LPI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2' | C2 | sing | 1.51Å | 1.51Å | |
| C2 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.33Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| O8 | C7 | doub | 1.21Å | 1.25Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C4' | sing | 1.51Å | 1.50Å | |
| C5 | C5' | sing | 1.51Å | 1.51Å | |
| C7 | O9 | sing | 1.34Å | 1.25Å | |
| C7 | C1 | sing | 1.51Å | 1.52Å | |
| N3 | C4' | sing | 1.47Å | 1.48Å | |
| N3 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C5' | OP4 | sing | 1.43Å | 1.42Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| OP4 | P | sing | 1.61Å | 1.61Å | |
| C9 | S10 | sing | 1.81Å | 1.76Å | |
| C11 | S10 | sing | 1.81Å | 1.76Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| P | OP3 | sing | 1.61Å | 1.51Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| OP3 | H1 | sing | 0.97Å | 0.95Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C4' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| O9 | H20 | sing | 0.97Å | 0.95Å | |
| N3 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C2 | N1 | 120.0° | 119.7° |
| C2' | C2 | C3 | 119.8° | 119.6° |
| C2 | C2' | H6 | 109.5° | 109.4° |
| C2 | C2' | H7 | 109.5° | 109.4° |
| C2 | C2' | H8 | 109.5° | 109.5° |
| N1 | C2 | C3 | 120.2° | 120.7° |
| C2 | N1 | C6 | 120.3° | 121.8° |
| C2 | C3 | O3 | 118.9° | 120.5° |
| C2 | C3 | C4 | 121.3° | 119.1° |
| N1 | C6 | C5 | 121.5° | 120.9° |
| N1 | C6 | H5 | 119.2° | 119.5° |
| O3 | C3 | C4 | 119.8° | 120.4° |
| C3 | O3 | H9 | 109.5° | 114.0° |
| C3 | C4 | C5 | 116.9° | 118.4° |
| C3 | C4 | C4' | 117.4° | 120.9° |
| O8 | C7 | O9 | 120.5° | 120.0° |
| O8 | C7 | C1 | 119.5° | 120.1° |
| C6 | C5 | C4 | 119.8° | 119.2° |
| C6 | C5 | C5' | 116.2° | 120.3° |
| C5 | C6 | H5 | 119.2° | 119.6° |
| C5 | C4 | C4' | 125.7° | 120.8° |
| C4 | C5 | C5' | 124.0° | 120.4° |
| C4 | C4' | N3 | 110.1° | 109.5° |
| C4 | C4' | H10 | 109.3° | 109.5° |
| C4 | C4' | H11 | 109.3° | 109.5° |
| C5 | C5' | OP4 | 112.8° | 109.5° |
| C5 | C5' | H3 | 108.6° | 109.4° |
| C5 | C5' | H4 | 108.6° | 109.5° |
| O9 | C7 | C1 | 119.9° | 119.9° |
| C7 | O9 | H20 | 109.5° | 117.0° |
| C7 | C1 | N3 | 109.7° | 109.4° |
| C7 | C1 | C8 | 114.0° | 109.5° |
| C7 | C1 | H12 | 107.9° | 109.5° |
| C4' | N3 | C1 | 115.0° | 111.0° |
| N3 | C4' | H10 | 109.3° | 109.5° |
| N3 | C4' | H11 | 109.3° | 109.5° |
| C4' | N3 | H21 | 108.1° | 111.0° |
| N3 | C1 | C8 | 109.3° | 109.5° |
| N3 | C1 | H12 | 108.2° | 109.4° |
| C1 | N3 | H21 | 108.1° | 111.0° |
| C1 | C8 | C9 | 114.5° | 109.5° |
| C8 | C1 | H12 | 107.6° | 109.5° |
| C1 | C8 | H13 | 108.2° | 109.5° |
| C1 | C8 | H14 | 108.2° | 109.5° |
| C5' | OP4 | P | 117.0° | 123.0° |
| OP4 | C5' | H3 | 108.7° | 109.4° |
| OP4 | C5' | H4 | 108.6° | 109.5° |
| C8 | C9 | S10 | 112.1° | 109.5° |
| C9 | C8 | H13 | 108.2° | 109.4° |
| C9 | C8 | H14 | 108.2° | 109.4° |
| C8 | C9 | H15 | 108.8° | 109.5° |
| C8 | C9 | H16 | 108.8° | 109.5° |
| OP4 | P | OP1 | 108.4° | 109.5° |
| OP4 | P | OP3 | 107.3° | 109.5° |
| OP4 | P | OP2 | 109.6° | 109.5° |
| C9 | S10 | C11 | 107.9° | 103.0° |
| S10 | C9 | H15 | 108.8° | 109.5° |
| S10 | C9 | H16 | 108.8° | 109.5° |
| S10 | C11 | H17 | 109.5° | 109.4° |
| S10 | C11 | H18 | 109.5° | 109.5° |
| S10 | C11 | H19 | 109.5° | 109.5° |
| OP1 | P | OP3 | 111.3° | 109.5° |
| OP1 | P | OP2 | 110.1° | 109.4° |
| OP3 | P | OP2 | 110.1° | 109.5° |
| P | OP3 | H1 | 109.5° | 114.0° |
| P | OP2 | H2 | 109.5° | 114.0° |
| H3 | C5' | H4 | 109.5° | 109.4° |
| H6 | C2' | H7 | 109.5° | 109.5° |
| H6 | C2' | H8 | 109.5° | 109.5° |
| H7 | C2' | H8 | 109.4° | 109.5° |
| H10 | C4' | H11 | 109.4° | 109.4° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H15 | C9 | H16 | 109.5° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.4° |
| H17 | C11 | H19 | 109.4° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C2 | N1 | C3 | 180.0° | 180.0° |
| C2' | C2 | N1 | C6 | 180.0° | 180.0° |
| C2' | C2 | C3 | O3 | 0.2° | 0.0° |
| C2' | C2 | C3 | C4 | 179.8° | 179.8° |
| C2 | C2' | H6 | H7 | 120.0° | 120.0° |
| C2 | C2' | H6 | H8 | 120.0° | 120.0° |
| C2 | C2' | H7 | H8 | 120.0° | 120.0° |
| N1 | C2 | C3 | O3 | 179.9° | 180.0° |
| N1 | C2 | C3 | C4 | 0.2° | 0.2° |
| C2 | N1 | C6 | C5 | 0.4° | 0.0° |
| C2 | N1 | C6 | H5 | 179.6° | 180.0° |
| N1 | C2 | C2' | H6 | 0.0° | 90.0° |
| N1 | C2 | C2' | H7 | 120.0° | 150.0° |
| N1 | C2 | C2' | H8 | 120.0° | 30.0° |
| C3 | C2 | N1 | C6 | 0.0° | 0.0° |
| C2 | C3 | O3 | C4 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C2 | C3 | C4 | C4' | 178.5° | 180.0° |
| C3 | C2 | C2' | H6 | 179.9° | 90.0° |
| C3 | C2 | C2' | H7 | 59.9° | 30.0° |
| C3 | C2 | C2' | H8 | 60.0° | 150.0° |
| C2 | C3 | O3 | H9 | 180.0° | 90.0° |
| N1 | C6 | C5 | H5 | 180.0° | 179.9° |
| N1 | C6 | C5 | C4 | 0.7° | 0.2° |
| N1 | C6 | C5 | C5' | 179.2° | 179.9° |
| O3 | C3 | C4 | C5 | 179.9° | 179.8° |
| O3 | C3 | C4 | C4' | 1.4° | 0.2° |
| C3 | C4 | C5 | C6 | 0.5° | 0.4° |
| C3 | C4 | C5 | C4' | 178.3° | 179.6° |
| C3 | C4 | C5 | C5' | 178.9° | 179.8° |
| C3 | C4 | C4' | N3 | 62.8° | 90.0° |
| C4 | C3 | O3 | H9 | 0.0° | 89.8° |
| C3 | C4 | C4' | H10 | 57.3° | 150.0° |
| C3 | C4 | C4' | H11 | 177.1° | 30.0° |
| O8 | C7 | O9 | C1 | 178.7° | 180.0° |
| O8 | C7 | C1 | N3 | 16.3° | 0.0° |
| O8 | C7 | C1 | C8 | 106.6° | 120.0° |
| O8 | C7 | C1 | H12 | 134.0° | 120.0° |
| O8 | C7 | O9 | H20 | 0.0° | 0.1° |
| C6 | C5 | C4 | C5' | 178.4° | 179.8° |
| C6 | C5 | C4 | C4' | 178.8° | 180.0° |
| C6 | C5 | C5' | OP4 | 91.8° | 0.1° |
| C6 | C5 | C5' | H3 | 28.7° | 120.1° |
| C6 | C5 | C5' | H4 | 147.7° | 120.0° |
| C5 | C4 | C4' | N3 | 118.9° | 90.4° |
| C4 | C5 | C5' | OP4 | 89.7° | 179.7° |
| C4 | C5 | C5' | H3 | 149.8° | 59.8° |
| C4 | C5 | C5' | H4 | 30.8° | 60.2° |
| C4 | C5 | C6 | H5 | 179.3° | 179.8° |
| C5 | C4 | C4' | H10 | 121.0° | 29.6° |
| C5 | C4 | C4' | H11 | 1.2° | 149.6° |
| C4' | C4 | C5 | C5' | 2.8° | 0.1° |
| C4 | C4' | N3 | H10 | 120.1° | 120.0° |
| C4 | C4' | N3 | H11 | 120.1° | 120.0° |
| C4 | C4' | N3 | C1 | 176.9° | 180.0° |
| C4 | C4' | H10 | H11 | 119.7° | 120.0° |
| C4 | C4' | N3 | H21 | 62.3° | 56.0° |
| C5 | C5' | OP4 | H3 | 120.5° | 120.0° |
| C5 | C5' | OP4 | H4 | 120.5° | 120.1° |
| C5 | C5' | OP4 | P | 147.8° | 180.0° |
| C5 | C5' | H3 | H4 | 118.5° | 120.0° |
| C5' | C5 | C6 | H5 | 0.8° | 0.0° |
| O9 | C7 | C1 | N3 | 162.4° | 180.0° |
| O9 | C7 | C1 | C8 | 74.7° | 60.0° |
| O9 | C7 | C1 | H12 | 44.7° | 60.0° |
| C7 | C1 | N3 | C4' | 149.2° | 85.0° |
| C7 | C1 | N3 | C8 | 125.6° | 120.0° |
| C7 | C1 | N3 | H12 | 117.5° | 120.0° |
| C7 | C1 | C8 | H12 | 119.6° | 120.1° |
| C7 | C1 | C8 | C9 | 15.5° | 175.0° |
| C7 | C1 | C8 | H13 | 136.2° | 65.0° |
| C7 | C1 | C8 | H14 | 105.3° | 55.0° |
| C1 | C7 | O9 | H20 | 178.7° | 179.9° |
| C7 | C1 | N3 | H21 | 90.0° | 151.0° |
| C4' | N3 | C1 | H21 | 120.8° | 124.0° |
| C4' | N3 | C1 | C8 | 85.2° | 155.0° |
| N3 | C4' | H10 | H11 | 119.7° | 120.0° |
| C4' | N3 | C1 | H12 | 31.7° | 35.0° |
| N3 | C1 | C8 | H12 | 117.3° | 120.0° |
| N3 | C1 | C8 | C9 | 138.6° | 65.0° |
| C1 | N3 | C4' | H10 | 56.8° | 60.0° |
| C1 | N3 | C4' | H11 | 63.0° | 60.0° |
| N3 | C1 | C8 | H13 | 100.7° | 55.0° |
| N3 | C1 | C8 | H14 | 17.8° | 175.0° |
| C1 | C8 | C9 | H13 | 120.7° | 120.1° |
| C1 | C8 | C9 | H14 | 120.7° | 120.0° |
| C1 | C8 | C9 | S10 | 149.7° | 180.0° |
| C1 | C8 | H13 | H14 | 117.7° | 120.0° |
| C1 | C8 | C9 | H15 | 29.3° | 60.0° |
| C1 | C8 | C9 | H16 | 89.9° | 60.0° |
| C8 | C1 | N3 | H21 | 35.6° | 31.0° |
| C5' | OP4 | P | OP1 | 45.7° | 54.9° |
| C5' | OP4 | P | OP3 | 166.0° | 174.9° |
| C5' | OP4 | P | OP2 | 74.4° | 65.0° |
| OP4 | C5' | H3 | H4 | 118.5° | 120.0° |
| C8 | C9 | S10 | H15 | 120.4° | 120.0° |
| C8 | C9 | S10 | H16 | 120.4° | 120.0° |
| C8 | C9 | S10 | C11 | 160.6° | 180.0° |
| C9 | C8 | C1 | H12 | 104.1° | 55.0° |
| C9 | C8 | H13 | H14 | 117.7° | 119.9° |
| C8 | C9 | H15 | H16 | 118.8° | 120.0° |
| OP4 | P | OP1 | OP3 | 117.8° | 120.0° |
| OP4 | P | OP1 | OP2 | 119.8° | 120.0° |
| OP4 | P | OP3 | OP2 | 119.2° | 120.0° |
| OP4 | P | OP3 | H1 | 118.4° | 179.9° |
| OP4 | P | OP2 | H2 | 119.1° | 60.0° |
| P | OP4 | C5' | H3 | 91.7° | 60.0° |
| P | OP4 | C5' | H4 | 27.3° | 59.9° |
| S10 | C9 | C8 | H13 | 89.6° | 60.0° |
| S10 | C9 | C8 | H14 | 29.0° | 60.0° |
| S10 | C9 | H15 | H16 | 118.8° | 119.9° |
| C9 | S10 | C11 | H17 | 180.0° | 180.0° |
| C9 | S10 | C11 | H18 | 60.0° | 60.0° |
| C9 | S10 | C11 | H19 | 60.0° | 60.1° |
| C11 | S10 | C9 | H15 | 40.2° | 60.0° |
| C11 | S10 | C9 | H16 | 79.0° | 59.9° |
| S10 | C11 | H17 | H18 | 120.0° | 120.0° |
| S10 | C11 | H17 | H19 | 120.0° | 120.0° |
| S10 | C11 | H18 | H19 | 120.0° | 120.1° |
| OP1 | P | OP3 | OP2 | 122.4° | 120.0° |
| OP1 | P | OP3 | H1 | 0.0° | 60.1° |
| OP1 | P | OP2 | H2 | 0.0° | 180.0° |
| OP3 | P | OP2 | H2 | 123.1° | 60.0° |
| OP2 | P | OP3 | H1 | 122.4° | 59.9° |
| H6 | C2' | H7 | H8 | 120.0° | 120.0° |
| H10 | C4' | N3 | H21 | 177.6° | 176.0° |
| H11 | C4' | N3 | H21 | 57.8° | 64.0° |
| H12 | C1 | C8 | H13 | 16.6° | 174.9° |
| H12 | C1 | C8 | H14 | 135.1° | 65.0° |
| H12 | C1 | N3 | H21 | 152.5° | 89.0° |
| H13 | C8 | C9 | H15 | 150.0° | 180.0° |
| H13 | C8 | C9 | H16 | 30.8° | 60.0° |
| H14 | C8 | C9 | H15 | 91.5° | 60.1° |
| H14 | C8 | C9 | H16 | 149.4° | 180.0° |
| H17 | C11 | H18 | H19 | 120.0° | 120.0° |
