C4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | OP1 | doub | 1.48Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| O5' | C5' | sing | 1.43Å | 1.41Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| O3' | C3' | sing | 1.43Å | 1.41Å | |
| O4' | C1' | sing | 1.43Å | 1.39Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| C6 | N1 | sing | 1.37Å | 1.31Å | |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | C5 | sing | 1.51Å | 1.52Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C5 | C4 | sing | 1.42Å | 1.35Å | |
| C2 | O2 | doub | 1.22Å | 1.18Å | |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C4 | N3 | sing | 1.35Å | 1.31Å | |
| C4 | O4 | doub | 1.22Å | 1.18Å | |
| N3 | C3 | sing | 1.46Å | 1.44Å | |
| C3 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.51Å | |
| O36 | C34 | doub | 1.21Å | 1.26Å | |
| C34 | C32 | sing | 1.51Å | 1.52Å | |
| C34 | O35 | sing | 1.34Å | 1.26Å | |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| N33 | H16 | sing | 1.01Å | 1.00Å | |
| N33 | H17 | sing | 1.01Å | 1.00Å | |
| O2' | H19 | sing | 0.97Å | 0.95Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å | |
| O35 | H21 | sing | 0.97Å | 0.95Å | |
| OP2 | H23 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| OP3 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP2 | P | OP1 | 115.5° | 109.5° |
| OP2 | P | O5' | 112.7° | 109.5° |
| P | OP2 | H23 | 109.5° | 113.9° |
| OP2 | P | OP3 | 115.5° | 109.5° |
| OP1 | P | O5' | 103.8° | 109.5° |
| OP1 | P | OP3 | 105.5° | 109.4° |
| P | O5' | C5' | 122.0° | 123.0° |
| O5' | P | OP3 | 102.3° | 109.5° |
| O5' | C5' | C4' | 110.0° | 109.4° |
| O5' | C5' | H14 | 109.3° | 109.4° |
| O5' | C5' | H15 | 109.3° | 109.4° |
| C5' | C4' | O4' | 110.0° | 110.4° |
| C5' | C4' | C3' | 117.2° | 110.3° |
| C5' | C4' | H13 | 107.9° | 110.4° |
| C4' | C5' | H14 | 109.3° | 109.5° |
| C4' | C5' | H15 | 109.3° | 109.5° |
| O4' | C4' | C3' | 105.5° | 105.1° |
| C4' | O4' | C1' | 108.8° | 110.0° |
| O4' | C4' | H13 | 108.6° | 110.3° |
| C4' | C3' | O3' | 113.4° | 111.1° |
| C4' | C3' | C2' | 105.3° | 100.9° |
| C4' | C3' | H9 | 107.5° | 111.1° |
| C3' | C4' | H13 | 107.4° | 110.3° |
| O3' | C3' | C2' | 113.7° | 111.2° |
| O3' | C3' | H9 | 109.1° | 111.0° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| O4' | C1' | C2' | 106.0° | 107.6° |
| O4' | C1' | C5 | 110.6° | 109.8° |
| O4' | C1' | H5 | 108.6° | 109.9° |
| C3' | C2' | C1' | 102.5° | 102.2° |
| C3' | C2' | O2' | 110.3° | 111.0° |
| C3' | C2' | H6 | 111.2° | 110.9° |
| C2' | C3' | H9 | 107.5° | 111.1° |
| C1 | N1 | C6 | 119.5° | 119.7° |
| C1 | N1 | C2 | 120.9° | 119.7° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.5° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| N1 | C6 | C5 | 121.6° | 119.7° |
| C6 | N1 | C2 | 119.6° | 120.6° |
| N1 | C6 | H1 | 119.2° | 120.2° |
| C6 | C5 | C1' | 120.2° | 120.5° |
| C6 | C5 | C4 | 118.0° | 119.1° |
| C5 | C6 | H1 | 119.2° | 120.1° |
| C2' | C1' | C5 | 117.4° | 109.8° |
| C1' | C2' | O2' | 107.8° | 110.8° |
| C2' | C1' | H5 | 107.0° | 109.8° |
| C1' | C2' | H6 | 111.4° | 110.9° |
| C1' | C5 | C4 | 121.7° | 120.4° |
| C5 | C1' | H5 | 107.0° | 109.8° |
| O2' | C2' | H6 | 113.1° | 110.8° |
| C2' | O2' | H19 | 109.5° | 113.9° |
| N1 | C2 | O2 | 120.0° | 119.5° |
| N1 | C2 | N3 | 119.7° | 120.9° |
| C5 | C4 | N3 | 120.4° | 119.3° |
| C5 | C4 | O4 | 121.8° | 120.4° |
| O2 | C2 | N3 | 120.3° | 119.6° |
| C2 | N3 | C4 | 120.7° | 120.3° |
| C2 | N3 | C3 | 120.3° | 119.9° |
| N3 | C4 | O4 | 117.8° | 120.3° |
| C4 | N3 | C3 | 119.0° | 119.9° |
| N3 | C3 | C31 | 109.5° | 109.5° |
| N3 | C3 | H7 | 109.5° | 109.5° |
| N3 | C3 | H8 | 109.5° | 109.5° |
| C3 | C31 | C32 | 109.1° | 109.5° |
| C31 | C3 | H7 | 109.4° | 109.5° |
| C31 | C3 | H8 | 109.5° | 109.4° |
| C3 | C31 | H10 | 109.6° | 109.5° |
| C3 | C31 | H11 | 109.6° | 109.4° |
| C31 | C32 | C34 | 107.9° | 109.5° |
| C31 | C32 | N33 | 108.8° | 109.5° |
| C32 | C31 | H10 | 109.6° | 109.5° |
| C32 | C31 | H11 | 109.6° | 109.5° |
| C31 | C32 | H12 | 109.8° | 109.5° |
| O36 | C34 | C32 | 118.9° | 120.0° |
| O36 | C34 | O35 | 125.5° | 120.0° |
| C32 | C34 | O35 | 115.6° | 120.0° |
| C34 | C32 | N33 | 109.9° | 109.4° |
| C34 | C32 | H12 | 109.6° | 109.5° |
| C34 | O35 | H21 | 109.5° | 117.0° |
| N33 | C32 | H12 | 110.7° | 109.5° |
| C32 | N33 | H16 | 109.5° | 111.0° |
| C32 | N33 | H17 | 109.5° | 111.0° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.4° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.4° |
| H14 | C5' | H15 | 109.5° | 109.5° |
| H16 | N33 | H17 | 109.4° | 111.0° |
| P | OP3 | H24 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP2 | P | OP1 | O5' | 123.9° | 120.0° |
| OP2 | P | OP1 | OP3 | 128.8° | 120.0° |
| OP2 | P | O5' | OP3 | 124.7° | 120.0° |
| OP2 | P | O5' | C5' | 3.6° | 65.0° |
| OP2 | P | OP3 | H24 | 128.8° | 59.9° |
| OP1 | P | O5' | OP3 | 109.6° | 120.0° |
| OP1 | P | O5' | C5' | 129.3° | 55.0° |
| OP1 | P | OP2 | H23 | 0.0° | 180.0° |
| OP1 | P | OP3 | H24 | 0.0° | 60.0° |
| P | O5' | C5' | C4' | 78.4° | 180.0° |
| P | O5' | C5' | H14 | 41.7° | 60.0° |
| P | O5' | C5' | H15 | 161.6° | 60.0° |
| O5' | P | OP2 | H23 | 119.1° | 60.0° |
| O5' | P | OP3 | H24 | 108.4° | 180.0° |
| O5' | C5' | C4' | H14 | 120.1° | 120.0° |
| O5' | C5' | C4' | H15 | 120.1° | 120.0° |
| O5' | C5' | C4' | O4' | 47.1° | 66.4° |
| O5' | C5' | C4' | C3' | 167.5° | 177.8° |
| O5' | C5' | C4' | H13 | 71.2° | 55.7° |
| O5' | C5' | H14 | H15 | 119.7° | 119.9° |
| C5' | O5' | P | OP3 | 121.1° | 175.0° |
| C5' | C4' | O4' | C3' | 127.3° | 118.9° |
| C5' | C4' | O4' | H13 | 117.8° | 122.2° |
| C5' | C4' | C3' | H13 | 121.6° | 122.1° |
| C5' | C4' | C3' | O3' | 2.1° | 37.5° |
| C5' | C4' | O4' | C1' | 152.4° | 143.3° |
| C5' | C4' | C3' | C2' | 126.9° | 155.4° |
| C5' | C4' | C3' | H9 | 118.6° | 86.7° |
| C4' | C5' | H14 | H15 | 119.8° | 120.1° |
| O4' | C4' | C3' | H13 | 115.7° | 118.9° |
| O4' | C4' | C3' | O3' | 120.6° | 81.5° |
| O4' | C4' | C3' | C2' | 4.2° | 36.4° |
| C4' | O4' | C1' | C2' | 36.0° | 1.7° |
| C4' | O4' | C1' | C5 | 92.2° | 117.9° |
| C4' | O4' | C1' | H5 | 150.7° | 121.2° |
| O4' | C4' | C3' | H9 | 118.7° | 154.4° |
| O4' | C4' | C5' | H14 | 167.2° | 53.5° |
| O4' | C4' | C5' | H15 | 73.0° | 173.6° |
| C4' | C3' | O3' | C2' | 120.2° | 111.6° |
| C4' | C3' | O3' | H9 | 119.8° | 124.2° |
| C3' | C4' | O4' | C1' | 25.1° | 24.4° |
| C4' | C3' | C2' | H9 | 114.4° | 117.9° |
| C4' | C3' | C2' | C1' | 15.6° | 34.1° |
| C4' | C3' | C2' | O2' | 99.0° | 152.3° |
| C4' | C3' | C2' | H6 | 134.7° | 84.1° |
| C3' | C4' | C5' | H14 | 72.4° | 62.2° |
| C3' | C4' | C5' | H15 | 47.4° | 57.9° |
| C4' | C3' | O3' | H20 | 180.0° | 173.0° |
| O3' | C3' | C2' | H9 | 120.8° | 124.2° |
| O3' | C3' | C2' | C1' | 140.3° | 83.8° |
| O3' | C3' | C2' | O2' | 25.7° | 34.4° |
| O3' | C3' | C2' | H6 | 100.6° | 158.0° |
| O3' | C3' | C4' | H13 | 123.7° | 159.6° |
| O4' | C1' | C2' | C3' | 31.3° | 21.4° |
| O4' | C1' | C5 | C6 | 6.9° | 126.9° |
| O4' | C1' | C2' | C5 | 124.1° | 119.5° |
| O4' | C1' | C2' | H5 | 115.8° | 119.6° |
| O4' | C1' | C5 | H5 | 118.1° | 121.0° |
| O4' | C1' | C2' | O2' | 85.1° | 139.8° |
| O4' | C1' | C5 | C4 | 176.6° | 53.1° |
| O4' | C1' | C2' | H6 | 150.3° | 96.8° |
| C1' | O4' | C4' | H13 | 89.8° | 94.5° |
| C3' | C2' | C1' | O2' | 116.4° | 118.4° |
| C3' | C2' | C1' | H6 | 119.0° | 118.2° |
| C3' | C2' | C1' | C5 | 92.8° | 140.9° |
| C3' | C2' | O2' | H6 | 125.2° | 123.6° |
| C3' | C2' | C1' | H5 | 147.1° | 98.2° |
| C2' | C3' | C4' | H13 | 111.5° | 82.5° |
| C3' | C2' | O2' | H19 | 180.0° | 67.1° |
| C2' | C3' | O3' | H20 | 59.8° | 61.4° |
| C1 | N1 | C6 | C2 | 179.3° | 179.9° |
| C1 | N1 | C6 | C5 | 179.0° | 180.0° |
| C1 | N1 | C2 | O2 | 1.0° | 0.0° |
| C1 | N1 | C2 | N3 | 179.6° | 180.0° |
| C1 | N1 | C6 | H1 | 1.0° | 0.3° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H4 | 120.0° | 120.1° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| N1 | C6 | C5 | H1 | 180.0° | 179.7° |
| N1 | C6 | C5 | C1' | 179.0° | 180.0° |
| N1 | C6 | C5 | C4 | 2.3° | 0.0° |
| C6 | N1 | C2 | O2 | 179.7° | 179.9° |
| C6 | N1 | C2 | N3 | 1.1° | 0.0° |
| C6 | N1 | C1 | H2 | 180.0° | 90.0° |
| C6 | N1 | C1 | H3 | 60.0° | 150.0° |
| C6 | N1 | C1 | H4 | 60.0° | 30.0° |
| C6 | C5 | C1' | C2' | 128.6° | 115.0° |
| C6 | C5 | C1' | C4 | 176.6° | 180.0° |
| C5 | C6 | N1 | C2 | 1.7° | 0.1° |
| C6 | C5 | C4 | N3 | 2.4° | 0.0° |
| C6 | C5 | C4 | O4 | 179.1° | 180.0° |
| C6 | C5 | C1' | H5 | 111.2° | 5.9° |
| C2' | C1' | C5 | H5 | 120.1° | 120.9° |
| C1' | C2' | O2' | H6 | 123.6° | 123.5° |
| C2' | C1' | C5 | C4 | 54.8° | 65.0° |
| C1' | C2' | C3' | H9 | 98.9° | 152.1° |
| C1' | C2' | O2' | H19 | 68.8° | 179.9° |
| C5 | C1' | C2' | O2' | 150.8° | 100.7° |
| C1' | C5 | C4 | N3 | 179.0° | 180.0° |
| C1' | C5 | C4 | O4 | 2.5° | 0.1° |
| C1' | C5 | C6 | H1 | 1.0° | 0.3° |
| C5 | C1' | C2' | H6 | 26.2° | 22.7° |
| O2' | C2' | C1' | H5 | 30.6° | 20.1° |
| O2' | C2' | C3' | H9 | 146.5° | 89.7° |
| N1 | C2 | O2 | N3 | 178.6° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| N1 | C2 | N3 | C3 | 179.8° | 179.9° |
| C2 | N1 | C6 | H1 | 178.3° | 179.7° |
| C2 | N1 | C1 | H2 | 0.7° | 90.0° |
| C2 | N1 | C1 | H3 | 119.3° | 30.0° |
| C2 | N1 | C1 | H4 | 120.7° | 149.9° |
| C5 | C4 | N3 | C2 | 1.8° | 0.0° |
| C5 | C4 | N3 | O4 | 178.6° | 179.9° |
| C5 | C4 | N3 | C3 | 179.1° | 179.9° |
| C4 | C5 | C6 | H1 | 177.7° | 179.7° |
| C4 | C5 | C1' | H5 | 65.3° | 174.1° |
| O2 | C2 | N3 | C4 | 179.7° | 180.0° |
| O2 | C2 | N3 | C3 | 1.2° | 0.0° |
| C2 | N3 | C4 | C3 | 179.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.6° | 180.0° |
| C2 | N3 | C3 | C31 | 85.3° | 90.0° |
| C2 | N3 | C3 | H7 | 34.7° | 150.0° |
| C2 | N3 | C3 | H8 | 154.7° | 29.9° |
| C4 | N3 | C3 | C31 | 93.8° | 90.0° |
| C4 | N3 | C3 | H7 | 146.2° | 29.9° |
| C4 | N3 | C3 | H8 | 26.2° | 150.0° |
| O4 | C4 | N3 | C3 | 0.6° | 0.1° |
| N3 | C3 | C31 | H7 | 120.0° | 120.0° |
| N3 | C3 | C31 | H8 | 120.0° | 120.0° |
| N3 | C3 | C31 | C32 | 165.7° | 180.0° |
| N3 | C3 | H7 | H8 | 120.0° | 120.1° |
| N3 | C3 | C31 | H10 | 74.4° | 59.9° |
| N3 | C3 | C31 | H11 | 45.7° | 60.0° |
| C3 | C31 | C32 | H10 | 119.9° | 120.0° |
| C3 | C31 | C32 | H11 | 120.0° | 120.0° |
| C3 | C31 | C32 | C34 | 71.2° | 175.0° |
| C3 | C31 | C32 | N33 | 48.0° | 65.0° |
| C31 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | C31 | H10 | H11 | 120.2° | 119.9° |
| C3 | C31 | C32 | H12 | 169.3° | 55.0° |
| C31 | C32 | C34 | O36 | 58.1° | 100.0° |
| C31 | C32 | C34 | N33 | 118.5° | 120.0° |
| C31 | C32 | C34 | H12 | 119.6° | 120.0° |
| C31 | C32 | C34 | O35 | 122.0° | 80.0° |
| C31 | C32 | N33 | H12 | 120.8° | 120.0° |
| C32 | C31 | C3 | H7 | 45.7° | 60.0° |
| C32 | C31 | C3 | H8 | 74.3° | 60.0° |
| C32 | C31 | H10 | H11 | 120.2° | 120.0° |
| C31 | C32 | N33 | H16 | 180.0° | 60.0° |
| C31 | C32 | N33 | H17 | 60.0° | 64.0° |
| O36 | C34 | C32 | O35 | 180.0° | 180.0° |
| O36 | C34 | C32 | N33 | 176.6° | 20.0° |
| O36 | C34 | C32 | H12 | 61.5° | 140.0° |
| O36 | C34 | O35 | H21 | 0.0° | 0.0° |
| C34 | C32 | N33 | H12 | 121.3° | 120.0° |
| C34 | C32 | C31 | H10 | 168.8° | 55.0° |
| C34 | C32 | C31 | H11 | 48.7° | 65.0° |
| C34 | C32 | N33 | H16 | 62.0° | 60.0° |
| C34 | C32 | N33 | H17 | 57.9° | 176.0° |
| C32 | C34 | O35 | H21 | 180.0° | 180.0° |
| O35 | C34 | C32 | N33 | 3.5° | 160.0° |
| O35 | C34 | C32 | H12 | 118.4° | 40.0° |
| N33 | C32 | C31 | H10 | 72.0° | 175.0° |
| N33 | C32 | C31 | H11 | 167.9° | 55.0° |
| C32 | N33 | H16 | H17 | 120.0° | 124.0° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H5 | C1' | C2' | H6 | 94.0° | 143.6° |
| H6 | C2' | C3' | H9 | 20.2° | 33.8° |
| H6 | C2' | O2' | H19 | 54.8° | 56.6° |
| H7 | C3 | C31 | H10 | 165.6° | 180.0° |
| H7 | C3 | C31 | H11 | 74.3° | 60.0° |
| H8 | C3 | C31 | H10 | 45.6° | 60.1° |
| H8 | C3 | C31 | H11 | 165.7° | NaN° |
| H9 | C3' | C4' | H13 | 3.0° | 35.5° |
| H9 | C3' | O3' | H20 | 60.2° | 62.8° |
| H10 | C31 | C32 | H12 | 49.4° | 65.0° |
| H11 | C31 | C32 | H12 | 70.7° | 175.0° |
| H12 | C32 | N33 | H16 | 59.3° | 180.0° |
| H12 | C32 | N33 | H17 | 179.2° | 56.0° |
| H13 | C4' | C5' | H14 | 48.9° | 175.7° |
| H13 | C4' | C5' | H15 | 168.7° | 64.2° |
| H23 | OP2 | P | OP3 | 123.7° | 60.0° |
