DIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.47Å | |
| N | C1' | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 1.01Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C1' | C2' | sing | 1.53Å | 1.54Å | |
| C1' | H1'1 | sing | 1.09Å | 1.12Å | |
| C1' | H1'2 | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.53Å | 1.50Å | |
| C3' | H3'1 | sing | 1.09Å | 1.12Å | |
| C3' | H3'2 | sing | 1.09Å | 1.12Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4'1 | sing | 1.09Å | 1.12Å | |
| C4' | H4'2 | sing | 1.09Å | 1.11Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C5' | H5'3 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | C1' | 120.0° | 106.7° |
| C1 | N | HN | 108.5° | 106.7° |
| N | C1 | C2 | 102.3° | 109.5° |
| N | C1 | H11 | 114.9° | 109.5° |
| N | C1 | H12 | 114.9° | 109.5° |
| C1' | N | HN | 108.4° | 106.7° |
| N | C1' | C2' | 108.6° | 109.5° |
| N | C1' | H1'1 | 112.5° | 109.5° |
| N | C1' | H1'2 | 112.6° | 109.5° |
| C2 | C1 | H11 | 115.0° | 109.5° |
| C2 | C1 | H12 | 115.0° | 109.4° |
| C1 | C2 | C3 | 109.7° | 109.5° |
| C1 | C2 | H21 | 112.1° | 109.5° |
| C1 | C2 | H22 | 112.1° | 109.5° |
| H11 | C1 | H12 | 95.5° | 109.5° |
| C3 | C2 | H21 | 112.2° | 109.4° |
| C3 | C2 | H22 | 112.2° | 109.4° |
| C2 | C3 | C4 | 107.9° | 109.5° |
| C2 | C3 | H31 | 112.8° | 109.5° |
| C2 | C3 | H32 | 112.8° | 109.5° |
| H21 | C2 | H22 | 98.2° | 109.5° |
| C4 | C3 | H31 | 112.8° | 109.5° |
| C4 | C3 | H32 | 112.8° | 109.4° |
| C3 | C4 | C5 | 113.2° | 109.5° |
| C3 | C4 | H41 | 110.8° | 109.5° |
| C3 | C4 | H42 | 110.9° | 109.4° |
| H31 | C3 | H32 | 97.7° | 109.4° |
| C5 | C4 | H41 | 110.8° | 109.5° |
| C5 | C4 | H42 | 110.9° | 109.4° |
| C4 | C5 | H51 | 113.2° | 109.6° |
| C4 | C5 | H52 | 110.9° | 109.4° |
| C4 | C5 | H53 | 110.9° | 109.5° |
| H41 | C4 | H42 | 99.5° | 109.5° |
| H51 | C5 | H52 | 110.9° | 109.4° |
| H51 | C5 | H53 | 110.8° | 109.5° |
| H52 | C5 | H53 | 99.4° | 109.5° |
| C2' | C1' | H1'1 | 112.5° | 109.5° |
| C2' | C1' | H1'2 | 112.5° | 109.4° |
| C1' | C2' | C3' | 116.1° | 109.5° |
| C1' | C2' | H2'1 | 109.8° | 109.5° |
| C1' | C2' | H2'2 | 109.8° | 109.5° |
| H1'1 | C1' | H1'2 | 97.9° | 109.5° |
| C3' | C2' | H2'1 | 109.8° | 109.4° |
| C3' | C2' | H2'2 | 109.8° | 109.4° |
| C2' | C3' | C4' | 104.8° | 109.5° |
| C2' | C3' | H3'1 | 114.0° | 109.5° |
| C2' | C3' | H3'2 | 114.0° | 109.5° |
| H2'1 | C2' | H2'2 | 100.4° | 109.5° |
| C4' | C3' | H3'1 | 114.0° | 109.5° |
| C4' | C3' | H3'2 | 114.0° | 109.4° |
| C3' | C4' | C5' | 108.9° | 109.5° |
| C3' | C4' | H4'1 | 112.4° | 109.5° |
| C3' | C4' | H4'2 | 112.4° | 109.4° |
| H3'1 | C3' | H3'2 | 96.5° | 109.4° |
| C5' | C4' | H4'1 | 112.4° | 109.5° |
| C5' | C4' | H4'2 | 112.4° | 109.4° |
| C4' | C5' | H5'1 | 108.9° | 109.6° |
| C4' | C5' | H5'2 | 112.4° | 109.5° |
| C4' | C5' | H5'3 | 112.4° | 109.4° |
| H4'1 | C4' | H4'2 | 98.1° | 109.5° |
| H5'1 | C5' | H5'2 | 112.4° | 109.5° |
| H5'1 | C5' | H5'3 | 112.5° | 109.4° |
| H5'2 | C5' | H5'3 | 98.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | C1' | HN | 125.3° | 113.8° |
| N | C1 | C2 | H11 | 125.2° | 120.0° |
| N | C1 | C2 | H12 | 125.3° | 120.0° |
| N | C1 | H11 | H12 | 120.8° | 120.0° |
| N | C1 | C2 | C3 | 172.4° | 180.0° |
| N | C1 | C2 | H21 | 47.1° | 59.9° |
| N | C1 | C2 | H22 | 62.3° | 60.1° |
| C1 | N | C1' | C2' | 68.2° | 180.0° |
| C1 | N | C1' | H1'1 | 166.6° | 60.0° |
| C1 | N | C1' | H1'2 | 57.1° | 60.0° |
| C1' | N | C1 | C2 | 100.7° | 180.0° |
| C1' | N | C1 | H11 | 134.1° | 60.0° |
| C1' | N | C1 | H12 | 24.6° | 60.0° |
| N | C1' | C2' | H1'1 | 125.3° | 120.0° |
| N | C1' | C2' | H1'2 | 125.3° | 120.0° |
| N | C1' | H1'1 | H1'2 | 118.5° | 120.0° |
| N | C1' | C2' | C3' | 78.9° | 180.0° |
| N | C1' | C2' | H2'1 | 155.9° | 59.9° |
| N | C1' | C2' | H2'2 | 46.4° | 60.1° |
| HN | N | C1 | C2 | 24.6° | 66.2° |
| HN | N | C1 | H11 | 100.7° | 173.8° |
| HN | N | C1 | H12 | 149.9° | 53.8° |
| HN | N | C1' | C2' | 166.5° | 66.2° |
| HN | N | C1' | H1'1 | 41.3° | 173.8° |
| HN | N | C1' | H1'2 | 68.2° | 53.8° |
| C2 | C1 | H11 | H12 | 120.9° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.0° | 120.0° |
| C1 | C2 | C3 | C4 | 156.2° | 180.0° |
| C1 | C2 | C3 | H31 | 30.9° | 59.9° |
| C1 | C2 | C3 | H32 | 78.5° | 60.0° |
| H11 | C1 | C2 | C3 | 62.4° | 60.0° |
| H11 | C1 | C2 | H21 | 172.3° | 180.0° |
| H11 | C1 | C2 | H22 | 62.9° | 60.0° |
| H12 | C1 | C2 | C3 | 47.1° | 60.0° |
| H12 | C1 | C2 | H21 | 78.2° | 60.0° |
| H12 | C1 | C2 | H22 | 172.4° | 180.0° |
| C3 | C2 | H21 | H22 | 118.1° | 119.9° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 118.7° | 120.0° |
| C2 | C3 | C4 | C5 | 60.0° | 180.0° |
| C2 | C3 | C4 | H41 | 65.2° | 59.9° |
| C2 | C3 | C4 | H42 | 174.7° | 60.0° |
| H21 | C2 | C3 | C4 | 78.5° | 59.9° |
| H21 | C2 | C3 | H31 | 156.2° | 180.0° |
| H21 | C2 | C3 | H32 | 46.7° | 60.1° |
| H22 | C2 | C3 | C4 | 30.9° | 60.0° |
| H22 | C2 | C3 | H31 | 94.3° | 60.1° |
| H22 | C2 | C3 | H32 | 156.2° | 180.0° |
| C4 | C3 | H31 | H32 | 118.7° | 119.9° |
| C3 | C4 | C5 | H41 | 125.3° | 120.1° |
| C3 | C4 | C5 | H42 | 125.3° | 119.9° |
| C3 | C4 | H41 | H42 | 116.7° | 119.9° |
| C3 | C4 | C5 | H51 | 180.0° | 180.0° |
| C3 | C4 | C5 | H52 | 54.7° | 60.0° |
| C3 | C4 | C5 | H53 | 54.7° | 59.9° |
| H31 | C3 | C4 | C5 | 174.7° | 59.9° |
| H31 | C3 | C4 | H41 | 60.0° | 180.0° |
| H31 | C3 | C4 | H42 | 49.4° | 60.0° |
| H32 | C3 | C4 | C5 | 65.2° | 60.1° |
| H32 | C3 | C4 | H41 | 169.5° | 60.1° |
| H32 | C3 | C4 | H42 | 60.1° | 180.0° |
| C5 | C4 | H41 | H42 | 116.7° | 119.9° |
| C4 | C5 | H51 | H52 | 125.4° | 119.9° |
| C4 | C5 | H51 | H53 | 125.2° | 120.1° |
| C4 | C5 | H52 | H53 | 116.7° | 119.9° |
| H41 | C4 | C5 | H51 | 54.7° | 59.9° |
| H41 | C4 | C5 | H52 | 179.9° | 60.1° |
| H41 | C4 | C5 | H53 | 70.5° | 180.0° |
| H42 | C4 | C5 | H51 | 54.7° | 60.1° |
| H42 | C4 | C5 | H52 | 70.6° | 180.0° |
| H42 | C4 | C5 | H53 | 180.0° | 60.1° |
| H51 | C5 | H52 | H53 | 116.6° | 120.0° |
| C2' | C1' | H1'1 | H1'2 | 118.4° | 120.0° |
| C1' | C2' | C3' | H2'1 | 125.2° | 120.1° |
| C1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
| C1' | C2' | H2'1 | H2'2 | 115.6° | 120.0° |
| C1' | C2' | C3' | C4' | 168.0° | 180.0° |
| C1' | C2' | C3' | H3'1 | 42.7° | 59.9° |
| C1' | C2' | C3' | H3'2 | 66.7° | 60.0° |
| H1'1 | C1' | C2' | C3' | 46.4° | 60.0° |
| H1'1 | C1' | C2' | H2'1 | 78.8° | 180.0° |
| H1'1 | C1' | C2' | H2'2 | 171.7° | 60.0° |
| H1'2 | C1' | C2' | C3' | 155.8° | 60.0° |
| H1'2 | C1' | C2' | H2'1 | 30.6° | 60.0° |
| H1'2 | C1' | C2' | H2'2 | 78.9° | 180.0° |
| C3' | C2' | H2'1 | H2'2 | 115.6° | 119.9° |
| C2' | C3' | C4' | H3'1 | 125.3° | 120.1° |
| C2' | C3' | C4' | H3'2 | 125.3° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 119.9° | 120.0° |
| C2' | C3' | C4' | C5' | 173.2° | 180.0° |
| C2' | C3' | C4' | H4'1 | 61.6° | 59.9° |
| C2' | C3' | C4' | H4'2 | 48.0° | 60.0° |
| H2'1 | C2' | C3' | C4' | 66.8° | 59.9° |
| H2'1 | C2' | C3' | H3'1 | 167.9° | 180.0° |
| H2'1 | C2' | C3' | H3'2 | 58.5° | 60.1° |
| H2'2 | C2' | C3' | C4' | 42.7° | 60.0° |
| H2'2 | C2' | C3' | H3'1 | 82.6° | 60.1° |
| H2'2 | C2' | C3' | H3'2 | 168.0° | 180.0° |
| C4' | C3' | H3'1 | H3'2 | 119.9° | 119.9° |
| C3' | C4' | C5' | H4'1 | 125.2° | 120.1° |
| C3' | C4' | C5' | H4'2 | 125.3° | 119.9° |
| C3' | C4' | H4'1 | H4'2 | 118.4° | 119.9° |
| C3' | C4' | C5' | H5'1 | 180.0° | 180.0° |
| C3' | C4' | C5' | H5'2 | 54.7° | 59.9° |
| C3' | C4' | C5' | H5'3 | 54.7° | 60.0° |
| H3'1 | C3' | C4' | C5' | 47.9° | 59.9° |
| H3'1 | C3' | C4' | H4'1 | 173.2° | 180.0° |
| H3'1 | C3' | C4' | H4'2 | 77.3° | 60.0° |
| H3'2 | C3' | C4' | C5' | 61.5° | 60.1° |
| H3'2 | C3' | C4' | H4'1 | 63.8° | 60.1° |
| H3'2 | C3' | C4' | H4'2 | 173.3° | 180.0° |
| C5' | C4' | H4'1 | H4'2 | 118.3° | 119.9° |
| C4' | C5' | H5'1 | H5'2 | 125.3° | 120.1° |
| C4' | C5' | H5'1 | H5'3 | 125.3° | 119.9° |
| C4' | C5' | H5'2 | H5'3 | 118.3° | 119.9° |
| H4'1 | C4' | C5' | H5'1 | 54.8° | 59.9° |
| H4'1 | C4' | C5' | H5'2 | 179.9° | 180.0° |
| H4'1 | C4' | C5' | H5'3 | 70.5° | 60.1° |
| H4'2 | C4' | C5' | H5'1 | 54.7° | 60.1° |
| H4'2 | C4' | C5' | H5'2 | 70.5° | 60.1° |
| H4'2 | C4' | C5' | H5'3 | 179.9° | 180.0° |
| H5'1 | C5' | H5'2 | H5'3 | 118.4° | 120.0° |






