I2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | C5 | sing | 1.51Å | 1.50Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C6 | C5 | doub | 1.35Å | 1.35Å | |
| C6 | N1 | sing | 1.37Å | 1.36Å | |
| CN1 | N1 | sing | 1.46Å | 1.46Å | |
| C5 | C4 | sing | 1.42Å | 1.46Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C31 | sing | 1.46Å | 1.47Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | N34 | sing | 1.47Å | 1.49Å | |
| C33 | C34 | sing | 1.51Å | 1.53Å | |
| C34 | O35 | doub | 1.21Å | 1.26Å | |
| C34 | O36 | sing | 1.34Å | 1.25Å | |
| P | OP3 | sing | 1.61Å | 1.61Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | H1 | sing | 0.97Å | 0.95Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CN1 | H12 | sing | 1.09Å | 1.10Å | |
| CN1 | H10 | sing | 1.09Å | 1.10Å | |
| CN1 | H11 | sing | 1.09Å | 1.10Å | |
| N34 | H13 | sing | 1.01Å | 1.00Å | |
| N34 | H15 | sing | 1.01Å | 1.00Å | |
| OP2 | H2 | sing | 0.97Å | 0.95Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| O36 | H3 | sing | 0.97Å | 0.95Å | |
| OP3 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 119.7° | 109.5° |
| OP1 | P | O5' | 107.7° | 109.5° |
| OP1 | P | OP3 | 107.7° | 109.5° |
| OP2 | P | O5' | 108.2° | 109.4° |
| OP2 | P | OP3 | 108.6° | 109.4° |
| P | OP2 | H2 | 109.5° | 114.0° |
| P | O5' | C5' | 120.9° | 123.0° |
| O5' | P | OP3 | 103.8° | 109.5° |
| O5' | C5' | C4' | 111.3° | 109.5° |
| O5' | C5' | H5' | 109.0° | 109.5° |
| O5' | C5' | H5'' | 109.0° | 109.5° |
| C5' | C4' | O4' | 109.7° | 110.6° |
| C5' | C4' | C3' | 116.0° | 110.6° |
| C4' | C5' | H5' | 109.0° | 109.5° |
| C4' | C5' | H5'' | 109.0° | 109.5° |
| C5' | C4' | H4' | 108.7° | 110.5° |
| O4' | C4' | C3' | 104.3° | 103.5° |
| C4' | O4' | C1' | 110.1° | 107.0° |
| O4' | C4' | H4' | 109.4° | 110.6° |
| C4' | C3' | O3' | 112.4° | 110.9° |
| C4' | C3' | C2' | 102.6° | 102.1° |
| C3' | C4' | H4' | 108.5° | 110.8° |
| C4' | C3' | H3' | 108.9° | 110.9° |
| O4' | C1' | C2' | 107.6° | 107.3° |
| O4' | C1' | C5 | 109.2° | 109.9° |
| O4' | C1' | H1' | 109.5° | 109.9° |
| O3' | C3' | C2' | 113.4° | 110.9° |
| O3' | C3' | H3' | 110.3° | 110.8° |
| C3' | O3' | H1 | 109.5° | 114.0° |
| C3' | C2' | C1' | 101.5° | 104.2° |
| C3' | C2' | O2' | 111.2° | 110.5° |
| C2' | C3' | H3' | 108.9° | 110.9° |
| C3' | C2' | H2' | 111.1° | 110.5° |
| C2' | C1' | C5 | 114.2° | 109.9° |
| C1' | C2' | O2' | 108.7° | 110.6° |
| C1' | C2' | H2' | 111.0° | 110.4° |
| C2' | C1' | H1' | 107.9° | 109.9° |
| C1' | C5 | C6 | 123.1° | 120.5° |
| C1' | C5 | C4 | 118.8° | 120.4° |
| C5 | C1' | H1' | 108.4° | 110.0° |
| O2' | C2' | H2' | 112.7° | 110.4° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C5 | C6 | N1 | 123.4° | 119.7° |
| C6 | C5 | C4 | 118.0° | 119.1° |
| C5 | C6 | H6 | 118.3° | 120.2° |
| C6 | N1 | CN1 | 120.7° | 119.7° |
| C6 | N1 | C2 | 121.7° | 120.6° |
| N1 | C6 | H6 | 118.3° | 120.1° |
| CN1 | N1 | C2 | 117.7° | 119.7° |
| N1 | CN1 | H12 | 109.5° | 109.5° |
| N1 | CN1 | H10 | 109.5° | 109.5° |
| N1 | CN1 | H11 | 109.5° | 109.5° |
| C5 | C4 | O4 | 123.9° | 120.4° |
| C5 | C4 | N3 | 115.9° | 119.4° |
| N1 | C2 | N3 | 116.0° | 120.9° |
| N1 | C2 | O2 | 121.8° | 119.5° |
| O4 | C4 | N3 | 120.3° | 120.3° |
| C4 | N3 | C2 | 125.0° | 120.2° |
| C4 | N3 | C31 | 117.4° | 119.9° |
| N3 | C2 | O2 | 122.2° | 119.5° |
| C2 | N3 | C31 | 117.6° | 119.9° |
| N3 | C31 | C32 | 112.7° | 109.5° |
| N3 | C31 | H18 | 108.7° | 109.5° |
| N3 | C31 | H19 | 108.7° | 109.5° |
| C31 | C32 | C33 | 113.5° | 109.5° |
| C32 | C31 | H18 | 108.7° | 109.5° |
| C32 | C31 | H19 | 108.7° | 109.5° |
| C31 | C32 | H21 | 108.4° | 109.5° |
| C31 | C32 | H20 | 108.5° | 109.4° |
| C32 | C33 | N34 | 110.4° | 109.5° |
| C32 | C33 | C34 | 111.1° | 109.5° |
| C33 | C32 | H21 | 108.5° | 109.5° |
| C33 | C32 | H20 | 108.4° | 109.5° |
| C32 | C33 | H22 | 108.4° | 109.5° |
| N34 | C33 | C34 | 109.5° | 109.5° |
| C33 | N34 | H13 | 109.5° | 111.0° |
| C33 | N34 | H15 | 109.5° | 111.0° |
| N34 | C33 | H22 | 109.0° | 109.4° |
| C33 | C34 | O35 | 116.8° | 120.0° |
| C33 | C34 | O36 | 117.5° | 120.0° |
| C34 | C33 | H22 | 108.4° | 109.5° |
| O35 | C34 | O36 | 125.7° | 120.0° |
| C34 | O36 | H3 | 109.5° | 117.0° |
| P | OP3 | H4 | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.4° |
| H12 | CN1 | H10 | 109.5° | 109.4° |
| H12 | CN1 | H11 | 109.5° | 109.5° |
| H10 | CN1 | H11 | 109.4° | 109.4° |
| H13 | N34 | H15 | 109.4° | 111.0° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H21 | C32 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | O5' | 123.7° | 120.0° |
| OP1 | P | OP2 | OP3 | 124.1° | 120.0° |
| OP1 | P | O5' | OP3 | 114.0° | 120.1° |
| OP1 | P | O5' | C5' | 72.5° | 54.9° |
| OP1 | P | OP2 | H2 | 0.0° | 180.0° |
| OP1 | P | OP3 | H4 | 0.0° | 59.9° |
| OP2 | P | O5' | OP3 | 115.3° | 119.9° |
| OP2 | P | O5' | C5' | 156.8° | 65.0° |
| OP2 | P | OP3 | H4 | 130.9° | 60.1° |
| P | O5' | C5' | C4' | 147.8° | 179.9° |
| P | O5' | C5' | H5' | 91.9° | 60.0° |
| P | O5' | C5' | H5'' | 27.6° | 59.9° |
| O5' | P | OP2 | H2 | 123.7° | 60.0° |
| O5' | P | OP3 | H4 | 114.0° | 180.0° |
| O5' | C5' | C4' | H5' | 120.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 62.5° | 66.4° |
| O5' | C5' | C4' | C3' | 55.3° | 179.5° |
| C5' | O5' | P | OP3 | 41.5° | 175.0° |
| O5' | C5' | H5' | H5'' | 119.2° | 120.0° |
| O5' | C5' | C4' | H4' | 177.9° | 56.4° |
| C5' | C4' | O4' | C3' | 124.9° | 118.5° |
| C5' | C4' | O4' | H4' | 119.2° | 122.8° |
| C5' | C4' | C3' | H4' | 122.6° | 123.0° |
| C5' | C4' | O4' | C1' | 143.9° | 158.6° |
| C5' | C4' | C3' | O3' | 82.8° | 86.3° |
| C5' | C4' | C3' | C2' | 155.1° | 155.5° |
| C4' | C5' | H5' | H5'' | 119.2° | 120.0° |
| C5' | C4' | C3' | H3' | 39.8° | 37.3° |
| O4' | C4' | C3' | H4' | 116.6° | 118.6° |
| O4' | C4' | C3' | O3' | 156.5° | 155.2° |
| O4' | C4' | C3' | C2' | 34.4° | 37.0° |
| C4' | O4' | C1' | C2' | 4.3° | 26.5° |
| C4' | O4' | C1' | C5 | 120.2° | 145.9° |
| O4' | C4' | C5' | H5' | 177.2° | 53.6° |
| O4' | C4' | C5' | H5'' | 57.8° | 173.6° |
| O4' | C4' | C3' | H3' | 80.9° | 81.2° |
| C4' | O4' | C1' | H1' | 121.3° | 92.9° |
| C3' | C4' | O4' | C1' | 19.0° | 40.1° |
| C4' | C3' | O3' | C2' | 115.8° | 112.7° |
| C4' | C3' | O3' | H3' | 121.8° | 123.6° |
| C4' | C3' | C2' | H3' | 115.3° | 118.3° |
| C4' | C3' | C2' | C1' | 35.9° | 20.9° |
| C4' | C3' | C2' | O2' | 79.6° | 97.9° |
| C3' | C4' | C5' | H5' | 64.9° | 60.5° |
| C3' | C4' | C5' | H5'' | 175.6° | 59.5° |
| C4' | C3' | O3' | H1 | 180.0° | 180.0° |
| C4' | C3' | C2' | H2' | 154.0° | 139.5° |
| O4' | C1' | C2' | C3' | 25.5° | 2.0° |
| O4' | C1' | C2' | C5 | 121.4° | 119.4° |
| O4' | C1' | C2' | H1' | 118.0° | 119.4° |
| O4' | C1' | C5 | H1' | 119.2° | 121.1° |
| O4' | C1' | C2' | O2' | 91.7° | 120.8° |
| O4' | C1' | C5 | C6 | 10.3° | 126.1° |
| O4' | C1' | C5 | C4 | 167.5° | 53.5° |
| C1' | O4' | C4' | H4' | 96.9° | 78.6° |
| O4' | C1' | C2' | H2' | 143.7° | 116.7° |
| O3' | C3' | C2' | H3' | 123.2° | 123.5° |
| O3' | C3' | C2' | C1' | 157.3° | 139.1° |
| O3' | C3' | C2' | O2' | 41.8° | 20.3° |
| O3' | C3' | C4' | H4' | 39.9° | 36.7° |
| O3' | C3' | C2' | H2' | 84.6° | 102.3° |
| C3' | C2' | C1' | O2' | 117.3° | 118.8° |
| C3' | C2' | C1' | H2' | 118.2° | 118.7° |
| C3' | C2' | C1' | C5 | 95.9° | 121.4° |
| C3' | C2' | O2' | H2' | 125.6° | 122.6° |
| C2' | C3' | C4' | H4' | 82.2° | 81.5° |
| C2' | C3' | O3' | H1 | 64.2° | 67.2° |
| C3' | C2' | O2' | HO2' | 180.0° | 61.4° |
| C3' | C2' | C1' | H1' | 143.6° | 117.4° |
| C2' | C1' | C5 | H1' | 120.3° | 121.1° |
| C1' | C2' | O2' | H2' | 123.6° | 122.5° |
| C2' | C1' | C5 | C6 | 110.2° | 116.0° |
| C2' | C1' | C5 | C4 | 72.0° | 64.3° |
| C1' | C2' | C3' | H3' | 79.5° | 97.4° |
| C1' | C2' | O2' | HO2' | 69.1° | 176.3° |
| C5 | C1' | C2' | O2' | 146.9° | 119.8° |
| C1' | C5 | C6 | C4 | 177.9° | 179.7° |
| C1' | C5 | C6 | N1 | 177.4° | 180.0° |
| C1' | C5 | C4 | O4 | 3.4° | 0.0° |
| C1' | C5 | C4 | N3 | 177.2° | 179.7° |
| C5 | C1' | C2' | H2' | 22.3° | 2.8° |
| C1' | C5 | C6 | H6 | 2.6° | 0.1° |
| O2' | C2' | C3' | H3' | 165.1° | 143.8° |
| O2' | C2' | C1' | H1' | 26.3° | 1.4° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | CN1 | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | O4 | 178.6° | 179.7° |
| C6 | C5 | C4 | N3 | 0.7° | 0.6° |
| C6 | C5 | C1' | H1' | 129.5° | 5.1° |
| C6 | N1 | CN1 | C2 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.5° | 0.3° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| C6 | N1 | CN1 | H12 | 180.0° | 90.0° |
| C6 | N1 | CN1 | H10 | 60.0° | 150.0° |
| C6 | N1 | CN1 | H11 | 60.0° | 30.0° |
| CN1 | N1 | C2 | N3 | 179.9° | 180.0° |
| CN1 | N1 | C2 | O2 | 0.0° | 0.0° |
| CN1 | N1 | C6 | H6 | 0.3° | 0.0° |
| N1 | CN1 | H12 | H10 | 120.0° | 120.0° |
| N1 | CN1 | H12 | H11 | 120.0° | 120.1° |
| N1 | CN1 | H10 | H11 | 120.0° | 120.0° |
| C5 | C4 | O4 | N3 | 179.3° | 179.7° |
| C5 | C4 | N3 | C2 | 0.6° | 0.6° |
| C5 | C4 | N3 | C31 | 178.2° | 179.7° |
| C4 | C5 | C1' | H1' | 48.3° | 174.6° |
| C4 | C5 | C6 | H6 | 179.5° | 179.7° |
| N1 | C2 | N3 | C4 | 0.2° | 0.3° |
| N1 | C2 | N3 | O2 | 179.8° | 180.0° |
| N1 | C2 | N3 | C31 | 178.6° | 180.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C2 | N1 | CN1 | H12 | 0.3° | 90.0° |
| C2 | N1 | CN1 | H10 | 119.7° | 30.0° |
| C2 | N1 | CN1 | H11 | 120.3° | 150.0° |
| O4 | C4 | N3 | C2 | 178.8° | 179.7° |
| O4 | C4 | N3 | C31 | 2.5° | 0.0° |
| C4 | N3 | C2 | C31 | 178.8° | 179.7° |
| C4 | N3 | C2 | O2 | 180.0° | 179.7° |
| C4 | N3 | C31 | C32 | 61.9° | 89.7° |
| C4 | N3 | C31 | H18 | 177.7° | 30.3° |
| C4 | N3 | C31 | H19 | 58.6° | 150.3° |
| C2 | N3 | C31 | C32 | 117.0° | 90.0° |
| C2 | N3 | C31 | H18 | 3.5° | 150.0° |
| C2 | N3 | C31 | H19 | 122.5° | 30.0° |
| O2 | C2 | N3 | C31 | 1.2° | 0.0° |
| N3 | C31 | C32 | H18 | 120.5° | 120.0° |
| N3 | C31 | C32 | H19 | 120.5° | 120.0° |
| N3 | C31 | C32 | C33 | 155.5° | 180.0° |
| N3 | C31 | H18 | H19 | 118.5° | 120.0° |
| N3 | C31 | C32 | H21 | 83.9° | 60.0° |
| N3 | C31 | C32 | H20 | 34.9° | 60.0° |
| C31 | C32 | C33 | H21 | 120.6° | 120.0° |
| C31 | C32 | C33 | H20 | 120.6° | 120.0° |
| C31 | C32 | C33 | N34 | 165.8° | 65.0° |
| C31 | C32 | C33 | C34 | 44.1° | 175.0° |
| C32 | C31 | H18 | H19 | 118.5° | 120.0° |
| C31 | C32 | H21 | H20 | 118.1° | 120.0° |
| C31 | C32 | C33 | H22 | 74.9° | 55.0° |
| C32 | C33 | N34 | C34 | 122.7° | 120.0° |
| C32 | C33 | N34 | H22 | 119.0° | 120.0° |
| C32 | C33 | C34 | H22 | 119.0° | 120.0° |
| C32 | C33 | C34 | O35 | 94.0° | 100.0° |
| C32 | C33 | C34 | O36 | 86.2° | 80.0° |
| C32 | C33 | N34 | H13 | 180.0° | 176.0° |
| C32 | C33 | N34 | H15 | 60.0° | 60.0° |
| C33 | C32 | C31 | H18 | 35.0° | 60.0° |
| C33 | C32 | C31 | H19 | 84.0° | 60.0° |
| C33 | C32 | H21 | H20 | 118.1° | 120.0° |
| N34 | C33 | C34 | H22 | 118.7° | 120.0° |
| N34 | C33 | C34 | O35 | 143.7° | 20.0° |
| N34 | C33 | C34 | O36 | 36.1° | 160.0° |
| C33 | N34 | H13 | H15 | 120.0° | 123.9° |
| N34 | C33 | C32 | H21 | 45.2° | 175.0° |
| N34 | C33 | C32 | H20 | 73.6° | 55.0° |
| C33 | C34 | O35 | O36 | 179.7° | 180.0° |
| C34 | C33 | N34 | H13 | 57.3° | 64.0° |
| C34 | C33 | N34 | H15 | 62.7° | 60.0° |
| C34 | C33 | C32 | H21 | 76.5° | 55.0° |
| C34 | C33 | C32 | H20 | 164.7° | 65.0° |
| C33 | C34 | O36 | H3 | 179.7° | 180.0° |
| O35 | C34 | C33 | H22 | 24.9° | 140.0° |
| O35 | C34 | O36 | H3 | 0.0° | 0.0° |
| O36 | C34 | C33 | H22 | 154.8° | 40.0° |
| OP3 | P | OP2 | H2 | 124.2° | 59.9° |
| H5' | C5' | C4' | H4' | 57.6° | 176.4° |
| H5'' | C5' | C4' | H4' | 61.9° | 63.6° |
| H4' | C4' | C3' | H3' | 162.5° | 160.2° |
| H3' | C3' | O3' | H1 | 58.2° | 56.4° |
| H3' | C3' | C2' | H2' | 38.6° | 21.3° |
| H2' | C2' | O2' | HO2' | 54.4° | 61.1° |
| H2' | C2' | C1' | H1' | 98.2° | 123.9° |
| H12 | CN1 | H10 | H11 | 120.0° | 119.9° |
| H13 | N34 | C33 | H22 | 61.0° | 56.1° |
| H15 | N34 | C33 | H22 | 179.0° | 180.0° |
| H18 | C31 | C32 | H21 | 155.6° | 180.0° |
| H18 | C31 | C32 | H20 | 85.6° | 60.0° |
| H19 | C31 | C32 | H21 | 36.6° | 60.0° |
| H19 | C31 | C32 | H20 | 155.4° | 180.0° |
| H21 | C32 | C33 | H22 | 164.5° | 65.0° |
| H20 | C32 | C33 | H22 | 45.7° | 175.0° |
