EIT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP3 | sing | 1.62Å | 1.50Å | |
| P | OP2 | sing | 1.62Å | 1.44Å | |
| P | O5' | sing | 1.62Å | 1.60Å | |
| P | OP1 | doub | 1.50Å | 11.95Å | |
| OP3 | HOP3 | sing | 0.98Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.98Å | 0.95Å | |
| O5' | C5' | sing | 1.42Å | 1.44Å | |
| C5' | C4' | sing | 1.52Å | 1.51Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.52Å | 1.52Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | N1 | sing | 1.43Å | 1.48Å | |
| C1' | C2' | sing | 1.52Å | 1.52Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C6 | sing | 1.39Å | 1.39Å | |
| N1 | C2 | sing | 1.41Å | 1.39Å | |
| C6 | C5 | doub | 1.34Å | 1.34Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | O2 | doub | 1.23Å | 1.22Å | |
| C2 | N3 | sing | 1.40Å | 1.37Å | |
| N3 | C4 | sing | 1.39Å | 1.38Å | |
| N3 | HN3 | sing | 1.02Å | 1.02Å | |
| C4 | O4 | doub | 1.23Å | 1.21Å | |
| C4 | C5 | sing | 1.49Å | 1.44Å | |
| C5 | C5M | sing | 1.50Å | 1.50Å | |
| C5M | H71 | sing | 1.09Å | 1.12Å | |
| C5M | H72 | sing | 1.09Å | 1.11Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C2' | O2' | sing | 1.41Å | 1.43Å | |
| C2' | C3' | sing | 1.51Å | 1.51Å | |
| C2' | H2' | sing | 1.10Å | 1.12Å | |
| O2' | CB' | sing | 1.42Å | 1.43Å | |
| CB' | CC' | sing | 1.52Å | 1.54Å | |
| CB' | HB'1 | sing | 1.09Å | 1.11Å | |
| CB' | HB'2 | sing | 1.09Å | 1.11Å | |
| CC' | ND' | sing | 1.46Å | 1.48Å | |
| CC' | HC'1 | sing | 1.10Å | 1.11Å | |
| CC' | HC'2 | sing | 1.10Å | 1.12Å | |
| ND' | CE' | sing | 1.36Å | 1.36Å | Aromatic |
| ND' | CH' | sing | 1.36Å | 1.38Å | Aromatic |
| CE' | NF' | doub | 1.31Å | 1.32Å | Aromatic |
| CE' | HE' | sing | 1.08Å | 1.10Å | |
| NF' | CG' | sing | 1.37Å | 1.37Å | Aromatic |
| CG' | CH' | doub | 1.38Å | 1.38Å | Aromatic |
| CG' | HG' | sing | 1.08Å | 1.10Å | |
| CH' | HH' | sing | 1.08Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | P | OP2 | 119.5° | 103.3° |
| OP3 | P | O5' | 108.5° | 103.8° |
| OP3 | P | OP1 | 127.5° | 115.3° |
| P | OP3 | HOP3 | 119.6° | 119.0° |
| OP2 | P | O5' | 107.9° | 102.9° |
| OP2 | P | OP1 | 104.7° | 114.9° |
| P | OP2 | HOP2 | 119.6° | 119.0° |
| O5' | P | OP1 | 80.7° | 115.0° |
| P | O5' | C5' | 120.6° | 118.5° |
| O5' | C5' | C4' | 110.5° | 108.6° |
| O5' | C5' | H5' | 111.8° | 109.2° |
| O5' | C5' | H5'' | 111.8° | 109.3° |
| C4' | C5' | H5' | 111.8° | 110.1° |
| C4' | C5' | H5'' | 111.8° | 110.1° |
| C5' | C4' | O4' | 109.6° | 108.2° |
| C5' | C4' | C3' | 117.1° | 113.3° |
| C5' | C4' | H4' | 102.2° | 109.3° |
| H5' | C5' | H5'' | 98.6° | 109.6° |
| O4' | C4' | C3' | 102.8° | 105.9° |
| O4' | C4' | H4' | 116.7° | 107.7° |
| C4' | O4' | C1' | 109.8° | 109.2° |
| C3' | C4' | H4' | 109.1° | 112.2° |
| C4' | C3' | C2' | 102.1° | 102.1° |
| C4' | C3' | O3' | 114.7° | 107.9° |
| C4' | C3' | H3' | 112.1° | 114.5° |
| O4' | C1' | N1 | 109.4° | 109.0° |
| O4' | C1' | C2' | 107.4° | 106.5° |
| O4' | C1' | H1' | 111.2° | 108.9° |
| N1 | C1' | C2' | 110.5° | 112.5° |
| N1 | C1' | H1' | 108.1° | 107.3° |
| C1' | N1 | C6 | 122.1° | 118.5° |
| C1' | N1 | C2 | 116.8° | 121.3° |
| C2' | C1' | H1' | 110.2° | 112.6° |
| C1' | C2' | O2' | 106.1° | 112.6° |
| C1' | C2' | C3' | 100.1° | 102.0° |
| C1' | C2' | H2' | 117.0° | 111.1° |
| C6 | N1 | C2 | 121.1° | 120.2° |
| N1 | C6 | C5 | 123.1° | 124.5° |
| N1 | C6 | H6 | 120.3° | 114.7° |
| N1 | C2 | O2 | 123.0° | 123.8° |
| N1 | C2 | N3 | 114.8° | 115.1° |
| C5 | C6 | H6 | 116.7° | 120.7° |
| C6 | C5 | C4 | 118.4° | 118.4° |
| C6 | C5 | C5M | 123.1° | 123.6° |
| O2 | C2 | N3 | 122.1° | 121.1° |
| C2 | N3 | C4 | 126.9° | 127.0° |
| C2 | N3 | HN3 | 115.8° | 116.4° |
| C4 | N3 | HN3 | 117.3° | 116.6° |
| N3 | C4 | O4 | 119.8° | 123.6° |
| N3 | C4 | C5 | 115.6° | 114.8° |
| O4 | C4 | C5 | 124.5° | 121.6° |
| C4 | C5 | C5M | 118.4° | 118.0° |
| C5 | C5M | H71 | 107.3° | 109.7° |
| C5 | C5M | H72 | 123.1° | 109.8° |
| C5 | C5M | H73 | 107.4° | 109.7° |
| H71 | C5M | H72 | 107.4° | 109.4° |
| H71 | C5M | H73 | 102.4° | 109.4° |
| H72 | C5M | H73 | 107.4° | 108.9° |
| O2' | C2' | C3' | 108.7° | 112.3° |
| O2' | C2' | H2' | 109.5° | 108.6° |
| C2' | O2' | CB' | 120.5° | 111.9° |
| C3' | C2' | H2' | 114.7° | 110.1° |
| C2' | C3' | O3' | 112.3° | 110.3° |
| C2' | C3' | H3' | 114.4° | 114.0° |
| O2' | CB' | CC' | 106.9° | 109.7° |
| O2' | CB' | HB'1 | 113.2° | 107.8° |
| O2' | CB' | HB'2 | 113.2° | 108.7° |
| CC' | CB' | HB'1 | 113.2° | 109.8° |
| CC' | CB' | HB'2 | 113.2° | 111.9° |
| CB' | CC' | ND' | 120.0° | 112.5° |
| CB' | CC' | HC'1 | 108.4° | 111.2° |
| CB' | CC' | HC'2 | 108.5° | 110.5° |
| HB'1 | CB' | HB'2 | 97.3° | 108.8° |
| ND' | CC' | HC'1 | 108.4° | 107.5° |
| ND' | CC' | HC'2 | 108.4° | 107.1° |
| CC' | ND' | CE' | 126.2° | 125.6° |
| CC' | ND' | CH' | 123.1° | 125.6° |
| HC'1 | CC' | HC'2 | 101.6° | 107.9° |
| CE' | ND' | CH' | 110.7° | 108.7° |
| ND' | CE' | NF' | 109.6° | 111.2° |
| ND' | CE' | HE' | 126.3° | 123.1° |
| ND' | CH' | CG' | 101.5° | 104.2° |
| ND' | CH' | HH' | 129.2° | 123.3° |
| NF' | CE' | HE' | 124.1° | 125.7° |
| CE' | NF' | CG' | 105.1° | 104.7° |
| NF' | CG' | CH' | 113.1° | 111.2° |
| NF' | CG' | HG' | 123.1° | 121.3° |
| CH' | CG' | HG' | 123.8° | 127.6° |
| CG' | CH' | HH' | 129.2° | 132.6° |
| O3' | C3' | H3' | 101.8° | 107.8° |
| C3' | O3' | HO3' | 114.7° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | OP2 | O5' | 124.4° | 107.7° |
| OP3 | P | OP2 | OP1 | 150.8° | 126.5° |
| OP3 | P | O5' | OP1 | 126.6° | 126.9° |
| OP3 | P | OP2 | HOP2 | 180.0° | 78.5° |
| OP3 | P | O5' | C5' | 47.4° | 53.2° |
| OP2 | P | O5' | OP1 | 102.6° | 125.8° |
| OP2 | P | OP3 | HOP3 | 180.0° | 77.5° |
| OP2 | P | O5' | C5' | 178.3° | 54.2° |
| O5' | P | OP3 | HOP3 | 55.8° | 175.4° |
| O5' | P | OP2 | HOP2 | 55.5° | 173.8° |
| P | O5' | C5' | C4' | 173.2° | 180.0° |
| P | O5' | C5' | H5' | 48.0° | 59.9° |
| P | O5' | C5' | H5'' | 61.5° | 59.9° |
| OP1 | P | OP3 | HOP3 | 36.6° | 48.7° |
| OP1 | P | OP2 | HOP2 | 29.3° | 48.0° |
| OP1 | P | O5' | C5' | 79.2° | 179.9° |
| O5' | C5' | C4' | H5' | 125.3° | 119.5° |
| O5' | C5' | C4' | H5'' | 125.3° | 119.6° |
| O5' | C5' | H5' | H5'' | 117.7° | 119.6° |
| O5' | C5' | C4' | O4' | 65.4° | 62.4° |
| O5' | C5' | C4' | C3' | 51.1° | 179.5° |
| O5' | C5' | C4' | H4' | 170.2° | 54.6° |
| C4' | C5' | H5' | H5'' | 117.8° | 121.2° |
| C5' | C4' | O4' | C3' | 125.2° | 121.7° |
| C5' | C4' | O4' | H4' | 115.5° | 118.1° |
| C5' | C4' | C3' | H4' | 115.4° | 124.4° |
| C5' | C4' | O4' | C1' | 148.3° | 109.0° |
| C5' | C4' | C3' | C2' | 159.7° | 86.9° |
| C5' | C4' | C3' | O3' | 78.5° | 156.8° |
| C5' | C4' | C3' | H3' | 36.9° | 36.8° |
| H5' | C5' | C4' | O4' | 59.8° | 57.1° |
| H5' | C5' | C4' | C3' | 176.3° | 60.0° |
| H5' | C5' | C4' | H4' | 64.5° | 174.1° |
| H5'' | C5' | C4' | O4' | 169.3° | 178.0° |
| H5'' | C5' | C4' | C3' | 74.2° | 60.9° |
| H5'' | C5' | C4' | H4' | 44.9° | 65.0° |
| O4' | C4' | C3' | H4' | 124.4° | 117.2° |
| C4' | O4' | C1' | N1 | 117.4° | 132.9° |
| C4' | O4' | C1' | C2' | 2.6° | 11.3° |
| C4' | O4' | C1' | H1' | 123.2° | 110.3° |
| O4' | C4' | C3' | C2' | 39.6° | 31.5° |
| O4' | C4' | C3' | O3' | 161.3° | 84.7° |
| O4' | C4' | C3' | H3' | 83.3° | 155.2° |
| C3' | C4' | O4' | C1' | 23.1° | 12.8° |
| C4' | C3' | C2' | C1' | 39.9° | 37.1° |
| C4' | C3' | C2' | O2' | 71.0° | 158.0° |
| C4' | C3' | C2' | O3' | 123.3° | 114.5° |
| C4' | C3' | C2' | H3' | 121.3° | 124.0° |
| C4' | C3' | C2' | H2' | 166.0° | 80.9° |
| C4' | C3' | O3' | H3' | 121.2° | 124.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 15.2° |
| H4' | C4' | O4' | C1' | 96.2° | 133.0° |
| H4' | C4' | C3' | C2' | 84.8° | 148.7° |
| H4' | C4' | C3' | O3' | 36.9° | 32.5° |
| H4' | C4' | C3' | H3' | 152.3° | 87.6° |
| O4' | C1' | N1 | C2' | 118.1° | 117.9° |
| O4' | C1' | N1 | H1' | 121.3° | 117.7° |
| O4' | C1' | C2' | H1' | 121.3° | 119.3° |
| O4' | C1' | N1 | C6 | 23.1° | 32.3° |
| O4' | C1' | N1 | C2 | 157.5° | 147.8° |
| O4' | C1' | C2' | O2' | 85.9° | 151.3° |
| O4' | C1' | C2' | C3' | 27.1° | 30.7° |
| O4' | C1' | C2' | H2' | 151.6° | 86.6° |
| N1 | C1' | C2' | H1' | 119.4° | 121.4° |
| C1' | N1 | C6 | C2 | 179.3° | 179.9° |
| C1' | N1 | C6 | C5 | 178.7° | 180.0° |
| C1' | N1 | C6 | H6 | 1.3° | 0.0° |
| C1' | N1 | C2 | O2 | 0.2° | 0.1° |
| C1' | N1 | C2 | N3 | 179.3° | 180.0° |
| N1 | C1' | C2' | O2' | 154.8° | 89.4° |
| N1 | C1' | C2' | C3' | 92.2° | 150.0° |
| N1 | C1' | C2' | H2' | 32.3° | 32.7° |
| C2' | C1' | N1 | C6 | 94.9° | 85.6° |
| C2' | C1' | N1 | C2 | 84.4° | 94.3° |
| C1' | C2' | O2' | C3' | 106.9° | 114.5° |
| C1' | C2' | O2' | H2' | 127.1° | 123.5° |
| C1' | C2' | C3' | H2' | 126.1° | 118.0° |
| C1' | C2' | O2' | CB' | 70.4° | 174.5° |
| C1' | C2' | C3' | O3' | 163.3° | 77.4° |
| C1' | C2' | C3' | H3' | 81.4° | 161.1° |
| H1' | C1' | N1 | C6 | 144.4° | 150.0° |
| H1' | C1' | N1 | C2 | 36.2° | 30.1° |
| H1' | C1' | C2' | O2' | 35.3° | 32.1° |
| H1' | C1' | C2' | C3' | 148.3° | 88.5° |
| H1' | C1' | C2' | H2' | 87.1° | 154.2° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| N1 | C6 | C5 | C5M | 179.1° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| N1 | C2 | O2 | N3 | 179.4° | 179.9° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.6° | 179.9° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C6 | C5 | C4 | O4 | 179.9° | 180.0° |
| C6 | C5 | C4 | C5M | 179.8° | 180.0° |
| C6 | C5 | C5M | H71 | 54.7° | 64.2° |
| C6 | C5 | C5M | H72 | 180.0° | 56.0° |
| C6 | C5 | C5M | H73 | 54.7° | 175.6° |
| H6 | C6 | C5 | C4 | 179.4° | 180.0° |
| H6 | C6 | C5 | C5M | 0.9° | 0.0° |
| O2 | C2 | N3 | C4 | 179.0° | 179.9° |
| O2 | C2 | N3 | HN3 | 1.0° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 179.6° | 179.9° |
| C2 | N3 | C4 | C5 | 0.4° | 0.1° |
| N3 | C4 | O4 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C5M | 179.6° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.4° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.6° | 180.0° |
| O4 | C4 | C5 | C5M | 0.4° | 0.0° |
| C4 | C5 | C5M | H71 | 125.0° | 115.8° |
| C4 | C5 | C5M | H72 | 0.2° | 124.0° |
| C4 | C5 | C5M | H73 | 125.5° | 4.4° |
| C5 | C5M | H71 | H72 | 134.2° | 120.5° |
| C5 | C5M | H71 | H73 | 112.9° | 120.4° |
| C5 | C5M | H72 | H73 | 125.3° | 120.1° |
| H71 | C5M | H72 | H73 | 109.5° | 119.5° |
| O2' | C2' | C3' | H2' | 122.9° | 121.1° |
| C2' | O2' | CB' | CC' | 158.3° | 179.5° |
| C2' | O2' | CB' | HB'1 | 33.1° | 59.9° |
| C2' | O2' | CB' | HB'2 | 76.4° | 57.9° |
| O2' | C2' | C3' | O3' | 52.3° | 43.5° |
| O2' | C2' | C3' | H3' | 167.7° | 78.0° |
| C3' | C2' | O2' | CB' | 177.3° | 60.0° |
| C2' | C3' | O3' | H3' | 122.8° | 125.1° |
| C2' | C3' | O3' | HO3' | 64.0° | 95.6° |
| H2' | C2' | O2' | CB' | 56.7° | 62.0° |
| H2' | C2' | C3' | O3' | 70.6° | 164.6° |
| H2' | C2' | C3' | H3' | 44.7° | 43.1° |
| O2' | CB' | CC' | HB'1 | 125.3° | 118.3° |
| O2' | CB' | CC' | HB'2 | 125.3° | 120.7° |
| O2' | CB' | HB'1 | HB'2 | 119.1° | 117.7° |
| O2' | CB' | CC' | ND' | 29.8° | 61.7° |
| O2' | CB' | CC' | HC'1 | 155.1° | 59.0° |
| O2' | CB' | CC' | HC'2 | 95.4° | 178.7° |
| CC' | CB' | HB'1 | HB'2 | 119.1° | 122.8° |
| CB' | CC' | ND' | HC'1 | 125.3° | 122.7° |
| CB' | CC' | ND' | HC'2 | 125.3° | 121.6° |
| CB' | CC' | HC'1 | HC'2 | 114.1° | 121.3° |
| CB' | CC' | ND' | CE' | 72.2° | 90.0° |
| CB' | CC' | ND' | CH' | 105.8° | 90.0° |
| HB'1 | CB' | CC' | ND' | 95.4° | 180.0° |
| HB'1 | CB' | CC' | HC'1 | 29.8° | 59.3° |
| HB'1 | CB' | CC' | HC'2 | 139.3° | 60.4° |
| HB'2 | CB' | CC' | ND' | 155.1° | 59.0° |
| HB'2 | CB' | CC' | HC'1 | 79.6° | 179.7° |
| HB'2 | CB' | CC' | HC'2 | 29.9° | 60.6° |
| ND' | CC' | HC'1 | HC'2 | 114.1° | 115.2° |
| CC' | ND' | CE' | CH' | 178.2° | 180.0° |
| CC' | ND' | CE' | NF' | 178.0° | 180.0° |
| CC' | ND' | CE' | HE' | 2.0° | 0.0° |
| CC' | ND' | CH' | CG' | 178.0° | 180.0° |
| CC' | ND' | CH' | HH' | 2.0° | 0.1° |
| HC'1 | CC' | ND' | CE' | 162.6° | 147.3° |
| HC'1 | CC' | ND' | CH' | 19.5° | 32.7° |
| HC'2 | CC' | ND' | CE' | 53.1° | 31.6° |
| HC'2 | CC' | ND' | CH' | 128.9° | 148.4° |
| ND' | CE' | NF' | HE' | 180.0° | 180.0° |
| ND' | CE' | NF' | CG' | 0.0° | 0.0° |
| CE' | ND' | CH' | CG' | 0.3° | 0.0° |
| CE' | ND' | CH' | HH' | 179.7° | 180.0° |
| CH' | ND' | CE' | NF' | 0.2° | 0.0° |
| CH' | ND' | CE' | HE' | 179.8° | 180.0° |
| ND' | CH' | CG' | NF' | 0.2° | 0.0° |
| ND' | CH' | CG' | HH' | 180.0° | 179.9° |
| ND' | CH' | CG' | HG' | 179.8° | 180.0° |
| CE' | NF' | CG' | CH' | 0.1° | 0.0° |
| CE' | NF' | CG' | HG' | 179.9° | 180.0° |
| HE' | CE' | NF' | CG' | 180.0° | 180.0° |
| NF' | CG' | CH' | HG' | 180.0° | 180.0° |
| NF' | CG' | CH' | HH' | 179.7° | 179.9° |
| HG' | CG' | CH' | HH' | 0.3° | 0.1° |
| H3' | C3' | O3' | HO3' | 58.8° | 139.4° |
