NP3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1P | doub | 1.48Å | 1.48Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
P | O3P | sing | 1.61Å | 1.62Å | |
P | O5' | sing | 1.61Å | 1.63Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.44Å | |
C5' | C4' | sing | 1.53Å | 1.54Å | |
C5' | H5'1 | sing | 1.09Å | 1.10Å | |
C5' | H5'2 | sing | 1.09Å | 1.10Å | |
C4' | O4' | sing | 1.44Å | 1.43Å | |
C4' | C3' | sing | 1.55Å | 1.54Å | |
C4' | H4' | sing | 1.09Å | 1.10Å | |
O4' | C1' | sing | 1.44Å | 1.42Å | |
C1' | N1 | sing | 1.47Å | 1.44Å | |
C1' | C2' | sing | 1.54Å | 1.52Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
N1 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
N1 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
C5 | C4 | doub | 1.35Å | 1.34Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C2 | C3 | doub | 1.35Å | 1.33Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
C3 | N3 | sing | 1.48Å | 1.31Å | |
C4 | H4 | sing | 1.08Å | 1.08Å | |
N3 | ON1 | sing | 1.22Å | 1.26Å | |
N3 | ON2 | doub | 1.22Å | 1.26Å | |
C2' | C3' | sing | 1.55Å | 1.49Å | |
C2' | H2'1 | sing | 1.09Å | 1.10Å | |
C2' | H2'2 | sing | 1.09Å | 1.10Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
O3' | H3T | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O2P | 119.9° | 109.5° |
O1P | P | O3P | 108.2° | 109.5° |
O1P | P | O5' | 108.5° | 109.4° |
O2P | P | O3P | 109.2° | 109.5° |
O2P | P | O5' | 108.3° | 109.5° |
P | O2P | HOP2 | 109.5° | 114.0° |
O3P | P | O5' | 101.1° | 109.5° |
P | O3P | HOP3 | 109.5° | 114.0° |
P | O5' | C5' | 119.3° | 123.0° |
O5' | C5' | C4' | 115.8° | 109.5° |
O5' | C5' | H5'1 | 107.4° | 109.5° |
O5' | C5' | H5'2 | 105.9° | 109.5° |
C4' | C5' | H5'1 | 107.4° | 109.5° |
C4' | C5' | H5'2 | 106.0° | 109.4° |
C5' | C4' | O4' | 107.7° | 110.6° |
C5' | C4' | C3' | 116.3° | 110.7° |
C5' | C4' | H4' | 105.6° | 110.6° |
H5'1 | C5' | H5'2 | 114.6° | 109.4° |
O4' | C4' | C3' | 107.8° | 103.5° |
O4' | C4' | H4' | 114.4° | 110.6° |
C4' | O4' | C1' | 106.8° | 107.0° |
C3' | C4' | H4' | 105.4° | 110.7° |
C4' | C3' | C2' | 98.1° | 102.1° |
C4' | C3' | O3' | 111.7° | 110.9° |
C4' | C3' | H3' | 116.1° | 110.9° |
O4' | C1' | N1 | 111.4° | 110.0° |
O4' | C1' | C2' | 105.6° | 107.3° |
O4' | C1' | H1' | 111.0° | 109.9° |
N1 | C1' | C2' | 110.1° | 109.9° |
N1 | C1' | H1' | 106.6° | 109.8° |
C1' | N1 | C5 | 125.9° | 125.6° |
C1' | N1 | C2 | 127.8° | 125.7° |
C2' | C1' | H1' | 112.3° | 110.0° |
C1' | C2' | C3' | 101.7° | 104.2° |
C1' | C2' | H2'1 | 112.2° | 110.5° |
C1' | C2' | H2'2 | 113.8° | 110.5° |
C5 | N1 | C2 | 106.3° | 108.7° |
N1 | C5 | C4 | 106.6° | 108.2° |
N1 | C5 | H5 | 126.7° | 125.9° |
N1 | C2 | C3 | 113.6° | 108.2° |
N1 | C2 | H2 | 123.2° | 125.9° |
C4 | C5 | H5 | 126.7° | 125.9° |
C5 | C4 | C3 | 111.0° | 107.4° |
C5 | C4 | H4 | 124.5° | 126.3° |
C3 | C2 | H2 | 123.2° | 125.9° |
C2 | C3 | C4 | 102.5° | 107.4° |
C2 | C3 | N3 | 127.8° | 126.3° |
C4 | C3 | N3 | 129.6° | 126.3° |
C3 | C4 | H4 | 124.5° | 126.3° |
C3 | N3 | ON1 | 118.3° | 120.0° |
C3 | N3 | ON2 | 120.8° | 120.0° |
ON1 | N3 | ON2 | 120.9° | 120.0° |
C3' | C2' | H2'1 | 112.1° | 110.5° |
C3' | C2' | H2'2 | 113.8° | 110.5° |
C2' | C3' | O3' | 111.8° | 110.9° |
C2' | C3' | H3' | 116.0° | 110.9° |
H2'1 | C2' | H2'2 | 103.6° | 110.5° |
O3' | C3' | H3' | 103.4° | 110.8° |
C3' | O3' | H3T | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O2P | O3P | 125.6° | 120.0° |
O1P | P | O2P | O5' | 125.1° | 119.9° |
O1P | P | O3P | O5' | 113.8° | 120.0° |
O1P | P | O2P | HOP2 | 43.5° | 179.9° |
O1P | P | O3P | HOP3 | 27.4° | 60.0° |
O1P | P | O5' | C5' | 61.2° | 55.0° |
O2P | P | O3P | O5' | 114.0° | 120.0° |
O2P | P | O3P | HOP3 | 104.8° | 60.0° |
O2P | P | O5' | C5' | 167.1° | 65.0° |
O3P | P | O2P | HOP2 | 169.1° | 60.1° |
O3P | P | O5' | C5' | 52.4° | 175.0° |
O5' | P | O2P | HOP2 | 81.6° | 60.0° |
O5' | P | O3P | HOP3 | 141.2° | 179.9° |
P | O5' | C5' | C4' | 158.4° | 180.0° |
P | O5' | C5' | H5'1 | 81.6° | 60.0° |
P | O5' | C5' | H5'2 | 41.3° | 60.0° |
O5' | C5' | C4' | H5'1 | 120.0° | 120.1° |
O5' | C5' | C4' | H5'2 | 117.1° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 117.4° | 120.0° |
O5' | C5' | C4' | O4' | 56.6° | 66.4° |
O5' | C5' | C4' | C3' | 64.4° | 179.5° |
O5' | C5' | C4' | H4' | 179.2° | 56.4° |
C4' | C5' | H5'1 | H5'2 | 117.4° | 119.9° |
C5' | C4' | O4' | C3' | 126.2° | 118.6° |
C5' | C4' | O4' | H4' | 117.0° | 122.8° |
C5' | C4' | C3' | H4' | 116.5° | 123.0° |
C5' | C4' | O4' | C1' | 114.4° | 158.5° |
C5' | C4' | C3' | C2' | 86.0° | 155.5° |
C5' | C4' | C3' | O3' | 156.5° | 86.2° |
C5' | C4' | C3' | H3' | 38.3° | 37.3° |
H5'1 | C5' | C4' | O4' | 176.6° | 53.6° |
H5'1 | C5' | C4' | C3' | 55.6° | 60.5° |
H5'1 | C5' | C4' | H4' | 60.8° | 176.5° |
H5'2 | C5' | C4' | O4' | 60.5° | 173.5° |
H5'2 | C5' | C4' | C3' | 178.5° | 59.4° |
H5'2 | C5' | C4' | H4' | 62.1° | 63.6° |
O4' | C4' | C3' | H4' | 122.6° | 118.5° |
C4' | O4' | C1' | N1 | 135.9° | 145.9° |
C4' | O4' | C1' | C2' | 16.4° | 26.4° |
C4' | O4' | C1' | H1' | 105.6° | 93.1° |
O4' | C4' | C3' | C2' | 34.9° | 37.0° |
O4' | C4' | C3' | O3' | 82.5° | 155.2° |
O4' | C4' | C3' | H3' | 159.2° | 81.2° |
C3' | C4' | O4' | C1' | 11.7° | 40.0° |
C4' | C3' | C2' | C1' | 42.7° | 20.9° |
C4' | C3' | C2' | O3' | 117.3° | 118.2° |
C4' | C3' | C2' | H3' | 124.4° | 118.2° |
C4' | C3' | C2' | H2'1 | 162.7° | 97.8° |
C4' | C3' | C2' | H2'2 | 80.1° | 139.6° |
C4' | C3' | O3' | H3' | 125.6° | 123.6° |
C4' | C3' | O3' | H3T | 36.2° | 180.0° |
H4' | C4' | O4' | C1' | 128.6° | 78.6° |
H4' | C4' | C3' | C2' | 157.5° | 81.5° |
H4' | C4' | C3' | O3' | 40.0° | 36.7° |
H4' | C4' | C3' | H3' | 78.2° | 160.3° |
O4' | C1' | N1 | C2' | 116.8° | 117.9° |
O4' | C1' | N1 | H1' | 121.2° | 121.0° |
O4' | C1' | C2' | H1' | 121.1° | 119.5° |
O4' | C1' | N1 | C5 | 107.2° | 38.6° |
O4' | C1' | N1 | C2 | 74.6° | 141.7° |
O4' | C1' | C2' | C3' | 38.9° | 2.0° |
O4' | C1' | C2' | H2'1 | 158.8° | 120.7° |
O4' | C1' | C2' | H2'2 | 83.9° | 116.7° |
N1 | C1' | C2' | H1' | 118.6° | 121.0° |
C1' | N1 | C5 | C2 | 178.6° | 179.8° |
C1' | N1 | C5 | C4 | 178.4° | 180.0° |
C1' | N1 | C5 | H5 | 1.6° | 0.1° |
C1' | N1 | C2 | C3 | 178.2° | 180.0° |
C1' | N1 | C2 | H2 | 1.9° | 0.0° |
N1 | C1' | C2' | C3' | 159.2° | 121.5° |
N1 | C1' | C2' | H2'1 | 80.8° | 119.8° |
N1 | C1' | C2' | H2'2 | 36.5° | 2.9° |
C2' | C1' | N1 | C5 | 136.0° | 79.3° |
C2' | C1' | N1 | C2 | 42.3° | 100.4° |
C1' | C2' | C3' | H2'1 | 120.0° | 118.7° |
C1' | C2' | C3' | H2'2 | 122.8° | 118.7° |
C1' | C2' | H2'1 | H2'2 | 123.2° | 122.7° |
C1' | C2' | C3' | O3' | 74.6° | 139.1° |
C1' | C2' | C3' | H3' | 167.1° | 97.3° |
H1' | C1' | N1 | C5 | 14.0° | 159.6° |
H1' | C1' | N1 | C2 | 164.3° | 20.7° |
H1' | C1' | C2' | C3' | 82.2° | 117.5° |
H1' | C1' | C2' | H2'1 | 37.8° | 1.2° |
H1' | C1' | C2' | H2'2 | 155.0° | 123.9° |
N1 | C5 | C4 | H5 | 180.0° | 180.0° |
C5 | N1 | C2 | C3 | 0.4° | 0.2° |
C5 | N1 | C2 | H2 | 179.6° | 179.8° |
N1 | C5 | C4 | C3 | 0.1° | 0.1° |
N1 | C5 | C4 | H4 | 180.0° | 180.0° |
C2 | N1 | C5 | C4 | 0.2° | 0.2° |
C2 | N1 | C5 | H5 | 179.8° | 179.8° |
N1 | C2 | C3 | H2 | 180.0° | 180.0° |
N1 | C2 | C3 | C4 | 0.4° | 0.1° |
N1 | C2 | C3 | N3 | 176.8° | 180.0° |
C5 | C4 | C3 | C2 | 0.3° | 0.0° |
C5 | C4 | C3 | H4 | 180.0° | 179.9° |
C5 | C4 | C3 | N3 | 176.8° | 179.8° |
H5 | C5 | C4 | C3 | 179.9° | 179.9° |
H5 | C5 | C4 | H4 | 0.0° | 0.0° |
C2 | C3 | C4 | N3 | 177.1° | 179.8° |
C2 | C3 | C4 | H4 | 179.8° | 179.9° |
C2 | C3 | N3 | ON1 | 90.1° | 0.0° |
C2 | C3 | N3 | ON2 | 89.7° | 180.0° |
H2 | C2 | C3 | C4 | 179.6° | 179.8° |
H2 | C2 | C3 | N3 | 3.3° | 0.0° |
C4 | C3 | N3 | ON1 | 86.3° | 179.8° |
C4 | C3 | N3 | ON2 | 93.9° | 0.2° |
N3 | C3 | C4 | H4 | 3.2° | 0.1° |
C3 | N3 | ON1 | ON2 | 179.8° | 180.0° |
C3' | C2' | H2'1 | H2'2 | 123.1° | 122.6° |
C2' | C3' | O3' | H3' | 125.6° | 123.6° |
C2' | C3' | O3' | H3T | 72.6° | 67.2° |
H2'1 | C2' | C3' | O3' | 45.4° | 20.4° |
H2'1 | C2' | C3' | H3' | 72.9° | 144.0° |
H2'2 | C2' | C3' | O3' | 162.6° | 102.2° |
H2'2 | C2' | C3' | H3' | 44.3° | 21.4° |
H3' | C3' | O3' | H3T | 161.8° | 56.4° |