DCM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C2 | sing | 1.34Å | 1.41Å | |
N1 | C6 | sing | 1.36Å | 1.37Å | |
N1 | C1' | sing | 1.46Å | 1.48Å | |
C2 | N3 | sing | 1.33Å | 1.34Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
N3 | C4 | doub | 1.33Å | 1.34Å | |
C4 | C5 | sing | 1.41Å | 1.43Å | |
C4 | N4 | sing | 1.38Å | 1.33Å | |
C5 | C6 | doub | 1.35Å | 1.34Å | |
C5 | H5 | sing | 1.08Å | 1.10Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
N4 | HN41 | sing | 0.97Å | 1.02Å | |
N4 | HN42 | sing | 0.97Å | 1.02Å | |
C1' | C2' | sing | 1.54Å | 1.53Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.12Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.11Å | |
C3' | C4' | sing | 1.55Å | 1.53Å | |
C3' | O3' | sing | 1.43Å | 1.42Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.46Å | |
C4' | C5' | sing | 1.53Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C5' | O5' | sing | 1.43Å | 1.45Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.11Å | |
O5' | P | sing | 1.61Å | 1.60Å | |
P | O1P | doub | 1.48Å | 1.49Å | |
P | O2P | sing | 1.61Å | 1.49Å | |
P | O3P | sing | 1.61Å | 1.49Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N1 | C6 | 120.0° | 120.3° |
C2 | N1 | C1' | 118.5° | 119.8° |
N1 | C2 | N3 | 119.3° | 121.1° |
N1 | C2 | O2 | 118.9° | 119.5° |
C6 | N1 | C1' | 120.8° | 119.8° |
N1 | C6 | C5 | 121.2° | 119.3° |
N1 | C6 | H6 | 120.5° | 120.4° |
N1 | C1' | C2' | 114.4° | 109.9° |
N1 | C1' | O4' | 109.0° | 109.9° |
N1 | C1' | H1' | 105.4° | 109.9° |
N3 | C2 | O2 | 121.9° | 119.5° |
C2 | N3 | C4 | 120.3° | 120.7° |
N3 | C4 | C5 | 121.8° | 119.6° |
N3 | C4 | N4 | 118.2° | 120.2° |
C5 | C4 | N4 | 120.0° | 120.2° |
C4 | C5 | C6 | 117.3° | 119.0° |
C4 | C5 | H5 | 124.4° | 120.5° |
C4 | N4 | HN41 | 118.1° | 120.0° |
C4 | N4 | HN42 | 109.1° | 120.0° |
C6 | C5 | H5 | 118.3° | 120.5° |
C5 | C6 | H6 | 118.3° | 120.4° |
HN41 | N4 | HN42 | 109.1° | 120.0° |
C2' | C1' | O4' | 105.8° | 107.4° |
C2' | C1' | H1' | 108.5° | 109.8° |
C1' | C2' | C3' | 100.7° | 104.2° |
C1' | C2' | H2'1 | 115.6° | 110.5° |
C1' | C2' | H2'2 | 115.7° | 110.4° |
O4' | C1' | H1' | 114.0° | 109.9° |
C1' | O4' | C4' | 109.7° | 106.9° |
C3' | C2' | H2'1 | 115.6° | 110.5° |
C3' | C2' | H2'2 | 115.6° | 110.5° |
C2' | C3' | C4' | 102.3° | 102.1° |
C2' | C3' | O3' | 111.1° | 110.9° |
C2' | C3' | H3' | 113.1° | 110.9° |
H2'1 | C2' | H2'2 | 94.8° | 110.5° |
C4' | C3' | O3' | 109.6° | 110.9° |
C4' | C3' | H3' | 114.5° | 110.9° |
C3' | C4' | O4' | 105.3° | 103.6° |
C3' | C4' | C5' | 115.2° | 110.7° |
C3' | C4' | H4' | 108.5° | 110.6° |
O3' | C3' | H3' | 106.3° | 110.8° |
C3' | O3' | HO3' | 111.1° | 106.7° |
O4' | C4' | C5' | 109.6° | 110.8° |
O4' | C4' | H4' | 114.3° | 110.5° |
C5' | C4' | H4' | 104.2° | 110.5° |
C4' | C5' | O5' | 110.2° | 109.5° |
C4' | C5' | H5'1 | 112.0° | 109.4° |
C4' | C5' | H5'2 | 112.0° | 109.4° |
O5' | C5' | H5'1 | 111.9° | 109.5° |
O5' | C5' | H5'2 | 111.9° | 109.6° |
C5' | O5' | P | 121.6° | 106.8° |
H5'1 | C5' | H5'2 | 98.5° | 109.4° |
O5' | P | O1P | 100.7° | 109.5° |
O5' | P | O2P | 100.8° | 109.5° |
O5' | P | O3P | 98.1° | 109.5° |
O1P | P | O2P | 116.9° | 109.4° |
O1P | P | O3P | 117.4° | 109.5° |
O2P | P | O3P | 117.1° | 109.5° |
P | O2P | HOP2 | 100.7° | 106.8° |
P | O3P | HOP3 | 98.1° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | N1 | C6 | C1' | 170.0° | 180.0° |
N1 | C2 | N3 | O2 | 179.0° | 180.0° |
N1 | C2 | N3 | C4 | 4.8° | 0.0° |
C2 | N1 | C6 | C5 | 1.2° | 0.3° |
C2 | N1 | C6 | H6 | 178.8° | 179.9° |
C2 | N1 | C1' | C2' | 68.7° | 59.7° |
C2 | N1 | C1' | O4' | 173.0° | 58.3° |
C2 | N1 | C1' | H1' | 50.3° | 179.3° |
C6 | N1 | C2 | N3 | 3.9° | 0.0° |
C6 | N1 | C2 | O2 | 175.2° | 180.0° |
N1 | C6 | C5 | C4 | 0.4° | 0.4° |
N1 | C6 | C5 | H6 | 180.0° | 179.8° |
N1 | C6 | C5 | H5 | 179.6° | 180.0° |
C6 | N1 | C1' | C2' | 121.1° | 120.3° |
C6 | N1 | C1' | O4' | 2.9° | 121.7° |
C6 | N1 | C1' | H1' | 119.8° | 0.7° |
C1' | N1 | C2 | N3 | 174.1° | 180.0° |
C1' | N1 | C2 | O2 | 4.9° | 0.0° |
C1' | N1 | C6 | C5 | 171.2° | 179.8° |
C1' | N1 | C6 | H6 | 8.8° | 0.1° |
N1 | C1' | C2' | O4' | 120.0° | 119.5° |
N1 | C1' | C2' | H1' | 117.3° | 121.0° |
N1 | C1' | O4' | H1' | 117.4° | 121.1° |
N1 | C1' | C2' | C3' | 156.4° | 121.5° |
N1 | C1' | C2' | H2'1 | 78.4° | 119.8° |
N1 | C1' | C2' | H2'2 | 31.1° | 2.8° |
N1 | C1' | O4' | C4' | 142.8° | 145.8° |
C2 | N3 | C4 | C5 | 3.2° | 0.2° |
C2 | N3 | C4 | N4 | 175.4° | 180.0° |
O2 | C2 | N3 | C4 | 174.2° | 180.0° |
N3 | C4 | C5 | N4 | 178.6° | 179.8° |
N3 | C4 | C5 | C6 | 0.5° | 0.4° |
N3 | C4 | C5 | H5 | 179.5° | 180.0° |
N3 | C4 | N4 | HN41 | 180.0° | 0.0° |
N3 | C4 | N4 | HN42 | 54.7° | 179.7° |
C4 | C5 | C6 | H5 | 180.0° | 179.6° |
C4 | C5 | C6 | H6 | 179.6° | 179.7° |
C5 | C4 | N4 | HN41 | 1.4° | 179.8° |
C5 | C4 | N4 | HN42 | 123.9° | 0.5° |
N4 | C4 | C5 | C6 | 178.1° | 179.8° |
N4 | C4 | C5 | H5 | 2.0° | 0.2° |
C4 | N4 | HN41 | HN42 | 125.3° | 179.7° |
H5 | C5 | C6 | H6 | 0.4° | 0.2° |
C2' | C1' | O4' | H1' | 119.1° | 119.4° |
C1' | C2' | C3' | H2'1 | 125.3° | 118.7° |
C1' | C2' | C3' | H2'2 | 125.3° | 118.6° |
C1' | C2' | H2'1 | H2'2 | 121.5° | 122.6° |
C1' | C2' | C3' | C4' | 38.8° | 20.9° |
C1' | C2' | C3' | O3' | 78.1° | 139.1° |
C1' | C2' | C3' | H3' | 162.5° | 97.3° |
C2' | C1' | O4' | C4' | 19.2° | 26.3° |
O4' | C1' | C2' | C3' | 36.3° | 1.9° |
O4' | C1' | C2' | H2'1 | 161.6° | 120.6° |
O4' | C1' | C2' | H2'2 | 88.9° | 116.7° |
C1' | O4' | C4' | C3' | 6.1° | 39.9° |
C1' | O4' | C4' | C5' | 118.4° | 158.6° |
C1' | O4' | C4' | H4' | 125.1° | 78.6° |
H1' | C1' | C2' | C3' | 86.4° | 117.5° |
H1' | C1' | C2' | H2'1 | 38.9° | 1.2° |
H1' | C1' | C2' | H2'2 | 148.4° | 123.8° |
H1' | C1' | O4' | C4' | 99.9° | 93.1° |
C3' | C2' | H2'1 | H2'2 | 121.4° | 122.7° |
C2' | C3' | C4' | O3' | 117.9° | 118.2° |
C2' | C3' | C4' | H3' | 122.8° | 118.3° |
C2' | C3' | O3' | H3' | 123.4° | 123.6° |
C2' | C3' | C4' | O4' | 28.7° | 37.0° |
C2' | C3' | C4' | C5' | 92.2° | 155.7° |
C2' | C3' | C4' | H4' | 151.4° | 81.4° |
C2' | C3' | O3' | HO3' | 179.9° | 61.5° |
H2'1 | C2' | C3' | C4' | 164.0° | 97.8° |
H2'1 | C2' | C3' | O3' | 47.2° | 20.4° |
H2'1 | C2' | C3' | H3' | 72.2° | 143.9° |
H2'2 | C2' | C3' | C4' | 86.6° | 139.5° |
H2'2 | C2' | C3' | O3' | 156.6° | 102.3° |
H2'2 | C2' | C3' | H3' | 37.2° | 21.3° |
C4' | C3' | O3' | H3' | 124.3° | 123.6° |
C3' | C4' | O4' | C5' | 124.5° | 118.7° |
C3' | C4' | O4' | H4' | 119.0° | 118.5° |
C3' | C4' | C5' | H4' | 118.8° | 122.9° |
C4' | C3' | O3' | HO3' | 67.7° | 174.2° |
C3' | C4' | C5' | O5' | 80.0° | 180.0° |
C3' | C4' | C5' | H5'1 | 45.2° | 60.0° |
C3' | C4' | C5' | H5'2 | 154.7° | 59.9° |
O3' | C3' | C4' | O4' | 89.3° | 155.2° |
O3' | C3' | C4' | C5' | 149.8° | 86.1° |
O3' | C3' | C4' | H4' | 33.5° | 36.8° |
H3' | C3' | C4' | O4' | 151.4° | 81.3° |
H3' | C3' | C4' | C5' | 30.5° | 37.4° |
H3' | C3' | C4' | H4' | 85.8° | 160.3° |
H3' | C3' | O3' | HO3' | 56.6° | 62.2° |
O4' | C4' | C5' | H4' | 122.7° | 122.8° |
O4' | C4' | C5' | O5' | 161.4° | 65.7° |
O4' | C4' | C5' | H5'1 | 73.3° | 174.3° |
O4' | C4' | C5' | H5'2 | 36.2° | 54.4° |
C4' | C5' | O5' | H5'1 | 125.2° | 120.0° |
C4' | C5' | O5' | H5'2 | 125.3° | 120.0° |
C4' | C5' | H5'1 | H5'2 | 117.9° | 119.9° |
C4' | C5' | O5' | P | 141.0° | 180.0° |
H4' | C4' | C5' | O5' | 38.8° | 57.1° |
H4' | C4' | C5' | H5'1 | 164.0° | 62.9° |
H4' | C4' | C5' | H5'2 | 86.5° | 177.2° |
O5' | C5' | H5'1 | H5'2 | 117.8° | 120.1° |
C5' | O5' | P | O1P | 59.3° | 60.0° |
C5' | O5' | P | O2P | 61.0° | 180.0° |
C5' | O5' | P | O3P | 179.3° | 60.0° |
H5'1 | C5' | O5' | P | 15.8° | 60.0° |
H5'2 | C5' | O5' | P | 93.7° | 60.0° |
O5' | P | O1P | O2P | 108.0° | 119.9° |
O5' | P | O1P | O3P | 105.1° | 120.1° |
O5' | P | O2P | O3P | 105.0° | 120.0° |
O5' | P | O2P | HOP2 | 180.0° | 180.0° |
O5' | P | O3P | HOP3 | 180.0° | 60.0° |
O1P | P | O2P | O3P | 147.0° | 120.0° |
O1P | P | O2P | HOP2 | 72.0° | 60.0° |
O1P | P | O3P | HOP3 | 73.4° | 180.0° |
O2P | P | O3P | HOP3 | 73.5° | 60.0° |
O3P | P | O2P | HOP2 | 75.0° | 60.0° |