84E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| C7 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.42Å | 1.47Å | |
| C4 | N3 | sing | 1.35Å | 1.37Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| N3 | C2 | sing | 1.35Å | 1.37Å | |
| C6 | N1 | sing | 1.37Å | 1.38Å | |
| C2 | N1 | sing | 1.35Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| OP2 | P | sing | 1.61Å | 1.48Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | S4' | sing | 1.81Å | 1.83Å | |
| F2 | C6' | sing | 1.40Å | 1.38Å | |
| F3 | C6' | sing | 1.40Å | 1.38Å | |
| S4' | C6' | sing | 1.81Å | 1.82Å | |
| C6' | F1 | sing | 1.40Å | 1.38Å | |
| OP3 | HP3 | sing | 0.97Å | 0.95Å | |
| OP2 | HP2 | sing | 0.97Å | 0.95Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| P | OP1 | doub | 1.48Å | 1.62Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 127.0° | 120.3° |
| O4 | C4 | N3 | 118.2° | 120.3° |
| C7 | C5 | C4 | 120.7° | 120.5° |
| C7 | C5 | C6 | 118.8° | 120.4° |
| C5 | C7 | H72 | 109.5° | 109.5° |
| C5 | C7 | H73 | 109.5° | 109.5° |
| C5 | C7 | H71 | 109.5° | 109.5° |
| C5 | C4 | N3 | 114.8° | 119.4° |
| C4 | C5 | C6 | 120.4° | 119.1° |
| C4 | N3 | C2 | 125.8° | 120.2° |
| C4 | N3 | H3 | 117.1° | 119.9° |
| C5 | C6 | N1 | 120.8° | 119.7° |
| C5 | C6 | H6 | 119.6° | 120.1° |
| N3 | C2 | N1 | 116.6° | 121.0° |
| N3 | C2 | O2 | 119.1° | 119.5° |
| C2 | N3 | H3 | 117.1° | 119.9° |
| C6 | N1 | C2 | 121.3° | 120.6° |
| C6 | N1 | C1' | 120.3° | 119.7° |
| N1 | C6 | H6 | 119.6° | 120.2° |
| N1 | C2 | O2 | 124.2° | 119.5° |
| C2 | N1 | C1' | 118.4° | 119.7° |
| OP2 | P | O5' | 108.5° | 109.5° |
| OP2 | P | OP3 | 118.8° | 109.5° |
| P | OP2 | HP2 | 109.5° | 114.0° |
| OP2 | P | OP1 | 109.4° | 109.5° |
| N1 | C1' | C2' | 112.8° | 110.8° |
| N1 | C1' | O4' | 110.1° | 110.6° |
| N1 | C1' | H1' | 108.8° | 110.5° |
| C1' | C2' | C3' | 102.9° | 102.1° |
| C2' | C1' | O4' | 107.3° | 103.5° |
| C2' | C1' | H1' | 108.2° | 110.6° |
| C1' | C2' | H2' | 111.1° | 110.9° |
| C1' | C2' | H2'' | 111.1° | 110.9° |
| C2' | C3' | O3' | 112.5° | 110.6° |
| C2' | C3' | C4' | 103.6° | 104.0° |
| C2' | C3' | H3' | 108.7° | 110.6° |
| C3' | C2' | H2' | 111.1° | 110.8° |
| C3' | C2' | H2'' | 111.1° | 111.0° |
| C1' | O4' | C4' | 110.0° | 107.0° |
| O4' | C1' | H1' | 109.7° | 110.6° |
| O5' | P | OP3 | 108.3° | 109.5° |
| P | O5' | C5' | 120.4° | 123.0° |
| O5' | P | OP1 | 103.0° | 109.5° |
| P | OP3 | HP3 | 109.5° | 114.0° |
| OP3 | P | OP1 | 107.7° | 109.4° |
| O5' | C5' | C4' | 115.4° | 109.5° |
| O5' | C5' | H5' | 107.9° | 109.5° |
| O5' | C5' | H5'' | 107.9° | 109.5° |
| O3' | C3' | C4' | 113.4° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O3' | C3' | H3' | 110.0° | 110.5° |
| C3' | C4' | O4' | 107.8° | 107.4° |
| C3' | C4' | C5' | 110.5° | 109.9° |
| C3' | C4' | S4' | 116.2° | 109.9° |
| C4' | C3' | H3' | 108.3° | 110.5° |
| O4' | C4' | C5' | 107.7° | 109.9° |
| O4' | C4' | S4' | 107.8° | 109.8° |
| C5' | C4' | S4' | 106.5° | 109.9° |
| C4' | C5' | H5' | 108.0° | 109.5° |
| C4' | C5' | H5'' | 108.0° | 109.4° |
| C4' | S4' | C6' | 106.9° | 103.0° |
| F2 | C6' | F3 | 108.4° | 109.5° |
| F2 | C6' | S4' | 112.5° | 109.5° |
| F2 | C6' | F1 | 107.2° | 109.4° |
| F3 | C6' | S4' | 111.7° | 109.5° |
| F3 | C6' | F1 | 107.0° | 109.4° |
| S4' | C6' | F1 | 109.8° | 109.5° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H71 | 109.5° | 109.4° |
| H73 | C7 | H71 | 109.5° | 109.5° |
| H2' | C2' | H2'' | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C7 | 2.8° | 0.0° |
| O4 | C4 | C5 | N3 | 179.7° | 180.0° |
| O4 | C4 | C5 | C6 | 177.5° | 180.0° |
| O4 | C4 | N3 | C2 | 179.8° | 179.7° |
| O4 | C4 | N3 | H3 | 0.1° | 0.0° |
| C7 | C5 | C4 | C6 | 179.7° | 180.0° |
| C7 | C5 | C4 | N3 | 176.9° | 180.0° |
| C7 | C5 | C6 | N1 | 178.4° | 180.0° |
| C7 | C5 | C6 | H6 | 1.7° | 0.0° |
| C5 | C7 | H72 | H73 | 120.0° | 120.0° |
| C5 | C7 | H72 | H71 | 120.0° | 120.0° |
| C5 | C7 | H73 | H71 | 120.0° | 120.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.3° |
| C4 | C5 | C6 | N1 | 1.3° | 0.0° |
| C4 | C5 | C6 | H6 | 178.7° | 180.0° |
| C4 | C5 | C7 | H72 | 180.0° | 90.0° |
| C4 | C5 | C7 | H73 | 60.0° | 30.0° |
| C4 | C5 | C7 | H71 | 60.0° | 150.1° |
| C5 | C4 | N3 | H3 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 2.8° | 0.0° |
| C4 | N3 | C2 | H3 | 180.0° | 179.7° |
| C4 | N3 | C2 | N1 | 3.2° | 0.6° |
| C4 | N3 | C2 | O2 | 176.6° | 180.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 2.6° | 0.2° |
| C5 | C6 | N1 | C1' | 177.5° | 180.0° |
| C6 | C5 | C7 | H72 | 0.3° | 90.0° |
| C6 | C5 | C7 | H73 | 119.7° | 150.0° |
| C6 | C5 | C7 | H71 | 120.3° | 29.9° |
| N3 | C2 | N1 | C6 | 4.8° | 0.5° |
| N3 | C2 | N1 | O2 | 179.8° | 179.5° |
| N3 | C2 | N1 | C1' | 175.3° | 179.7° |
| C6 | N1 | C2 | C1' | 179.9° | 179.7° |
| C6 | N1 | C2 | O2 | 175.0° | 180.0° |
| C6 | N1 | C1' | C2' | 51.7° | 119.4° |
| C6 | N1 | C1' | O4' | 68.1° | 126.5° |
| C6 | N1 | C1' | H1' | 171.7° | 3.6° |
| C2 | N1 | C1' | C2' | 128.3° | 60.9° |
| C2 | N1 | C1' | O4' | 112.0° | 53.3° |
| C2 | N1 | C1' | H1' | 8.2° | 176.1° |
| C2 | N1 | C6 | H6 | 177.4° | 179.7° |
| N1 | C2 | N3 | H3 | 176.8° | 179.7° |
| O2 | C2 | N1 | C1' | 4.9° | 0.3° |
| O2 | C2 | N3 | H3 | 3.4° | 0.3° |
| OP2 | P | O5' | OP3 | 130.2° | 120.0° |
| OP2 | P | O5' | OP1 | 115.9° | 120.0° |
| OP2 | P | OP3 | OP1 | 125.0° | 120.0° |
| OP2 | P | O5' | C5' | 177.9° | 175.0° |
| OP2 | P | OP3 | HP3 | 124.9° | 60.1° |
| N1 | C1' | C2' | O4' | 121.4° | 118.6° |
| N1 | C1' | C2' | H1' | 120.4° | 122.9° |
| N1 | C1' | C2' | C3' | 150.6° | 155.7° |
| N1 | C1' | O4' | H1' | 119.6° | 122.8° |
| N1 | C1' | O4' | C4' | 144.2° | 158.7° |
| C1' | N1 | C6 | H6 | 2.5° | 0.0° |
| N1 | C1' | C2' | H2' | 90.4° | 86.2° |
| N1 | C1' | C2' | H2'' | 31.7° | 37.4° |
| C1' | C2' | C3' | H2' | 118.9° | 118.2° |
| C1' | C2' | C3' | H2'' | 119.0° | 118.3° |
| C2' | C1' | O4' | H1' | 117.3° | 118.5° |
| C1' | C2' | C3' | O3' | 97.4° | 97.7° |
| C1' | C2' | C3' | C4' | 25.5° | 21.0° |
| C2' | C1' | O4' | C4' | 21.1° | 40.1° |
| C1' | C2' | C3' | H3' | 140.5° | 139.6° |
| C1' | C2' | H2' | H2'' | 123.1° | 123.7° |
| C3' | C2' | C1' | O4' | 29.3° | 37.1° |
| C2' | C3' | O3' | C4' | 117.2° | 114.6° |
| C2' | C3' | O3' | H3' | 121.3° | 122.8° |
| C2' | C3' | C4' | H3' | 115.3° | 118.7° |
| C2' | C3' | C4' | O4' | 14.3° | 1.9° |
| C2' | C3' | C4' | C5' | 103.1° | 121.4° |
| C2' | C3' | C4' | S4' | 135.4° | 117.6° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.4° |
| C3' | C2' | C1' | H1' | 89.0° | 81.4° |
| C3' | C2' | H2' | H2'' | 123.0° | 123.6° |
| C1' | O4' | C4' | C3' | 4.1° | 26.4° |
| C1' | O4' | C4' | C5' | 123.3° | 145.9° |
| C1' | O4' | C4' | S4' | 122.1° | 93.1° |
| O4' | C1' | C2' | H2' | 148.2° | 155.2° |
| O4' | C1' | C2' | H2'' | 89.7° | 81.2° |
| O5' | P | OP3 | OP1 | 110.7° | 120.0° |
| P | O5' | C5' | C4' | 176.2° | 180.0° |
| O5' | P | OP3 | HP3 | 110.7° | 60.0° |
| O5' | P | OP2 | HP2 | 111.6° | 180.0° |
| P | O5' | C5' | H5' | 55.3° | 60.0° |
| P | O5' | C5' | H5'' | 62.9° | 60.0° |
| OP3 | P | O5' | C5' | 51.8° | 65.0° |
| OP3 | P | OP2 | HP2 | 124.2° | 60.0° |
| O5' | C5' | C4' | C3' | 51.0° | 59.7° |
| O5' | C5' | C4' | O4' | 66.4° | 58.3° |
| O5' | C5' | C4' | H5' | 120.8° | 120.0° |
| O5' | C5' | C4' | H5'' | 120.9° | 120.0° |
| O5' | C5' | C4' | S4' | 178.1° | 179.3° |
| O5' | C5' | H5' | H5'' | 117.3° | 120.0° |
| C5' | O5' | P | OP1 | 62.1° | 55.0° |
| O3' | C3' | C4' | H3' | 122.4° | 122.5° |
| O3' | C3' | C4' | O4' | 108.0° | 120.6° |
| O3' | C3' | C4' | C5' | 134.6° | 119.9° |
| O3' | C3' | C4' | S4' | 13.1° | 1.2° |
| O3' | C3' | C2' | H2' | 21.5° | 20.5° |
| O3' | C3' | C2' | H2'' | 143.6° | 144.1° |
| C3' | C4' | O4' | C5' | 119.2° | 119.5° |
| C3' | C4' | O4' | S4' | 126.2° | 119.5° |
| C3' | C4' | C5' | S4' | 127.1° | 121.0° |
| C3' | C4' | S4' | C6' | 88.4° | 174.7° |
| C4' | C3' | O3' | HO3' | 62.8° | 180.0° |
| C3' | C4' | C5' | H5' | 69.8° | 60.3° |
| C3' | C4' | C5' | H5'' | 171.9° | 179.7° |
| C4' | C3' | C2' | H2' | 144.5° | 139.2° |
| C4' | C3' | C2' | H2'' | 93.5° | 97.2° |
| O4' | C4' | C5' | S4' | 115.5° | 121.0° |
| O4' | C4' | S4' | C6' | 32.6° | 56.7° |
| O4' | C4' | C5' | H5' | 172.7° | 178.3° |
| O4' | C4' | C5' | H5'' | 54.4° | 61.7° |
| C4' | O4' | C1' | H1' | 96.2° | 78.4° |
| O4' | C4' | C3' | H3' | 129.6° | 116.8° |
| C5' | C4' | S4' | C6' | 147.9° | 64.3° |
| C4' | C5' | H5' | H5'' | 117.3° | 120.0° |
| C5' | C4' | C3' | H3' | 12.2° | 2.7° |
| C4' | S4' | C6' | F2 | 52.3° | 180.0° |
| C4' | S4' | C6' | F3 | 69.9° | 60.0° |
| C4' | S4' | C6' | F1 | 171.5° | 60.0° |
| S4' | C4' | C5' | H5' | 57.3° | 60.7° |
| S4' | C4' | C5' | H5'' | 61.0° | 59.2° |
| S4' | C4' | C3' | H3' | 109.3° | 123.7° |
| F2 | C6' | F3 | S4' | 124.5° | 120.0° |
| F2 | C6' | F3 | F1 | 115.3° | 119.9° |
| F2 | C6' | S4' | F1 | 119.2° | 120.0° |
| F3 | C6' | S4' | F1 | 118.6° | 120.0° |
| HP3 | OP3 | P | OP1 | 0.0° | 179.9° |
| HP2 | OP2 | P | OP1 | 0.0° | 60.0° |
| HO3' | O3' | C3' | H3' | 58.6° | 57.4° |
| H1' | C1' | C2' | H2' | 29.9° | 36.7° |
| H1' | C1' | C2' | H2'' | 152.0° | 160.3° |
| H72 | C7 | H73 | H71 | 120.0° | 120.0° |
| H3' | C3' | C2' | H2' | 100.5° | 102.2° |
| H3' | C3' | C2' | H2'' | 21.6° | 21.4° |
