PMO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N3 | C2 | doub | 1.30Å | 1.34Å | Aromatic |
N3 | C3A | sing | 1.36Å | 1.39Å | Aromatic |
N1 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
N1 | C7A | sing | 1.38Å | 1.42Å | Aromatic |
N1 | C1' | sing | 1.46Å | 1.49Å | |
C2 | H21 | sing | 1.08Å | 1.10Å | |
C7A | C3A | doub | 1.40Å | 1.38Å | Aromatic |
C7A | C7 | sing | 1.39Å | 1.40Å | Aromatic |
C3A | C4 | sing | 1.40Å | 1.40Å | Aromatic |
C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
C4 | H41 | sing | 1.08Å | 1.10Å | |
C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
C5 | O10 | sing | 1.36Å | 1.37Å | |
C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
C6 | H61 | sing | 1.08Å | 1.10Å | |
C7 | H71 | sing | 1.08Å | 1.10Å | |
O10 | C11 | sing | 1.43Å | 1.41Å | |
C11 | H111 | sing | 1.09Å | 1.11Å | |
C11 | H112 | sing | 1.09Å | 1.12Å | |
C11 | H113 | sing | 1.09Å | 1.12Å | |
P | O1P | doub | 1.48Å | 1.49Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
P | O3P | sing | 1.61Å | 1.50Å | |
P | O5' | sing | 1.61Å | 1.62Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C5' | C4' | sing | 1.53Å | 1.52Å | |
C5' | H5'1 | sing | 1.09Å | 1.12Å | |
C5' | H5'2 | sing | 1.09Å | 1.12Å | |
C4' | O4' | sing | 1.44Å | 1.47Å | |
C4' | C3' | sing | 1.55Å | 1.52Å | |
C4' | H4' | sing | 1.09Å | 1.11Å | |
O4' | C1' | sing | 1.43Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C2' | sing | 1.55Å | 1.54Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
O3' | HO3' | sing | 0.97Å | 0.95Å | |
C2' | O2' | sing | 1.43Å | 1.45Å | |
C2' | C1' | sing | 1.54Å | 1.54Å | |
C2' | H2' | sing | 1.09Å | 1.12Å | |
O2' | HO2' | sing | 0.97Å | 0.95Å | |
C1' | H1' | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | N3 | C3A | 106.5° | 109.7° |
N3 | C2 | N1 | 113.9° | 110.1° |
N3 | C2 | H21 | 122.4° | 124.9° |
N3 | C3A | C7A | 107.3° | 106.9° |
N3 | C3A | C4 | 131.3° | 133.5° |
C2 | N1 | C7A | 103.2° | 107.3° |
C2 | N1 | C1' | 127.3° | 126.3° |
N1 | C2 | H21 | 123.6° | 124.9° |
C7A | N1 | C1' | 129.5° | 126.4° |
N1 | C7A | C3A | 109.0° | 106.0° |
N1 | C7A | C7 | 132.0° | 134.0° |
N1 | C1' | O4' | 114.3° | 109.9° |
N1 | C1' | C2' | 113.7° | 109.8° |
N1 | C1' | H1' | 101.4° | 109.8° |
C3A | C7A | C7 | 119.1° | 120.0° |
C7A | C3A | C4 | 121.3° | 119.6° |
C7A | C7 | C6 | 120.1° | 119.9° |
C7A | C7 | H71 | 120.3° | 120.0° |
C3A | C4 | C5 | 120.1° | 119.7° |
C3A | C4 | H41 | 120.3° | 120.2° |
C5 | C4 | H41 | 119.5° | 120.1° |
C4 | C5 | C6 | 118.8° | 120.4° |
C4 | C5 | O10 | 129.5° | 119.8° |
C6 | C5 | O10 | 111.6° | 119.8° |
C5 | C6 | C7 | 120.5° | 120.4° |
C5 | C6 | H61 | 120.7° | 119.8° |
C5 | O10 | C11 | 111.3° | 106.8° |
C7 | C6 | H61 | 118.7° | 119.8° |
C6 | C7 | H71 | 119.6° | 120.1° |
O10 | C11 | H111 | 111.3° | 109.5° |
O10 | C11 | H112 | 111.5° | 109.5° |
O10 | C11 | H113 | 111.5° | 109.5° |
H111 | C11 | H112 | 111.6° | 109.5° |
H111 | C11 | H113 | 111.5° | 109.5° |
H112 | C11 | H113 | 98.8° | 109.4° |
O1P | P | O2P | 110.9° | 109.4° |
O1P | P | O3P | 118.1° | 109.4° |
O1P | P | O5' | 100.6° | 109.5° |
O2P | P | O3P | 111.1° | 109.5° |
O2P | P | O5' | 107.5° | 109.5° |
P | O2P | HOP2 | 110.9° | 106.8° |
O3P | P | O5' | 107.7° | 109.5° |
P | O3P | HOP3 | 118.1° | 106.7° |
P | O5' | C5' | 120.7° | 106.8° |
O5' | C5' | C4' | 109.1° | 109.5° |
O5' | C5' | H5'1 | 112.3° | 109.5° |
O5' | C5' | H5'2 | 112.3° | 109.4° |
C4' | C5' | H5'1 | 112.4° | 109.5° |
C4' | C5' | H5'2 | 112.4° | 109.4° |
C5' | C4' | O4' | 109.3° | 110.3° |
C5' | C4' | C3' | 114.7° | 110.5° |
C5' | C4' | H4' | 104.5° | 110.3° |
H5'1 | C5' | H5'2 | 98.0° | 109.4° |
O4' | C4' | C3' | 104.7° | 105.1° |
O4' | C4' | H4' | 114.7° | 110.3° |
C4' | O4' | C1' | 110.3° | 110.0° |
C3' | C4' | H4' | 109.2° | 110.3° |
C4' | C3' | O3' | 113.5° | 111.1° |
C4' | C3' | C2' | 98.1° | 101.0° |
C4' | C3' | H3' | 114.4° | 111.1° |
O4' | C1' | C2' | 103.9° | 107.7° |
O4' | C1' | H1' | 111.6° | 109.8° |
O3' | C3' | C2' | 110.1° | 111.2° |
O3' | C3' | H3' | 103.5° | 111.0° |
C3' | O3' | HO3' | 113.5° | 106.8° |
C2' | C3' | H3' | 117.6° | 111.1° |
C3' | C2' | O2' | 107.7° | 110.9° |
C3' | C2' | C1' | 103.3° | 102.2° |
C3' | C2' | H2' | 115.5° | 110.8° |
O2' | C2' | C1' | 112.4° | 111.0° |
O2' | C2' | H2' | 106.9° | 110.8° |
C2' | O2' | HO2' | 107.7° | 106.8° |
C1' | C2' | H2' | 111.0° | 111.0° |
C2' | C1' | H1' | 112.3° | 109.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N3 | C2 | N1 | H21 | 180.0° | 179.9° |
N3 | C2 | N1 | C7A | 1.1° | 0.0° |
N3 | C2 | N1 | C1' | 179.6° | 180.0° |
C2 | N3 | C3A | C7A | 1.5° | 0.0° |
C2 | N3 | C3A | C4 | 177.4° | 179.8° |
C3A | N3 | C2 | N1 | 0.2° | 0.0° |
N3 | C3A | C7A | N1 | 2.2° | 0.0° |
C3A | N3 | C2 | H21 | 179.8° | 179.9° |
N3 | C3A | C7A | C4 | 179.1° | 179.8° |
N3 | C3A | C7A | C7 | 179.3° | 180.0° |
N3 | C3A | C4 | C5 | 178.2° | 179.8° |
N3 | C3A | C4 | H41 | 1.8° | 0.0° |
C2 | N1 | C7A | C1' | 179.3° | 179.9° |
C2 | N1 | C7A | C3A | 2.0° | 0.0° |
C2 | N1 | C7A | C7 | 179.7° | 180.0° |
C2 | N1 | C1' | O4' | 172.0° | 28.4° |
C2 | N1 | C1' | C2' | 52.9° | 89.9° |
C2 | N1 | C1' | H1' | 67.7° | 149.3° |
C7A | N1 | C2 | H21 | 178.9° | 179.9° |
N1 | C7A | C3A | C7 | 178.5° | 180.0° |
N1 | C7A | C3A | C4 | 176.9° | 179.8° |
N1 | C7A | C7 | C6 | 177.4° | 180.0° |
N1 | C7A | C7 | H71 | 2.6° | 0.1° |
C7A | N1 | C1' | O4' | 7.1° | 151.6° |
C7A | N1 | C1' | C2' | 126.1° | 90.2° |
C7A | N1 | C1' | H1' | 113.2° | 30.6° |
C1' | N1 | C2 | H21 | 0.4° | 0.1° |
C1' | N1 | C7A | C3A | 178.8° | 179.9° |
C1' | N1 | C7A | C7 | 0.5° | 0.0° |
N1 | C1' | O4' | C4' | 118.3° | 117.8° |
N1 | C1' | O4' | C2' | 124.5° | 119.5° |
N1 | C1' | O4' | H1' | 114.4° | 120.9° |
N1 | C1' | C2' | C3' | 93.5° | 140.9° |
N1 | C1' | C2' | O2' | 22.3° | 22.6° |
N1 | C1' | C2' | H1' | 114.4° | 120.8° |
N1 | C1' | C2' | H2' | 142.1° | 101.0° |
C7A | C3A | C4 | C5 | 3.0° | 0.5° |
C7A | C3A | C4 | H41 | 177.0° | 179.7° |
C3A | C7A | C7 | C6 | 0.7° | 0.1° |
C3A | C7A | C7 | H71 | 179.3° | 180.0° |
C7 | C7A | C3A | C4 | 1.7° | 0.2° |
C7A | C7 | C6 | C5 | 1.1° | 0.1° |
C7A | C7 | C6 | H71 | 180.0° | 179.9° |
C7A | C7 | C6 | H61 | 178.9° | 180.0° |
C3A | C4 | C5 | H41 | 180.0° | 179.8° |
C3A | C4 | C5 | C6 | 3.3° | 0.5° |
C3A | C4 | C5 | O10 | 178.5° | 179.8° |
C4 | C5 | C6 | O10 | 176.0° | 179.7° |
C4 | C5 | C6 | C7 | 2.4° | 0.3° |
C4 | C5 | C6 | H61 | 177.6° | 179.7° |
C4 | C5 | O10 | C11 | 0.1° | 179.7° |
H41 | C4 | C5 | C6 | 176.7° | 179.7° |
H41 | C4 | C5 | O10 | 1.5° | 0.1° |
C5 | C6 | C7 | H61 | 180.0° | 179.9° |
C5 | C6 | C7 | H71 | 178.9° | 180.0° |
C6 | C5 | O10 | C11 | 175.4° | 0.0° |
O10 | C5 | C6 | C7 | 178.4° | 180.0° |
O10 | C5 | C6 | H61 | 1.6° | 0.0° |
C5 | O10 | C11 | H111 | 180.0° | 180.0° |
C5 | O10 | C11 | H112 | 54.7° | 59.9° |
C5 | O10 | C11 | H113 | 54.7° | 60.0° |
H61 | C6 | C7 | H71 | 1.1° | 0.1° |
O10 | C11 | H111 | H112 | 125.2° | 120.1° |
O10 | C11 | H111 | H113 | 125.3° | 120.0° |
O10 | C11 | H112 | H113 | 117.4° | 120.0° |
H111 | C11 | H112 | H113 | 117.4° | 119.9° |
O1P | P | O2P | O3P | 133.4° | 119.9° |
O1P | P | O2P | O5' | 109.1° | 120.0° |
O1P | P | O3P | O5' | 112.9° | 120.0° |
O1P | P | O2P | HOP2 | 180.0° | 60.0° |
O1P | P | O3P | HOP3 | 180.0° | 180.0° |
O1P | P | O5' | C5' | 64.4° | 60.0° |
O2P | P | O3P | O5' | 117.4° | 120.1° |
O2P | P | O3P | HOP3 | 50.3° | 60.1° |
O2P | P | O5' | C5' | 179.6° | 180.0° |
O3P | P | O2P | HOP2 | 46.6° | 59.9° |
O3P | P | O5' | C5' | 59.9° | 59.9° |
O5' | P | O2P | HOP2 | 70.9° | 180.0° |
O5' | P | O3P | HOP3 | 67.1° | 60.0° |
P | O5' | C5' | C4' | 93.8° | 180.0° |
P | O5' | C5' | H5'1 | 140.9° | 59.9° |
P | O5' | C5' | H5'2 | 31.5° | 60.0° |
O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
O5' | C5' | H5'1 | H5'2 | 118.2° | 119.9° |
O5' | C5' | C4' | O4' | 63.3° | 61.4° |
O5' | C5' | C4' | C3' | 179.5° | 177.2° |
O5' | C5' | C4' | H4' | 59.9° | 60.6° |
C4' | C5' | H5'1 | H5'2 | 118.3° | 120.0° |
C5' | C4' | O4' | C3' | 123.3° | 119.1° |
C5' | C4' | O4' | H4' | 117.0° | 122.0° |
C5' | C4' | C3' | H4' | 117.0° | 122.1° |
C5' | C4' | O4' | C1' | 101.5° | 143.5° |
C5' | C4' | C3' | O3' | 163.4° | 86.6° |
C5' | C4' | C3' | C2' | 80.5° | 155.4° |
C5' | C4' | C3' | H3' | 44.9° | 37.5° |
H5'1 | C5' | C4' | O4' | 62.0° | 178.5° |
H5'1 | C5' | C4' | C3' | 55.2° | 62.7° |
H5'1 | C5' | C4' | H4' | 174.8° | 59.4° |
H5'2 | C5' | C4' | O4' | 171.4° | 58.6° |
H5'2 | C5' | C4' | C3' | 54.2° | 57.2° |
H5'2 | C5' | C4' | H4' | 65.4° | 179.4° |
O4' | C4' | C3' | H4' | 123.2° | 118.8° |
O4' | C4' | C3' | O3' | 76.8° | 154.4° |
O4' | C4' | C3' | C2' | 39.3° | 36.3° |
O4' | C4' | C3' | H3' | 164.7° | 81.5° |
C4' | O4' | C1' | C2' | 6.1° | 1.7° |
C4' | O4' | C1' | H1' | 127.3° | 121.3° |
C3' | C4' | O4' | C1' | 21.8° | 24.3° |
C4' | C3' | O3' | C2' | 108.9° | 111.7° |
C4' | C3' | O3' | H3' | 124.6° | 124.1° |
C4' | C3' | C2' | H3' | 123.1° | 117.9° |
C4' | C3' | O3' | HO3' | 180.0° | 180.0° |
C4' | C3' | C2' | O2' | 162.0° | 84.3° |
C4' | C3' | C2' | C1' | 42.9° | 34.0° |
C4' | C3' | C2' | H2' | 78.6° | 152.3° |
H4' | C4' | O4' | C1' | 141.5° | 94.5° |
H4' | C4' | C3' | O3' | 46.4° | 35.6° |
H4' | C4' | C3' | C2' | 162.5° | 82.5° |
H4' | C4' | C3' | H3' | 72.1° | 159.6° |
O4' | C1' | C2' | C3' | 31.4° | 21.3° |
O4' | C1' | C2' | O2' | 147.2° | 96.9° |
O4' | C1' | C2' | H1' | 120.8° | 119.6° |
O4' | C1' | C2' | H2' | 93.0° | 139.5° |
O3' | C3' | C2' | H3' | 118.1° | 124.1° |
O3' | C3' | C2' | O2' | 43.2° | 33.7° |
O3' | C3' | C2' | C1' | 75.9° | 152.0° |
O3' | C3' | C2' | H2' | 162.6° | 89.7° |
C2' | C3' | O3' | HO3' | 71.1° | 68.4° |
C3' | C2' | O2' | C1' | 113.2° | 112.8° |
C3' | C2' | O2' | H2' | 124.7° | 123.4° |
C3' | C2' | C1' | H2' | 124.4° | 118.2° |
C3' | C2' | O2' | HO2' | 179.9° | 61.4° |
C3' | C2' | C1' | H1' | 152.2° | 98.3° |
H3' | C3' | O3' | HO3' | 55.4° | 55.8° |
H3' | C3' | C2' | O2' | 74.9° | 157.8° |
H3' | C3' | C2' | C1' | 166.0° | 83.9° |
H3' | C3' | C2' | H2' | 44.5° | 34.4° |
O2' | C2' | C1' | H2' | 119.8° | 123.6° |
O2' | C2' | C1' | H1' | 92.0° | 143.5° |
C1' | C2' | O2' | HO2' | 66.9° | 174.2° |
H2' | C2' | O2' | HO2' | 55.2° | 62.0° |
H2' | C2' | C1' | H1' | 27.7° | 19.9° |