° | 114.1° |
| C2' | C3' | H15 | 109.8° | 112.2° |
| P | OP2 | H2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 108.8° | 109.5° |
| C2' | C1' | N1 | 120.2° | 109.8° |
| C1' | C2' | H8 | 112.2° | 113.5° |
| C2' | C1' | H9 | 105.9° | 109.8° |
| C1' | N1 | C6 | 119.9° | 119.7° |
| C1' | N1 | C2 | 118.6° | 119.7° |
| N1 | C1' | H9 | 106.2° | 109.8° |
| C6 | N1 | C2 | 121.0° | 120.7° |
| N1 | C6 | C5 | 121.5° | 119.7° |
| N1 | C6 | H14 | 119.2° | 120.2° |
| N1 | C2 | O2 | 121.1° | 119.5° |
| N1 | C2 | N3 | 117.8° | 120.9° |
| C6 | C5 | C7 | 121.2° | 120.4° |
| C6 | C5 | C4 | 118.0° | 119.1° |
| C5 | C6 | H14 | 119.2° | 120.1° |
| O2 | C2 | N3 | 121.1° | 119.6° |
| C2 | N3 | C4 | 123.4° | 120.3° |
| C2 | N3 | H10 | 118.3° | 119.9° |
| C7 | C5 | C4 | 120.7° | 120.4° |
| C5 | C7 | H11 | 109.5° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C5 | C4 | N3 | 118.2° | 119.4° |
| C5 | C4 | O4 | 122.3° | 120.3° |
| N3 | C4 | O4 | 119.4° | 120.3° |
| C4 | N3 | H10 | 118.3° | 119.9° |
| H3 | C5' | H4 | 109.4° | 109.5° |
| H5 | C6' | H6 | 109.5° | 109.7° |
| H11 | C7 | H12 | 109.5° | 109.4° |
| H11 | C7 | H13 | 109.5° | 109.4° |
| H12 | C7 | H13 | 109.5° | 109.5° |
| P | OP3 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7' | S | O8' | C6' | 124.9° | 132.3° |
| O7' | S | O8' | N2' | 121.8° | 117.4° |
| O7' | S | C6' | N2' | 116.6° | 111.3° |
| O7' | S | C6' | C4' | 153.0° | 155.0° |
| O7' | S | N2' | C2' | 153.3° | 161.6° |
| O7' | S | C6' | H5 | 86.6° | 35.3° |
| O7' | S | C6' | H6 | 32.5° | 85.2° |
| O7' | S | N2' | H7 | 31.8° | 18.3° |
| O8' | S | C6' | N2' | 116.0° | 111.2° |
| O8' | S | C6' | C4' | 79.7° | 67.6° |
| O8' | S | N2' | C2' | 80.7° | 70.0° |
| O8' | S | C6' | H5 | 40.8° | 172.7° |
| O8' | S | C6' | H6 | 159.8° | 52.2° |
| O8' | S | N2' | H7 | 157.8° | 110.1° |
| S | C6' | C4' | H5 | 120.5° | 119.7° |
| S | C6' | C4' | H6 | 120.5° | 119.7° |
| S | C6' | C4' | C5' | 172.3° | 172.9° |
| S | C6' | C4' | O4' | 51.4° | 49.9° |
| S | C6' | C4' | C3' | 61.3° | 64.2° |
| C6' | S | N2' | C2' | 34.6° | 45.8° |
| S | C6' | H5 | H6 | 118.5° | 120.5° |
| C6' | S | N2' | H7 | 86.8° | 134.1° |
| C4' | C6' | S | N2' | 36.3° | 43.7° |
| C6' | C4' | C5' | O4' | 121.3° | 121.5° |
| C6' | C4' | C5' | C3' | 123.7° | 121.1° |
| C6' | C4' | C5' | O5' | 172.2° | 55.1° |
| C6' | C4' | O4' | C3' | 117.2° | 116.1° |
| C6' | C4' | O4' | C1' | 95.1° | 93.1° |
| C6' | C4' | C3' | O3' | 45.9° | 36.9° |
| C6' | C4' | C3' | C2' | 74.9° | 79.6° |
| C6' | C4' | C5' | H3 | 52.4° | 175.1° |
| C6' | C4' | C5' | H4 | 68.1° | 64.9° |
| C4' | C6' | H5 | H6 | 118.5° | 120.6° |
| C6' | C4' | C3' | H15 | 169.2° | 160.8° |
| S | N2' | C2' | H7 | 121.5° | 179.9° |
| S | N2' | C2' | C3' | 55.3° | 64.8° |
| S | N2' | C2' | C1' | 52.5° | 43.1° |
| N2' | S | C6' | H5 | 156.8° | 76.0° |
| N2' | S | C6' | H6 | 84.2° | 163.5° |
| S | N2' | C2' | H8 | 178.3° | 168.5° |
| C4' | C5' | O5' | H3 | 119.8° | 120.0° |
| C4' | C5' | O5' | H4 | 119.8° | 119.9° |
| C5' | C4' | O4' | C3' | 122.2° | 120.9° |
| C5' | C4' | O4' | C1' | 144.3° | 143.9° |
| C5' | C4' | C3' | O3' | 77.5° | 86.0° |
| C4' | C5' | O5' | P | 172.1° | 179.9° |
| C5' | C4' | C3' | C2' | 161.7° | 157.6° |
| C4' | C5' | H3 | H4 | 120.8° | 120.0° |
| C5' | C4' | C6' | H5 | 51.8° | 67.4° |
| C5' | C4' | C6' | H6 | 67.2° | 53.2° |
| C5' | C4' | C3' | H15 | 45.8° | 38.0° |
| O5' | C5' | C4' | O4' | 50.8° | 66.5° |
| O5' | C5' | C4' | C3' | 64.2° | 176.2° |
| C5' | O5' | P | OP1 | 46.8° | 55.0° |
| C5' | O5' | P | OP2 | 177.2° | 65.0° |
| O5' | C5' | H3 | H4 | 120.7° | 120.0° |
| C5' | O5' | P | OP3 | 62.6° | 175.0° |
| O4' | C4' | C3' | O3' | 163.5° | 153.2° |
| O4' | C4' | C3' | C2' | 42.7° | 36.7° |
| C4' | O4' | C1' | C2' | 7.2° | 0.2° |
| C4' | O4' | C1' | N1 | 125.1° | 119.3° |
| O4' | C4' | C5' | H3 | 68.9° | 53.5° |
| O4' | C4' | C5' | H4 | 170.6° | 173.6° |
| O4' | C4' | C6' | H5 | 69.1° | 169.6° |
| O4' | C4' | C6' | H6 | 171.9° | 69.9° |
| C4' | O4' | C1' | H9 | 120.6° | 119.9° |
| O4' | C4' | C3' | H15 | 73.1° | 82.9° |
| C4' | C3' | C2' | N2' | 70.2° | 76.1° |
| C3' | C4' | O4' | C1' | 22.0° | 23.0° |
| C4' | C3' | O3' | C2' | 113.2° | 111.6° |
| C4' | C3' | O3' | H15 | 122.5° | 124.0° |
| C4' | C3' | C2' | H15 | 115.8° | 118.8° |
| C4' | C3' | C2' | C1' | 45.0° | 35.1° |
| C3' | C4' | C5' | H3 | 176.1° | 63.8° |
| C3' | C4' | C5' | H4 | 55.6° | 56.3° |
| C3' | C4' | C6' | H5 | 178.2° | 55.5° |
| C3' | C4' | C6' | H6 | 59.2° | 176.0° |
| C4' | C3' | C2' | H8 | 163.1° | 157.6° |
| C4' | C3' | O3' | H16 | 180.0° | 180.0° |
| N2' | C2' | C1' | O4' | 83.1° | 88.8° |
| N2' | C2' | C3' | O3' | 49.0° | 41.4° |
| N2' | C2' | C3' | C1' | 115.3° | 111.3° |
| N2' | C2' | C3' | H8 | 126.7° | 126.3° |
| N2' | C2' | C1' | H8 | 126.0° | 125.4° |
| N2' | C2' | C1' | N1 | 150.9° | 151.8° |
| N2' | C2' | C1' | H9 | 30.8° | 30.9° |
| N2' | C2' | C3' | H15 | 174.0° | 165.0° |
| O4' | C1' | C2' | C3' | 33.1° | 23.0° |
| O4' | C1' | C2' | N1 | 126.1° | 119.5° |
| O4' | C1' | C2' | H9 | 113.8° | 119.7° |
| O4' | C1' | N1 | H9 | 114.5° | 120.8° |
| O4' | C1' | N1 | C6 | 14.9° | 24.1° |
| O4' | C1' | N1 | C2 | 156.4° | 155.6° |
| O4' | C1' | C2' | H8 | 151.0° | 145.8° |
| OP1 | P | O5' | OP2 | 136.0° | 120.0° |
| OP1 | P | O5' | OP3 | 109.5° | 120.0° |
| OP1 | P | OP2 | OP3 | 119.8° | 120.0° |
| OP1 | P | OP2 | H2 | 0.0° | 180.0° |
| OP1 | P | OP3 | H1 | 0.0° | 60.0° |
| O3' | C3' | C2' | H15 | 125.0° | 123.6° |
| O3' | C3' | C2' | C1' | 164.3° | 152.7° |
| O3' | C3' | C2' | H8 | 77.7° | 84.9° |
| O5' | P | OP2 | OP3 | 109.9° | 120.0° |
| O5' | P | OP2 | H2 | 130.3° | 60.0° |
| P | O5' | C5' | H3 | 52.3° | 60.0° |
| P | O5' | C5' | H4 | 68.2° | 60.0° |
| O5' | P | OP3 | H1 | 115.3° | 179.9° |
| C3' | C2' | C1' | H8 | 117.8° | 122.8° |
| C3' | C2' | C1' | N1 | 93.0° | 96.4° |
| C3' | C2' | N2' | H7 | 66.2° | 115.1° |
| C3' | C2' | C1' | H9 | 147.0° | 142.7° |
| C2' | C3' | O3' | H16 | 66.9° | 68.5° |
| OP2 | P | OP3 | H1 | 130.7° | 60.0° |
| C2' | C1' | N1 | H9 | 119.9° | 120.9° |
| C2' | C1' | N1 | C6 | 110.7° | 94.2° |
| C2' | C1' | N1 | C2 | 78.1° | 86.1° |
| C1' | C2' | N2' | H7 | 174.0° | 137.1° |
| C1' | C2' | C3' | H15 | 70.7° | 83.7° |
| C1' | N1 | C6 | C2 | 171.0° | 179.7° |
| C1' | N1 | C6 | C5 | 171.1° | 179.8° |
| C1' | N1 | C2 | O2 | 10.3° | 0.1° |
| C1' | N1 | C2 | N3 | 171.2° | 180.0° |
| N1 | C1' | C2' | H8 | 24.9° | 26.4° |
| C1' | N1 | C6 | H14 | 8.9° | 0.0° |
| N1 | C6 | C5 | H14 | 180.0° | 179.8° |
| C6 | N1 | C2 | O2 | 178.6° | 179.7° |
| C6 | N1 | C2 | N3 | 0.1° | 0.3° |
| N1 | C6 | C5 | C7 | 179.5° | 179.7° |
| N1 | C6 | C5 | C4 | 1.3° | 0.5° |
| C6 | N1 | C1' | H9 | 129.4° | 144.9° |
| C2 | N1 | C6 | C5 | 0.1° | 0.5° |
| N1 | C2 | O2 | N3 | 178.5° | 180.0° |
| N1 | C2 | N3 | C4 | 1.4° | 0.1° |
| C2 | N1 | C1' | H9 | 41.8° | 34.8° |
| N1 | C2 | N3 | H10 | 178.6° | 180.0° |
| C2 | N1 | C6 | H14 | 179.9° | 179.7° |
| C6 | C5 | C7 | C4 | 178.2° | 179.7° |
| C6 | C5 | C4 | N3 | 2.5° | 0.3° |
| C6 | C5 | C4 | O4 | 177.4° | 179.7° |
| C6 | C5 | C7 | H11 | 180.0° | 179.7° |
| C6 | C5 | C7 | H12 | 60.0° | 59.7° |
| C6 | C5 | C7 | H13 | 60.0° | 60.3° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N3 | H10 | 0.1° | 0.1° |
| C2 | N3 | C4 | C5 | 2.6° | 0.1° |
| C2 | N3 | C4 | H10 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 177.2° | 179.9° |
| C7 | C5 | C4 | N3 | 179.3° | 180.0° |
| C7 | C5 | C4 | O4 | 0.9° | 0.0° |
| C5 | C7 | H11 | H12 | 120.0° | 120.0° |
| C5 | C7 | H11 | H13 | 120.0° | 120.0° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C7 | C5 | C6 | H14 | 0.5° | 0.0° |
| C5 | C4 | N3 | O4 | 179.8° | 180.0° |
| C5 | C4 | N3 | H10 | 177.4° | 180.0° |
| C4 | C5 | C7 | H11 | 1.8° | 0.0° |
| C4 | C5 | C7 | H12 | 118.2° | 120.0° |
| C4 | C5 | C7 | H13 | 121.8° | 120.0° |
| C4 | C5 | C6 | H14 | 178.7° | 179.7° |
| O4 | C4 | N3 | H10 | 2.8° | 0.0° |
| H2 | OP2 | P | OP3 | 119.8° | 60.0° |
| H7 | N2' | C2' | H8 | 60.2° | 11.6° |
| H8 | C2' | C1' | H9 | 95.2° | 94.5° |
| H8 | C2' | C3' | H15 | 47.3° | 38.8° |
| H11 | C7 | H12 | H13 | 120.0° | 119.9° |
| H15 | C3' | O3' | H16 | 57.4° | 55.9° |
