93D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N4 | C4 | sing | 1.38Å | 1.37Å | |
C4 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C4 | N5 | sing | 1.33Å | 1.50Å | Aromatic |
N3 | C2 | sing | 1.33Å | 1.34Å | Aromatic |
N5 | C6 | doub | 1.32Å | 1.49Å | Aromatic |
C2 | N2 | sing | 1.38Å | 1.37Å | |
C2 | C1 | doub | 1.40Å | 1.35Å | Aromatic |
C6 | C1 | sing | 1.38Å | 1.34Å | Aromatic |
C1 | C1' | sing | 1.51Å | 1.48Å | |
C1' | O4' | sing | 1.44Å | 1.42Å | |
C1' | C2' | sing | 1.54Å | 1.51Å | |
O4' | C4' | sing | 1.44Å | 1.46Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
OP3 | P | sing | 1.61Å | 1.49Å | |
C4' | C5' | sing | 1.53Å | 1.50Å | |
C4' | C3' | sing | 1.54Å | 1.53Å | |
P | O5' | sing | 1.61Å | 1.58Å | |
P | OP2 | sing | 1.61Å | 1.49Å | |
O5' | C5' | sing | 1.43Å | 1.43Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
C5' | H2 | sing | 1.09Å | 1.10Å | |
C5' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C3' | H5 | sing | 1.09Å | 1.10Å | |
O3' | H6 | sing | 0.97Å | 0.95Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
C1' | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.08Å | 1.08Å | |
N2 | H11 | sing | 0.97Å | 1.00Å | |
N2 | H12 | sing | 0.97Å | 1.00Å | |
N4 | H13 | sing | 0.97Å | 1.00Å | |
N4 | H14 | sing | 0.97Å | 1.00Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å | |
P | OP1 | doub | 1.48Å | 36.44Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N4 | C4 | N3 | 118.3° | 119.2° |
N4 | C4 | N5 | 120.6° | 119.1° |
C4 | N4 | H13 | 109.5° | 120.0° |
C4 | N4 | H14 | 109.5° | 120.0° |
N3 | C4 | N5 | 121.1° | 121.7° |
C4 | N3 | C2 | 119.3° | 120.6° |
C4 | N5 | C6 | 112.5° | 120.9° |
N3 | C2 | N2 | 115.2° | 120.5° |
N3 | C2 | C1 | 126.5° | 119.0° |
N5 | C6 | C1 | 122.7° | 119.3° |
N5 | C6 | H10 | 118.6° | 120.3° |
N2 | C2 | C1 | 118.3° | 120.5° |
C2 | N2 | H11 | 109.5° | 120.0° |
C2 | N2 | H12 | 109.5° | 120.0° |
C2 | C1 | C6 | 117.9° | 118.5° |
C2 | C1 | C1' | 118.3° | 120.7° |
C6 | C1 | C1' | 123.8° | 120.8° |
C1 | C6 | H10 | 118.6° | 120.4° |
C1 | C1' | O4' | 108.6° | 110.4° |
C1 | C1' | C2' | 114.8° | 110.4° |
C1 | C1' | H9 | 110.3° | 110.4° |
O4' | C1' | C2' | 102.0° | 104.8° |
C1' | O4' | C4' | 107.7° | 105.3° |
O4' | C1' | H9 | 111.2° | 110.3° |
C1' | C2' | C3' | 101.4° | 104.1° |
C1' | C2' | H7 | 111.5° | 110.5° |
C1' | C2' | H8 | 111.5° | 110.6° |
C2' | C1' | H9 | 109.8° | 110.4° |
O4' | C4' | C5' | 112.3° | 110.4° |
O4' | C4' | C3' | 106.1° | 104.8° |
O4' | C4' | H4 | 110.0° | 110.5° |
C2' | C3' | C4' | 102.4° | 104.1° |
C2' | C3' | O3' | 116.9° | 110.5° |
C2' | C3' | H5 | 109.2° | 110.6° |
C3' | C2' | H7 | 111.4° | 110.4° |
C3' | C2' | H8 | 111.4° | 110.5° |
OP3 | P | O5' | 113.5° | 109.4° |
OP3 | P | OP2 | 120.4° | 109.5° |
P | OP3 | HOP3 | 109.5° | 114.0° |
OP3 | P | OP1 | 83.1° | 109.5° |
C5' | C4' | C3' | 110.0° | 110.4° |
C4' | C5' | O5' | 108.0° | 109.5° |
C4' | C5' | H2 | 109.9° | 109.5° |
C4' | C5' | H3 | 109.8° | 109.5° |
C5' | C4' | H4 | 109.3° | 110.3° |
C4' | C3' | O3' | 108.2° | 110.5° |
C3' | C4' | H4 | 109.0° | 110.4° |
C4' | C3' | H5 | 109.2° | 110.5° |
O5' | P | OP2 | 102.4° | 109.5° |
P | O5' | C5' | 116.4° | 123.0° |
O5' | P | OP1 | 49.9° | 109.5° |
P | OP2 | HOP2 | 109.5° | 114.0° |
OP2 | P | OP1 | 151.3° | 109.5° |
O5' | C5' | H2 | 109.9° | 109.5° |
O5' | C5' | H3 | 109.8° | 109.5° |
O3' | C3' | H5 | 110.5° | 110.4° |
C3' | O3' | H6 | 109.5° | 114.0° |
H2 | C5' | H3 | 109.5° | 109.5° |
H7 | C2' | H8 | 109.5° | 110.5° |
H11 | N2 | H12 | 109.4° | 119.9° |
H13 | N4 | H14 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N4 | C4 | N3 | N5 | 179.8° | 179.6° |
N4 | C4 | N3 | C2 | 179.8° | 180.0° |
N4 | C4 | N5 | C6 | 179.9° | 179.7° |
C4 | N4 | H13 | H14 | 120.0° | 180.0° |
N3 | C4 | N5 | C6 | 0.2° | 0.0° |
C4 | N3 | C2 | N2 | 179.9° | 179.9° |
C4 | N3 | C2 | C1 | 0.0° | 0.6° |
N3 | C4 | N4 | H13 | 0.0° | 0.0° |
N3 | C4 | N4 | H14 | 120.0° | 180.0° |
N5 | C4 | N3 | C2 | 0.0° | 0.3° |
C4 | N5 | C6 | C1 | 0.3° | 0.0° |
C4 | N5 | C6 | H10 | 179.7° | 180.0° |
N5 | C4 | N4 | H13 | 179.7° | 179.7° |
N5 | C4 | N4 | H14 | 59.7° | 0.3° |
N3 | C2 | N2 | C1 | 179.9° | 179.5° |
N3 | C2 | C1 | C6 | 0.1° | 0.5° |
N3 | C2 | C1 | C1' | 179.8° | 179.8° |
N3 | C2 | N2 | H11 | 0.0° | 0.0° |
N3 | C2 | N2 | H12 | 120.0° | 180.0° |
N5 | C6 | C1 | C2 | 0.3° | 0.2° |
N5 | C6 | C1 | H10 | 180.0° | 180.0° |
N5 | C6 | C1 | C1' | 179.7° | 179.9° |
N2 | C2 | C1 | C6 | 179.8° | 180.0° |
N2 | C2 | C1 | C1' | 0.3° | 0.3° |
C2 | N2 | H11 | H12 | 120.0° | 179.9° |
C2 | C1 | C6 | C1' | 179.9° | 179.7° |
C2 | C1 | C1' | O4' | 102.2° | 156.7° |
C2 | C1 | C1' | C2' | 144.4° | 87.9° |
C2 | C1 | C1' | H9 | 19.8° | 34.5° |
C2 | C1 | C6 | H10 | 179.7° | 179.8° |
C1 | C2 | N2 | H11 | 179.9° | 179.5° |
C1 | C2 | N2 | H12 | 59.9° | 0.5° |
C6 | C1 | C1' | O4' | 77.7° | 23.6° |
C6 | C1 | C1' | C2' | 35.7° | 91.8° |
C6 | C1 | C1' | H9 | 160.3° | 145.8° |
C1 | C1' | O4' | C2' | 121.5° | 118.8° |
C1 | C1' | O4' | H9 | 121.5° | 122.3° |
C1 | C1' | C2' | H9 | 124.9° | 122.4° |
C1 | C1' | O4' | C4' | 159.9° | 159.3° |
C1 | C1' | C2' | C3' | 162.3° | 142.8° |
C1 | C1' | C2' | H7 | 79.0° | 24.2° |
C1 | C1' | C2' | H8 | 43.7° | 98.5° |
C1' | C1 | C6 | H10 | 0.3° | 0.0° |
O4' | C1' | C2' | H9 | 118.0° | 118.8° |
O4' | C1' | C2' | C3' | 45.2° | 24.0° |
C1' | O4' | C4' | C5' | 136.3° | 159.3° |
C1' | O4' | C4' | C3' | 16.1° | 40.5° |
C1' | O4' | C4' | H4 | 101.7° | 78.4° |
O4' | C1' | C2' | H7 | 163.8° | 94.6° |
O4' | C1' | C2' | H8 | 73.5° | 142.6° |
C2' | C1' | O4' | C4' | 38.3° | 40.5° |
C1' | C2' | C3' | H7 | 118.7° | 118.6° |
C1' | C2' | C3' | H8 | 118.7° | 118.8° |
C1' | C2' | C3' | C4' | 34.7° | 0.0° |
C1' | C2' | C3' | O3' | 83.3° | 118.6° |
C1' | C2' | C3' | H5 | 150.3° | 118.7° |
C1' | C2' | H7 | H8 | 123.8° | 122.8° |
O4' | C4' | C3' | C2' | 12.7° | 24.0° |
O4' | C4' | C5' | C3' | 117.9° | 115.4° |
O4' | C4' | C5' | H4 | 122.4° | 122.3° |
O4' | C4' | C3' | H4 | 118.4° | 119.0° |
O4' | C4' | C5' | O5' | 78.2° | 69.6° |
O4' | C4' | C3' | O3' | 111.3° | 142.6° |
O4' | C4' | C5' | H2 | 41.6° | 50.4° |
O4' | C4' | C5' | H3 | 162.1° | 170.4° |
O4' | C4' | C3' | H5 | 128.4° | 94.8° |
C4' | O4' | C1' | H9 | 78.7° | 78.4° |
C2' | C3' | C4' | C5' | 109.0° | 142.8° |
C2' | C3' | C4' | O3' | 124.0° | 118.6° |
C2' | C3' | C4' | H5 | 115.7° | 118.8° |
C2' | C3' | O3' | H5 | 125.7° | 122.8° |
C2' | C3' | C4' | H4 | 131.1° | 95.0° |
C2' | C3' | O3' | H6 | 180.0° | 65.4° |
C3' | C2' | H7 | H8 | 123.7° | 122.6° |
C3' | C2' | C1' | H9 | 72.8° | 94.9° |
OP3 | P | O5' | OP2 | 131.3° | 120.0° |
OP3 | P | O5' | OP1 | 57.4° | 120.0° |
OP3 | P | OP2 | OP1 | 141.1° | 120.0° |
OP3 | P | O5' | C5' | 166.1° | 65.0° |
OP3 | P | OP2 | HOP2 | 180.0° | 60.0° |
C5' | C4' | C3' | H4 | 119.9° | 122.2° |
C4' | C5' | O5' | P | 150.7° | 180.0° |
C4' | C5' | O5' | H2 | 119.8° | 120.0° |
C4' | C5' | O5' | H3 | 119.7° | 120.0° |
C5' | C4' | C3' | O3' | 127.0° | 98.5° |
C4' | C5' | H2 | H3 | 120.7° | 120.0° |
C5' | C4' | C3' | H5 | 6.7° | 24.0° |
C3' | C4' | C5' | O5' | 39.7° | 175.0° |
C4' | C3' | O3' | H5 | 119.4° | 122.6° |
C3' | C4' | C5' | H2 | 159.5° | 65.0° |
C3' | C4' | C5' | H3 | 80.0° | 55.0° |
C4' | C3' | O3' | H6 | 65.2° | 180.0° |
C4' | C3' | C2' | H7 | 153.3° | 118.6° |
C4' | C3' | C2' | H8 | 84.0° | 118.8° |
O5' | P | OP2 | OP1 | 14.0° | 120.0° |
O5' | P | OP2 | HOP2 | 52.9° | 179.9° |
P | O5' | C5' | H2 | 30.9° | 60.0° |
P | O5' | C5' | H3 | 89.5° | 60.0° |
O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
OP2 | P | O5' | C5' | 62.6° | 175.0° |
OP2 | P | OP3 | HOP3 | 58.2° | 59.9° |
O5' | C5' | H2 | H3 | 120.7° | 120.0° |
O5' | C5' | C4' | H4 | 159.5° | 52.8° |
C5' | O5' | P | OP1 | 108.7° | 55.0° |
O3' | C3' | C4' | H4 | 7.1° | 23.7° |
O3' | C3' | C2' | H7 | 35.3° | 122.7° |
O3' | C3' | C2' | H8 | 157.9° | 0.1° |
HOP2 | OP2 | P | OP1 | 38.9° | 60.1° |
H2 | C5' | C4' | H4 | 80.8° | 172.8° |
H3 | C5' | C4' | H4 | 39.7° | 67.3° |
H4 | C4' | C3' | H5 | 113.2° | 146.2° |
H5 | C3' | O3' | H6 | 54.3° | 57.4° |
H5 | C3' | C2' | H7 | 91.0° | 0.1° |
H5 | C3' | C2' | H8 | 31.6° | 122.5° |
H7 | C2' | C1' | H9 | 45.9° | 146.6° |
H8 | C2' | C1' | H9 | 168.5° | 23.8° |
HOP3 | OP3 | P | OP1 | 139.5° | 180.0° |