Obsolete: MPN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3P | P | sing | 1.61Å | 1.37Å | |
O3P | HOP3 | sing | 0.97Å | 0.95Å | |
P | O1P | doub | 1.48Å | 1.54Å | |
P | O2P | sing | 1.61Å | 1.48Å | |
P | O4' | sing | 1.61Å | 1.40Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
O4' | C4' | sing | 1.43Å | 1.43Å | |
C4' | C3' | sing | 1.53Å | 1.39Å | |
C4' | H4'1 | sing | 1.09Å | 1.10Å | |
C4' | H4'2 | sing | 1.09Å | 1.10Å | |
C3' | C2' | sing | 1.52Å | 1.59Å | |
C3' | O3' | sing | 1.43Å | 1.44Å | |
C3' | H3' | sing | 1.09Å | 1.10Å | |
C2' | S2' | doub | 1.60Å | 1.74Å | |
C2' | C1' | sing | 1.48Å | 1.41Å | |
O3' | C7 | sing | 1.43Å | 1.42Å | |
C7 | C6 | sing | 1.54Å | 1.65Å | |
C7 | N8 | sing | 1.47Å | 1.41Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C6 | C1' | sing | 1.52Å | 1.39Å | |
C6 | N5 | sing | 1.47Å | 1.55Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C1' | S1' | doub | 1.60Å | 1.64Å | |
N5 | C9 | sing | 1.41Å | 1.48Å | |
N5 | H5 | sing | 0.97Å | 1.00Å | |
N8 | C10 | sing | 1.38Å | 1.38Å | |
N8 | H8 | sing | 0.97Å | 1.00Å | |
C10 | C9 | doub | 1.37Å | 1.59Å | |
C10 | N1 | sing | 1.37Å | 1.34Å | |
C9 | C4 | sing | 1.41Å | 1.46Å | |
C4 | O4 | doub | 1.22Å | 1.33Å | |
C4 | N3 | sing | 1.34Å | 1.40Å | |
N3 | C2 | doub | 1.32Å | 1.34Å | |
C2 | N1 | sing | 1.36Å | 1.37Å | |
C2 | N2 | sing | 1.37Å | 1.36Å | |
N1 | H1 | sing | 0.97Å | 1.00Å | |
N2 | H21 | sing | 0.97Å | 1.00Å | |
N2 | H22 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P | O3P | HOP3 | 109.5° | 114.0° |
O3P | P | O1P | 111.6° | 109.5° |
O3P | P | O2P | 100.3° | 109.5° |
O3P | P | O4' | 116.4° | 109.5° |
O1P | P | O2P | 113.8° | 109.5° |
O1P | P | O4' | 105.4° | 109.5° |
O2P | P | O4' | 109.7° | 109.5° |
P | O2P | HOP2 | 109.5° | 114.0° |
P | O4' | C4' | 119.0° | 123.0° |
O4' | C4' | C3' | 110.5° | 109.4° |
O4' | C4' | H4'1 | 109.2° | 109.5° |
O4' | C4' | H4'2 | 109.2° | 109.4° |
C3' | C4' | H4'1 | 109.2° | 109.5° |
C3' | C4' | H4'2 | 109.2° | 109.5° |
C4' | C3' | C2' | 112.4° | 110.0° |
C4' | C3' | O3' | 110.5° | 109.9° |
C4' | C3' | H3' | 109.4° | 109.9° |
H4'1 | C4' | H4'2 | 109.4° | 109.6° |
C2' | C3' | O3' | 108.9° | 106.9° |
C2' | C3' | H3' | 106.8° | 110.0° |
C3' | C2' | S2' | 129.5° | 121.9° |
C3' | C2' | C1' | 122.2° | 116.3° |
O3' | C3' | H3' | 108.7° | 110.1° |
C3' | O3' | C7 | 104.7° | 114.6° |
S2' | C2' | C1' | 108.3° | 121.8° |
C2' | C1' | C6 | 115.2° | 116.4° |
C2' | C1' | S1' | 125.4° | 121.8° |
O3' | C7 | C6 | 98.3° | 109.8° |
O3' | C7 | N8 | 103.0° | 108.7° |
O3' | C7 | H7 | 114.0° | 110.2° |
C6 | C7 | N8 | 115.9° | 107.2° |
C6 | C7 | H7 | 110.4° | 110.2° |
C7 | C6 | C1' | 111.8° | 106.6° |
C7 | C6 | N5 | 110.2° | 107.0° |
C7 | C6 | H6 | 104.9° | 111.3° |
N8 | C7 | H7 | 114.1° | 110.8° |
C7 | N8 | C10 | 121.5° | 119.1° |
C7 | N8 | H8 | 106.4° | 120.4° |
C1' | C6 | N5 | 115.7° | 108.3° |
C1' | C6 | H6 | 107.7° | 111.4° |
C6 | C1' | S1' | 119.4° | 121.8° |
N5 | C6 | H6 | 105.8° | 112.1° |
C6 | N5 | C9 | 115.9° | 118.5° |
C6 | N5 | H5 | 107.8° | 120.8° |
C9 | N5 | H5 | 107.8° | 120.7° |
N5 | C9 | C10 | 119.9° | 119.9° |
N5 | C9 | C4 | 123.4° | 121.0° |
C10 | N8 | H8 | 106.4° | 120.5° |
N8 | C10 | C9 | 119.7° | 120.0° |
N8 | C10 | N1 | 127.2° | 120.9° |
C9 | C10 | N1 | 113.1° | 119.1° |
C10 | C9 | C4 | 116.7° | 119.1° |
C10 | N1 | C2 | 128.8° | 120.0° |
C10 | N1 | H1 | 115.6° | 120.0° |
C9 | C4 | O4 | 110.9° | 120.3° |
C9 | C4 | N3 | 118.9° | 119.4° |
O4 | C4 | N3 | 130.3° | 120.4° |
C4 | N3 | C2 | 123.7° | 121.1° |
N3 | C2 | N1 | 118.9° | 121.4° |
N3 | C2 | N2 | 126.4° | 119.3° |
N1 | C2 | N2 | 114.7° | 119.3° |
C2 | N1 | H1 | 115.6° | 120.1° |
C2 | N2 | H21 | 120.0° | 120.0° |
C2 | N2 | H22 | 120.0° | 120.0° |
H21 | N2 | H22 | 120.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3P | P | O1P | O2P | 112.6° | 120.0° |
O3P | P | O1P | O4' | 127.2° | 120.0° |
O3P | P | O2P | O4' | 123.0° | 120.0° |
O3P | P | O2P | HOP2 | 119.3° | 60.0° |
O3P | P | O4' | C4' | 44.8° | 175.0° |
HOP3 | O3P | P | O1P | 0.0° | 60.0° |
HOP3 | O3P | P | O2P | 120.8° | 60.0° |
HOP3 | O3P | P | O4' | 121.0° | 180.0° |
O1P | P | O2P | O4' | 117.7° | 120.0° |
O1P | P | O2P | HOP2 | 0.0° | 180.0° |
O1P | P | O4' | C4' | 79.4° | 55.0° |
O2P | P | O4' | C4' | 157.7° | 65.0° |
O4' | P | O2P | HOP2 | 117.7° | 60.0° |
P | O4' | C4' | C3' | 174.0° | 180.0° |
P | O4' | C4' | H4'1 | 65.9° | 60.0° |
P | O4' | C4' | H4'2 | 53.8° | 60.1° |
O4' | C4' | C3' | H4'1 | 120.2° | 119.9° |
O4' | C4' | C3' | H4'2 | 120.2° | 119.9° |
O4' | C4' | H4'1 | H4'2 | 119.5° | 120.0° |
O4' | C4' | C3' | C2' | 138.5° | 55.0° |
O4' | C4' | C3' | O3' | 99.6° | 62.4° |
O4' | C4' | C3' | H3' | 20.0° | 176.3° |
C3' | C4' | H4'1 | H4'2 | 119.5° | 120.1° |
C4' | C3' | C2' | O3' | 122.8° | 119.3° |
C4' | C3' | C2' | H3' | 120.0° | 121.2° |
C4' | C3' | O3' | H3' | 120.1° | 121.2° |
C4' | C3' | C2' | S2' | 46.4° | 16.1° |
C4' | C3' | C2' | C1' | 135.3° | 164.0° |
C4' | C3' | O3' | C7 | 178.3° | 178.9° |
H4'1 | C4' | C3' | C2' | 101.3° | 64.9° |
H4'1 | C4' | C3' | O3' | 20.6° | 177.6° |
H4'1 | C4' | C3' | H3' | 140.2° | 56.3° |
H4'2 | C4' | C3' | C2' | 18.4° | 175.0° |
H4'2 | C4' | C3' | O3' | 140.2° | 57.5° |
H4'2 | C4' | C3' | H3' | 100.1° | 63.8° |
C2' | C3' | O3' | H3' | 116.0° | 119.5° |
C3' | C2' | S2' | C1' | 178.5° | 179.9° |
C2' | C3' | O3' | C7 | 57.8° | 59.6° |
C3' | C2' | C1' | C6 | 1.0° | 41.7° |
C3' | C2' | C1' | S1' | 179.0° | 138.3° |
O3' | C3' | C2' | S2' | 169.2° | 135.4° |
O3' | C3' | C2' | C1' | 12.5° | 44.7° |
C3' | O3' | C7 | C6 | 83.3° | 69.0° |
C3' | O3' | C7 | N8 | 157.7° | 174.1° |
C3' | O3' | C7 | H7 | 33.5° | 52.5° |
H3' | C3' | C2' | S2' | 73.6° | 105.1° |
H3' | C3' | C2' | C1' | 104.7° | 74.8° |
H3' | C3' | O3' | C7 | 58.2° | 59.9° |
S2' | C2' | C1' | C6 | 177.7° | 138.4° |
S2' | C2' | C1' | S1' | 0.3° | 41.6° |
C2' | C1' | C6 | C7 | 26.1° | 44.7° |
C2' | C1' | C6 | S1' | 178.1° | 180.0° |
C2' | C1' | C6 | N5 | 101.1° | 70.1° |
C2' | C1' | C6 | H6 | 140.8° | 166.2° |
O3' | C7 | C6 | N8 | 108.8° | 117.9° |
O3' | C7 | C6 | H7 | 119.5° | 121.5° |
O3' | C7 | N8 | H7 | 124.1° | 121.2° |
O3' | C7 | C6 | C1' | 69.0° | 55.9° |
O3' | C7 | C6 | N5 | 61.2° | 59.7° |
O3' | C7 | C6 | H6 | 174.6° | 177.5° |
O3' | C7 | N8 | C10 | 70.6° | 71.2° |
O3' | C7 | N8 | H8 | 167.7° | 108.9° |
C6 | C7 | N8 | H7 | 129.9° | 120.2° |
C7 | C6 | C1' | N5 | 127.3° | 114.8° |
C7 | C6 | C1' | H6 | 114.7° | 121.6° |
C7 | C6 | N5 | H6 | 112.9° | 122.3° |
C7 | C6 | C1' | S1' | 152.0° | 135.4° |
C7 | C6 | N5 | C9 | 37.5° | 45.8° |
C7 | C6 | N5 | H5 | 83.4° | 134.3° |
C6 | C7 | N8 | C10 | 35.4° | 47.4° |
C6 | C7 | N8 | H8 | 86.3° | 132.6° |
N8 | C7 | C6 | C1' | 177.8° | 173.8° |
N8 | C7 | C6 | N5 | 47.6° | 58.1° |
N8 | C7 | C6 | H6 | 65.8° | 64.6° |
C7 | N8 | C10 | H8 | 121.7° | 180.0° |
C7 | N8 | C10 | C9 | 12.0° | 17.8° |
C7 | N8 | C10 | N1 | 168.6° | 162.2° |
H7 | C7 | C6 | C1' | 50.6° | 65.6° |
H7 | C7 | C6 | N5 | 179.3° | 178.7° |
H7 | C7 | C6 | H6 | 65.8° | 56.0° |
H7 | C7 | N8 | C10 | 165.3° | 167.6° |
H7 | C7 | N8 | H8 | 43.6° | 12.3° |
C1' | C6 | N5 | H6 | 119.1° | 123.2° |
C1' | C6 | N5 | C9 | 165.6° | 160.3° |
C1' | C6 | N5 | H5 | 44.7° | 19.8° |
N5 | C6 | C1' | S1' | 80.7° | 109.9° |
C6 | N5 | C9 | H5 | 120.9° | 179.9° |
C6 | N5 | C9 | C10 | 17.4° | 16.4° |
C6 | N5 | C9 | C4 | 166.0° | 163.5° |
H6 | C6 | C1' | S1' | 37.3° | 13.8° |
H6 | C6 | N5 | C9 | 75.3° | 76.5° |
H6 | C6 | N5 | H5 | 163.7° | 103.4° |
N5 | C9 | C10 | N8 | 1.9° | 0.0° |
N5 | C9 | C10 | C4 | 176.8° | 179.9° |
N5 | C9 | C10 | N1 | 178.6° | 180.0° |
N5 | C9 | C4 | O4 | 2.0° | 0.1° |
N5 | C9 | C4 | N3 | 178.2° | 180.0° |
H5 | N5 | C9 | C10 | 103.5° | 163.7° |
H5 | N5 | C9 | C4 | 73.1° | 16.4° |
N8 | C10 | C9 | N1 | 179.5° | 179.9° |
N8 | C10 | C9 | C4 | 178.7° | 180.0° |
N8 | C10 | N1 | C2 | 179.0° | 180.0° |
N8 | C10 | N1 | H1 | 1.0° | 0.0° |
H8 | N8 | C10 | C9 | 109.7° | 162.2° |
H8 | N8 | C10 | N1 | 69.7° | 17.9° |
C10 | C9 | C4 | O4 | 178.8° | 180.0° |
C10 | C9 | C4 | N3 | 1.5° | 0.1° |
C9 | C10 | N1 | C2 | 1.5° | 0.1° |
C9 | C10 | N1 | H1 | 178.5° | 180.0° |
N1 | C10 | C9 | C4 | 1.7° | 0.1° |
C10 | N1 | C2 | N3 | 0.8° | 0.1° |
C10 | N1 | C2 | H1 | 180.0° | 179.9° |
C10 | N1 | C2 | N2 | 180.0° | 180.0° |
C9 | C4 | O4 | N3 | 179.7° | 179.9° |
C9 | C4 | N3 | C2 | 0.9° | 0.0° |
O4 | C4 | N3 | C2 | 179.5° | 180.0° |
C4 | N3 | C2 | N1 | 0.4° | 0.1° |
C4 | N3 | C2 | N2 | 179.5° | 180.0° |
N3 | C2 | N1 | N2 | 179.2° | 180.0° |
N3 | C2 | N1 | H1 | 179.2° | 180.0° |
N3 | C2 | N2 | H21 | 0.0° | 0.0° |
N3 | C2 | N2 | H22 | 180.0° | 180.0° |
N1 | C2 | N2 | H21 | 179.1° | 180.0° |
N1 | C2 | N2 | H22 | 0.9° | 0.0° |
N2 | C2 | N1 | H1 | 0.0° | 0.0° |
C2 | N2 | H21 | H22 | 180.0° | 180.0° |