E3C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP2 | P | sing | 1.61Å | 1.51Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | OP1 | doub | 1.48Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| N1 | C2 | sing | 1.34Å | 1.41Å | |
| N1 | C6 | sing | 1.39Å | 1.33Å | |
| C2 | N3 | sing | 1.35Å | 1.41Å | |
| C6 | C5 | doub | 1.32Å | 1.38Å | |
| N3 | C31 | sing | 1.46Å | 1.48Å | |
| N3 | C4 | sing | 1.47Å | 1.42Å | |
| C5 | C4 | sing | 1.51Å | 1.38Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C4 | N4 | sing | 1.47Å | 1.34Å | |
| 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 | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| N4 | H10 | sing | 1.01Å | 1.00Å | |
| N4 | H11 | sing | 1.01Å | 1.00Å | |
| O2' | H13 | sing | 0.97Å | 0.95Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| OP2 | H16 | sing | 0.97Å | 0.95Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | O5' | 108.6° | 109.5° |
| OP2 | P | OP1 | 119.3° | 109.5° |
| P | OP2 | H16 | 109.5° | 114.0° |
| OP2 | P | OP3 | 107.8° | 109.5° |
| C4' | C5' | O5' | 113.3° | 109.5° |
| C5' | C4' | O4' | 111.3° | 109.9° |
| C5' | C4' | C3' | 117.8° | 110.1° |
| C5' | C4' | H5 | 108.0° | 110.0° |
| C4' | C5' | H7 | 108.5° | 109.5° |
| C4' | C5' | H8 | 108.5° | 109.5° |
| C5' | O5' | P | 119.4° | 123.0° |
| O5' | C5' | H7 | 108.5° | 109.5° |
| O5' | C5' | H8 | 108.5° | 109.5° |
| O5' | P | OP1 | 108.5° | 109.5° |
| O5' | P | OP3 | 103.8° | 109.5° |
| OP1 | P | OP3 | 107.7° | 109.5° |
| O4' | C4' | C3' | 102.7° | 107.4° |
| C4' | O4' | C1' | 108.6° | 106.9° |
| O4' | C4' | H5 | 108.8° | 109.9° |
| C4' | C3' | O3' | 114.0° | 110.6° |
| C4' | C3' | C2' | 101.2° | 104.2° |
| C4' | C3' | H3 | 108.7° | 110.5° |
| C3' | C4' | H5 | 107.9° | 109.6° |
| O3' | C3' | C2' | 113.9° | 110.5° |
| O3' | C3' | H3 | 110.0° | 110.4° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| O2' | C2' | C3' | 110.7° | 111.0° |
| O2' | C2' | C1' | 108.4° | 110.9° |
| O2' | C2' | H2 | 113.1° | 110.8° |
| C2' | O2' | H13 | 109.5° | 114.0° |
| O4' | C1' | C2' | 107.6° | 103.6° |
| O4' | C1' | N1 | 111.6° | 110.6° |
| O4' | C1' | H1 | 109.6° | 110.5° |
| C3' | C2' | C1' | 101.0° | 102.1° |
| C3' | C2' | H2 | 111.5° | 110.9° |
| C2' | C3' | H3 | 108.6° | 110.5° |
| C2' | C1' | N1 | 111.0° | 110.7° |
| C2' | C1' | H1 | 108.1° | 110.6° |
| C1' | C2' | H2 | 111.4° | 110.9° |
| C1' | N1 | C2 | 127.3° | 118.3° |
| C1' | N1 | C6 | 112.7° | 118.3° |
| N1 | C1' | H1 | 108.8° | 110.6° |
| O2 | C2 | N1 | 122.6° | 119.1° |
| O2 | C2 | N3 | 117.3° | 119.1° |
| C2 | N1 | C6 | 119.9° | 123.4° |
| N1 | C2 | N3 | 120.1° | 121.8° |
| N1 | C6 | C5 | 121.8° | 121.3° |
| N1 | C6 | H9 | 119.1° | 119.4° |
| C2 | N3 | C31 | 116.5° | 120.9° |
| C2 | N3 | C4 | 117.7° | 118.3° |
| C6 | C5 | C4 | 120.3° | 118.1° |
| C6 | C5 | H6 | 119.8° | 120.9° |
| C5 | C6 | H9 | 119.1° | 119.4° |
| C31 | N3 | C4 | 125.8° | 120.8° |
| N3 | C31 | C32 | 120.5° | 109.4° |
| N3 | C31 | H17 | 106.7° | 109.5° |
| N3 | C31 | H18 | 106.7° | 109.5° |
| N3 | C4 | C5 | 120.1° | 117.2° |
| N3 | C4 | N4 | 124.8° | 107.9° |
| N3 | C4 | H4 | 90.1° | 107.9° |
| C5 | C4 | N4 | 115.1° | 107.9° |
| C5 | C4 | H4 | 90.0° | 107.9° |
| C4 | C5 | H6 | 119.9° | 121.0° |
| C32 | C31 | H17 | 106.6° | 109.4° |
| C32 | C31 | H18 | 106.7° | 109.4° |
| C31 | C32 | H19 | 109.5° | 109.5° |
| C31 | C32 | H20 | 109.5° | 109.5° |
| C31 | C32 | H21 | 109.5° | 109.4° |
| N4 | C4 | H4 | 90.0° | 107.7° |
| C4 | N4 | H10 | 109.5° | 111.0° |
| C4 | N4 | H11 | 109.5° | 111.0° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H10 | N4 | H11 | 109.5° | 111.0° |
| H17 | C31 | H18 | 109.5° | 109.5° |
| H19 | C32 | H20 | 109.5° | 109.5° |
| H19 | C32 | H21 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.4° | 109.4° |
| P | OP3 | H12 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | O5' | C5' | 54.1° | 65.0° |
| OP2 | P | O5' | OP1 | 131.1° | 120.0° |
| OP2 | P | O5' | OP3 | 114.5° | 120.0° |
| OP2 | P | OP1 | OP3 | 123.2° | 120.0° |
| OP2 | P | OP3 | H12 | 129.9° | 60.0° |
| C4' | C5' | O5' | H7 | 120.6° | 120.1° |
| C4' | C5' | O5' | H8 | 120.6° | 120.0° |
| C4' | C5' | O5' | P | 175.9° | 180.0° |
| C5' | C4' | O4' | C3' | 127.0° | 119.7° |
| C5' | C4' | O4' | H5 | 118.9° | 121.1° |
| C5' | C4' | C3' | H5 | 122.5° | 121.0° |
| C5' | C4' | C3' | O3' | 71.9° | 119.8° |
| C5' | C4' | O4' | C1' | 157.1° | 145.9° |
| C5' | C4' | C3' | C2' | 165.5° | 121.5° |
| C5' | C4' | C3' | H3 | 51.3° | 2.8° |
| C4' | C5' | H7 | H8 | 118.3° | 120.0° |
| C5' | O5' | P | OP1 | 174.8° | 55.0° |
| O5' | C5' | C4' | O4' | 75.2° | 66.4° |
| O5' | C5' | C4' | C3' | 43.0° | 175.5° |
| O5' | C5' | C4' | H5 | 165.5° | 54.7° |
| O5' | C5' | H7 | H8 | 118.2° | 120.0° |
| C5' | O5' | P | OP3 | 60.4° | 175.0° |
| O5' | P | OP1 | OP3 | 111.8° | 120.0° |
| P | O5' | C5' | H7 | 63.5° | 60.0° |
| P | O5' | C5' | H8 | 55.3° | 60.0° |
| O5' | P | OP2 | H16 | 125.0° | 60.0° |
| O5' | P | OP3 | H12 | 115.0° | 180.0° |
| OP1 | P | OP2 | H16 | 0.0° | 180.0° |
| OP1 | P | OP3 | H12 | 0.0° | 60.0° |
| O4' | C4' | C3' | H5 | 114.8° | 119.3° |
| O4' | C4' | C3' | O3' | 165.5° | 120.6° |
| O4' | C4' | C3' | C2' | 42.8° | 1.9° |
| C4' | O4' | C1' | C2' | 5.2° | 39.7° |
| C4' | O4' | C1' | N1 | 127.2° | 158.4° |
| C4' | O4' | C1' | H1 | 112.2° | 78.8° |
| O4' | C4' | C3' | H3 | 71.4° | 116.8° |
| O4' | C4' | C5' | H7 | 45.4° | 173.6° |
| O4' | C4' | C5' | H8 | 164.3° | 53.6° |
| C4' | C3' | O3' | C2' | 115.4° | 114.9° |
| C4' | C3' | O3' | H3 | 122.4° | 122.6° |
| C4' | C3' | C2' | O2' | 76.0° | 139.1° |
| C3' | C4' | O4' | C1' | 30.2° | 26.2° |
| C4' | C3' | C2' | H3 | 114.2° | 118.7° |
| C4' | C3' | C2' | C1' | 38.6° | 20.9° |
| C4' | C3' | C2' | H2 | 157.1° | 97.3° |
| C3' | C4' | C5' | H7 | 163.6° | 55.4° |
| C3' | C4' | C5' | H8 | 77.6° | 64.5° |
| C4' | C3' | O3' | H14 | 180.0° | 176.3° |
| O3' | C3' | C2' | O2' | 46.7° | 20.3° |
| O3' | C3' | C2' | H3 | 123.0° | 122.5° |
| O3' | C3' | C2' | C1' | 161.4° | 98.0° |
| O3' | C3' | C2' | H2 | 80.2° | 143.9° |
| O3' | C3' | C4' | H5 | 50.7° | 1.3° |
| O2' | C2' | C1' | O4' | 94.7° | 155.2° |
| O2' | C2' | C3' | C1' | 114.7° | 118.2° |
| O2' | C2' | C3' | H2 | 126.9° | 123.6° |
| O2' | C2' | C1' | H2 | 125.1° | 123.5° |
| O2' | C2' | C1' | N1 | 142.9° | 86.2° |
| O2' | C2' | C1' | H1 | 23.6° | 36.7° |
| O2' | C2' | C3' | H3 | 169.7° | 102.2° |
| O4' | C1' | C2' | C3' | 21.6° | 36.9° |
| O4' | C1' | C2' | N1 | 122.4° | 118.6° |
| O4' | C1' | C2' | H1 | 118.3° | 118.5° |
| O4' | C1' | N1 | H1 | 121.1° | 122.8° |
| O4' | C1' | N1 | C2 | 34.1° | 128.5° |
| O4' | C1' | N1 | C6 | 150.0° | 51.4° |
| O4' | C1' | C2' | H2 | 140.2° | 81.3° |
| C1' | O4' | C4' | H5 | 84.0° | 93.0° |
| C3' | C2' | C1' | H2 | 118.5° | 118.2° |
| C3' | C2' | C1' | N1 | 100.8° | 155.5° |
| C3' | C2' | C1' | H1 | 140.0° | 81.6° |
| C2' | C3' | C4' | H5 | 72.0° | 117.5° |
| C3' | C2' | O2' | H13 | 180.0° | 67.3° |
| C2' | C3' | O3' | H14 | 64.6° | 61.5° |
| C2' | C1' | N1 | H1 | 118.8° | 122.9° |
| C2' | C1' | N1 | C2 | 86.0° | 117.2° |
| C2' | C1' | N1 | C6 | 89.9° | 62.8° |
| C1' | C2' | C3' | H3 | 75.6° | 139.5° |
| C1' | C2' | O2' | H13 | 70.1° | 180.0° |
| C1' | N1 | C2 | O2 | 3.3° | 0.3° |
| C1' | N1 | C2 | C6 | 175.6° | 179.9° |
| C1' | N1 | C2 | N3 | 178.8° | 180.0° |
| C1' | N1 | C6 | C5 | 178.2° | 180.0° |
| N1 | C1' | C2' | H2 | 17.8° | 37.3° |
| C1' | N1 | C6 | H9 | 1.8° | 0.0° |
| O2 | C2 | N1 | N3 | 177.9° | 179.6° |
| O2 | C2 | N1 | C6 | 178.9° | 179.7° |
| O2 | C2 | N3 | C31 | 1.9° | 0.3° |
| O2 | C2 | N3 | C4 | 179.3° | 179.7° |
| C2 | N1 | C6 | C5 | 2.0° | 0.0° |
| N1 | C2 | N3 | C31 | 179.9° | 179.9° |
| N1 | C2 | N3 | C4 | 2.7° | 0.1° |
| C2 | N1 | C1' | H1 | 155.2° | 5.7° |
| C2 | N1 | C6 | H9 | 178.0° | 179.9° |
| C6 | N1 | C2 | N3 | 3.2° | 0.1° |
| N1 | C6 | C5 | H9 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C6 | N1 | C1' | H1 | 28.9° | 174.2° |
| N1 | C6 | C5 | H6 | 179.6° | 180.0° |
| C2 | N3 | C31 | C4 | 177.1° | 180.0° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| C2 | N3 | C31 | C32 | 128.5° | 90.0° |
| C2 | N3 | C4 | N4 | 179.0° | 122.0° |
| C2 | N3 | C4 | H4 | 88.9° | 121.9° |
| C2 | N3 | C31 | H17 | 6.9° | 150.1° |
| C2 | N3 | C31 | H18 | 110.0° | 30.0° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | H6 | 180.0° | 180.0° |
| C6 | C5 | C4 | N4 | 179.8° | 122.0° |
| C6 | C5 | C4 | H4 | 90.1° | 121.9° |
| C31 | N3 | C4 | C5 | 178.2° | 180.0° |
| N3 | C31 | C32 | H17 | 121.5° | 120.0° |
| N3 | C31 | C32 | H18 | 121.5° | 120.0° |
| C31 | N3 | C4 | N4 | 1.9° | 58.0° |
| C31 | N3 | C4 | H4 | 88.2° | 58.1° |
| N3 | C31 | H17 | H18 | 115.0° | 120.1° |
| N3 | C31 | C32 | H19 | 180.0° | 60.0° |
| N3 | C31 | C32 | H20 | 60.0° | 60.1° |
| N3 | C31 | C32 | H21 | 60.0° | 180.0° |
| N3 | C4 | C5 | N4 | 179.9° | 122.0° |
| N3 | C4 | C5 | H4 | 90.1° | 121.9° |
| C4 | N3 | C31 | C32 | 54.4° | 90.0° |
| N3 | C4 | N4 | H4 | 90.1° | 116.3° |
| N3 | C4 | C5 | H6 | 179.9° | 180.0° |
| N3 | C4 | N4 | H10 | 180.0° | 176.3° |
| N3 | C4 | N4 | H11 | 60.0° | 59.8° |
| C4 | N3 | C31 | H17 | 175.9° | 29.9° |
| C4 | N3 | C31 | H18 | 67.1° | 150.0° |
| C5 | C4 | N4 | H4 | 90.0° | 116.2° |
| C4 | C5 | C6 | H9 | 179.6° | 180.0° |
| C5 | C4 | N4 | H10 | 0.1° | 56.2° |
| C5 | C4 | N4 | H11 | 119.9° | 67.7° |
| C32 | C31 | H17 | H18 | 115.0° | 120.0° |
| C31 | C32 | H19 | H20 | 120.0° | 120.0° |
| C31 | C32 | H19 | H21 | 120.0° | 120.0° |
| C31 | C32 | H20 | H21 | 120.0° | 119.9° |
| N4 | C4 | C5 | H6 | 0.2° | 58.1° |
| C4 | N4 | H10 | H11 | 120.0° | 123.9° |
| H1 | C1' | C2' | H2 | 101.5° | 160.2° |
| H2 | C2' | C3' | H3 | 42.8° | 21.4° |
| H2 | C2' | O2' | H13 | 54.0° | 56.4° |
| H3 | C3' | C4' | H5 | 173.8° | 123.9° |
| H3 | C3' | O3' | H14 | 57.6° | 61.1° |
| H4 | C4 | C5 | H6 | 89.8° | 58.1° |
| H4 | C4 | N4 | H10 | 89.9° | 60.0° |
| H4 | C4 | N4 | H11 | 150.1° | 176.0° |
| H5 | C4' | C5' | H7 | 73.9° | 65.4° |
| H5 | C4' | C5' | H8 | 44.9° | 174.7° |
| H6 | C5 | C6 | H9 | 0.4° | 0.0° |
| H16 | OP2 | P | OP3 | 123.1° | 60.0° |
| H17 | C31 | C32 | H19 | 58.5° | 180.0° |
| H17 | C31 | C32 | H20 | 178.5° | 59.9° |
| H17 | C31 | C32 | H21 | 61.6° | 60.0° |
| H18 | C31 | C32 | H19 | 58.5° | 60.0° |
| H18 | C31 | C32 | H20 | 61.5° | 179.9° |
| H18 | C31 | C32 | H21 | 178.5° | 60.0° |
| H19 | C32 | H20 | H21 | 120.0° | 120.0° |
