1CC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.21Å | 1.27Å | |
| N4 | C4 | sing | 1.37Å | 1.35Å | |
| C21 | O23 | sing | 1.35Å | 1.27Å | |
| C21 | C5 | sing | 1.47Å | 1.51Å | |
| OP1 | P | doub | 1.48Å | 1.64Å | |
| C4 | C5 | sing | 1.47Å | 1.39Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | |
| N3 | C2 | sing | 1.33Å | 1.36Å | |
| OP2 | P | sing | 1.61Å | 1.64Å | |
| C6 | N1 | sing | 1.35Å | 1.34Å | |
| P | O5' | sing | 1.61Å | 1.70Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.26Å | |
| N1 | C1' | sing | 1.46Å | 1.46Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.45Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| N4 | H41 | sing | 0.97Å | 1.00Å | |
| O23 | H5 | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 64.82Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | O23 | 123.0° | 120.0° |
| O22 | C21 | C5 | 119.9° | 120.0° |
| N4 | C4 | C5 | 122.4° | 120.7° |
| N4 | C4 | N3 | 118.0° | 120.6° |
| C4 | N4 | H42 | 120.0° | 120.0° |
| C4 | N4 | H41 | 120.0° | 120.1° |
| O23 | C21 | C5 | 117.1° | 120.0° |
| C21 | O23 | H5 | 109.5° | 117.0° |
| C21 | C5 | C4 | 121.6° | 121.0° |
| C21 | C5 | C6 | 119.4° | 121.0° |
| OP1 | P | OP2 | 114.1° | 109.5° |
| OP1 | P | O5' | 118.2° | 109.4° |
| OP1 | P | OP3 | 85.9° | 109.5° |
| C5 | C4 | N3 | 119.6° | 118.7° |
| C4 | C5 | C6 | 119.0° | 118.0° |
| C4 | N3 | C2 | 121.5° | 120.8° |
| C5 | C6 | N1 | 121.0° | 119.0° |
| C5 | C6 | H6 | 119.5° | 120.5° |
| N3 | C2 | N1 | 119.6° | 122.3° |
| N3 | C2 | O2 | 121.4° | 118.9° |
| OP2 | P | O5' | 114.5° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| OP2 | P | OP3 | 115.7° | 109.5° |
| C6 | N1 | C2 | 119.3° | 121.2° |
| C6 | N1 | C1' | 124.2° | 119.4° |
| N1 | C6 | H6 | 119.5° | 120.5° |
| P | O5' | C5' | 121.0° | 123.0° |
| O5' | P | OP3 | 104.8° | 109.5° |
| N1 | C2 | O2 | 119.0° | 118.8° |
| C2 | N1 | C1' | 116.4° | 119.4° |
| N1 | C1' | C2' | 114.9° | 110.4° |
| N1 | C1' | O4' | 110.4° | 110.4° |
| N1 | C1' | H1' | 107.7° | 110.5° |
| O5' | C5' | C4' | 108.8° | 109.4° |
| O5' | C5' | H5'' | 109.7° | 109.5° |
| O5' | C5' | H5' | 109.7° | 109.5° |
| C5' | C4' | C3' | 108.7° | 110.3° |
| C5' | C4' | O4' | 110.2° | 110.4° |
| C4' | C5' | H5'' | 109.6° | 109.4° |
| C4' | C5' | H5' | 109.6° | 109.5° |
| C5' | C4' | H4' | 110.3° | 110.3° |
| C1' | C2' | C3' | 102.7° | 104.1° |
| C2' | C1' | O4' | 108.4° | 104.9° |
| C1' | C2' | H2'' | 111.2° | 110.5° |
| C1' | C2' | H2' | 111.1° | 110.5° |
| C2' | C1' | H1' | 107.1° | 110.3° |
| C2' | C3' | C4' | 102.8° | 104.1° |
| C2' | C3' | O3' | 111.6° | 110.5° |
| C2' | C3' | H3' | 111.1° | 110.6° |
| C3' | C2' | H2'' | 111.1° | 110.4° |
| C3' | C2' | H2' | 111.1° | 110.5° |
| C1' | O4' | C4' | 108.4° | 105.2° |
| O4' | C1' | H1' | 108.2° | 110.2° |
| C4' | C3' | O3' | 107.2° | 110.5° |
| C3' | C4' | O4' | 105.1° | 104.9° |
| C3' | C4' | H4' | 110.6° | 110.4° |
| C4' | C3' | H3' | 111.3° | 110.5° |
| O3' | C3' | H3' | 112.4° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C4' | H4' | 111.8° | 110.4° |
| H5'' | C5' | H5' | 109.5° | 109.5° |
| H2'' | C2' | H2' | 109.5° | 110.6° |
| H42 | N4 | H41 | 120.0° | 120.0° |
| P | OP3 | HOP3 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | O23 | C5 | 177.9° | 180.0° |
| O22 | C21 | C5 | C4 | 10.3° | 174.3° |
| O22 | C21 | C5 | C6 | 170.7° | 5.7° |
| O22 | C21 | O23 | H5 | 0.0° | 0.1° |
| N4 | C4 | C5 | C21 | 1.0° | 0.0° |
| N4 | C4 | C5 | N3 | 179.9° | 180.0° |
| N4 | C4 | C5 | C6 | 179.9° | 180.0° |
| N4 | C4 | N3 | C2 | 179.8° | 179.6° |
| C4 | N4 | H42 | H41 | 180.0° | 180.0° |
| O23 | C21 | C5 | C4 | 167.7° | 5.7° |
| O23 | C21 | C5 | C6 | 11.3° | 174.3° |
| C21 | C5 | C4 | C6 | 179.0° | 180.0° |
| C21 | C5 | C4 | N3 | 178.9° | 180.0° |
| C21 | C5 | C6 | N1 | 178.1° | 180.0° |
| C21 | C5 | C6 | H6 | 1.9° | 0.0° |
| C5 | C21 | O23 | H5 | 178.0° | 179.9° |
| OP1 | P | OP2 | O5' | 140.6° | 120.0° |
| OP1 | P | OP2 | OP3 | 97.4° | 120.0° |
| OP1 | P | O5' | OP3 | 93.3° | 120.0° |
| OP1 | P | O5' | C5' | 67.6° | 55.0° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 90.0° | 60.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.4° |
| C4 | C5 | C6 | N1 | 0.8° | 0.0° |
| C4 | C5 | C6 | H6 | 179.2° | 180.0° |
| C5 | C4 | N4 | H42 | 179.9° | 5.4° |
| C5 | C4 | N4 | H41 | 0.1° | 174.6° |
| N3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C4 | N3 | C2 | N1 | 0.5° | 0.7° |
| C4 | N3 | C2 | O2 | 179.9° | 180.0° |
| N3 | C4 | N4 | H42 | 0.0° | 174.7° |
| N3 | C4 | N4 | H41 | 180.0° | 5.4° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 1.5° | 0.3° |
| C5 | C6 | N1 | C1' | 177.7° | 180.0° |
| N3 | C2 | N1 | C6 | 1.3° | 0.7° |
| N3 | C2 | N1 | O2 | 179.6° | 179.3° |
| N3 | C2 | N1 | C1' | 177.8° | 179.7° |
| OP2 | P | O5' | OP3 | 127.8° | 120.0° |
| OP2 | P | O5' | C5' | 71.2° | 65.0° |
| OP2 | P | OP3 | HOP3 | 90.0° | 60.0° |
| C6 | N1 | C2 | C1' | 176.5° | 179.7° |
| C6 | N1 | C2 | O2 | 179.1° | 180.0° |
| C6 | N1 | C1' | C2' | 71.5° | 115.0° |
| C6 | N1 | C1' | O4' | 51.4° | 129.5° |
| C6 | N1 | C1' | H1' | 169.3° | 7.3° |
| P | O5' | C5' | C4' | 167.6° | 180.0° |
| O5' | P | OP2 | HOP2 | 140.6° | 60.1° |
| P | O5' | C5' | H5'' | 72.5° | 60.0° |
| P | O5' | C5' | H5' | 47.7° | 60.0° |
| O5' | P | OP3 | HOP3 | 90.0° | 180.0° |
| C2 | N1 | C1' | C2' | 112.2° | 65.3° |
| C2 | N1 | C1' | O4' | 124.9° | 50.2° |
| C2 | N1 | C1' | H1' | 6.9° | 172.4° |
| C2 | N1 | C6 | H6 | 178.5° | 179.7° |
| O2 | C2 | N1 | C1' | 2.6° | 0.3° |
| N1 | C1' | C2' | O4' | 123.9° | 118.9° |
| N1 | C1' | C2' | H1' | 119.5° | 122.4° |
| N1 | C1' | C2' | C3' | 138.4° | 142.8° |
| N1 | C1' | O4' | H1' | 117.6° | 122.3° |
| N1 | C1' | O4' | C4' | 118.6° | 159.3° |
| N1 | C1' | C2' | H2'' | 102.6° | 24.3° |
| N1 | C1' | C2' | H2' | 19.5° | 98.5° |
| C1' | N1 | C6 | H6 | 2.3° | 0.0° |
| O5' | C5' | C4' | H5'' | 119.9° | 120.0° |
| O5' | C5' | C4' | H5' | 119.9° | 120.1° |
| O5' | C5' | C4' | C3' | 51.3° | 176.6° |
| O5' | C5' | C4' | O4' | 166.1° | 67.9° |
| O5' | C5' | H5'' | H5' | 120.3° | 120.1° |
| O5' | C5' | C4' | H4' | 70.1° | 54.4° |
| C5' | O5' | P | OP3 | 160.9° | 175.0° |
| C5' | C4' | C3' | C2' | 82.1° | 142.8° |
| C5' | C4' | O4' | C1' | 89.4° | 159.2° |
| C5' | C4' | C3' | O4' | 118.0° | 118.9° |
| C5' | C4' | C3' | H4' | 121.2° | 122.2° |
| C5' | C4' | C3' | O3' | 160.2° | 98.5° |
| C5' | C4' | O4' | H4' | 123.0° | 122.2° |
| C4' | C5' | H5'' | H5' | 120.3° | 120.0° |
| C5' | C4' | C3' | H3' | 36.9° | 24.0° |
| C1' | C2' | C3' | H2'' | 118.9° | 118.6° |
| C1' | C2' | C3' | H2' | 118.9° | 118.7° |
| C2' | C1' | O4' | H1' | 115.8° | 118.8° |
| C1' | C2' | C3' | C4' | 30.0° | 0.0° |
| C1' | C2' | C3' | O3' | 84.6° | 118.6° |
| C2' | C1' | O4' | C4' | 8.0° | 40.4° |
| C1' | C2' | C3' | H3' | 149.1° | 118.7° |
| C1' | C2' | H2'' | H2' | 123.2° | 122.7° |
| C3' | C2' | C1' | O4' | 14.5° | 23.9° |
| C2' | C3' | C4' | O3' | 117.8° | 118.6° |
| C2' | C3' | C4' | H3' | 119.0° | 118.8° |
| C2' | C3' | O3' | H3' | 125.6° | 122.8° |
| C2' | C3' | C4' | O4' | 36.0° | 23.9° |
| C2' | C3' | C4' | H4' | 156.7° | 95.0° |
| C3' | C2' | H2'' | H2' | 123.1° | 122.7° |
| C3' | C2' | C1' | H1' | 102.0° | 94.8° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.4° |
| C1' | O4' | C4' | C3' | 27.7° | 40.4° |
| C1' | O4' | C4' | H4' | 147.6° | 78.6° |
| O4' | C1' | C2' | H2'' | 133.4° | 94.7° |
| O4' | C1' | C2' | H2' | 104.4° | 142.6° |
| C4' | C3' | O3' | H3' | 122.6° | 122.6° |
| C3' | C4' | O4' | H4' | 120.0° | 118.9° |
| C3' | C4' | C5' | H5'' | 171.2° | 63.4° |
| C3' | C4' | C5' | H5' | 68.6° | 56.5° |
| C4' | C3' | C2' | H2'' | 148.9° | 118.6° |
| C4' | C3' | C2' | H2' | 88.9° | 118.6° |
| C4' | C3' | O3' | HO3' | 68.1° | 180.0° |
| O3' | C3' | C4' | O4' | 81.8° | 142.6° |
| O3' | C3' | C4' | H4' | 39.0° | 23.6° |
| O3' | C3' | C2' | H2'' | 34.3° | 122.8° |
| O3' | C3' | C2' | H2' | 156.5° | 0.0° |
| O4' | C4' | C5' | H5'' | 74.0° | 52.0° |
| O4' | C4' | C5' | H5' | 46.2° | 172.0° |
| O4' | C4' | C3' | H3' | 155.0° | 94.9° |
| C4' | O4' | C1' | H1' | 123.8° | 78.4° |
| HOP2 | OP2 | P | OP3 | 97.4° | 60.0° |
| H5'' | C5' | C4' | H4' | 49.8° | 174.3° |
| H5' | C5' | C4' | H4' | 170.0° | 65.7° |
| H4' | C4' | C3' | H3' | 84.3° | 146.2° |
| H3' | C3' | C2' | H2'' | 91.9° | 0.1° |
| H3' | C3' | C2' | H2' | 30.3° | 122.6° |
| H3' | C3' | O3' | HO3' | 54.4° | 57.4° |
| H2'' | C2' | C1' | H1' | 16.9° | 146.6° |
| H2' | C2' | C1' | H1' | 139.1° | 23.9° |
