P7G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C73 | C72 | sing | 1.53Å | 1.51Å | |
O6 | C6 | doub | 1.22Å | 1.24Å | |
C72 | C71 | sing | 1.53Å | 1.51Å | |
C6 | N1 | sing | 1.34Å | 1.33Å | |
C6 | C5 | sing | 1.41Å | 1.46Å | |
C71 | N7 | sing | 1.47Å | 1.47Å | |
N1 | C2 | doub | 1.32Å | 1.33Å | |
C5 | N7 | sing | 1.41Å | 1.33Å | |
C5 | C4 | doub | 1.36Å | 1.46Å | |
N7 | C8 | sing | 1.47Å | 1.43Å | |
C2 | N2 | sing | 1.37Å | 1.35Å | |
C2 | N3 | sing | 1.36Å | 1.34Å | |
C8 | N9 | sing | 1.47Å | 1.46Å | |
C4 | N3 | sing | 1.38Å | 1.34Å | |
C4 | N9 | sing | 1.38Å | 1.32Å | |
OP1 | P | doub | 1.48Å | 1.49Å | |
N9 | C1' | sing | 1.46Å | 1.48Å | |
P | O5' | sing | 1.61Å | 1.58Å | |
P | OP2 | sing | 1.61Å | 1.49Å | |
O5' | C5' | sing | 1.43Å | 1.42Å | |
C1' | C2' | sing | 1.55Å | 1.52Å | |
C1' | O4' | sing | 1.44Å | 1.41Å | |
C2' | C3' | sing | 1.55Å | 1.52Å | |
C2' | O2' | sing | 1.43Å | 1.42Å | |
C3' | O3' | sing | 1.43Å | 1.41Å | |
C3' | C4' | sing | 1.54Å | 1.51Å | |
O4' | C4' | sing | 1.44Å | 1.45Å | |
C5' | C4' | sing | 1.53Å | 1.51Å | |
P | OP3 | sing | 1.61Å | 1.60Å | |
C1' | H1 | sing | 1.09Å | 1.10Å | |
C2' | H2 | sing | 1.09Å | 1.10Å | |
C3' | H3 | sing | 1.09Å | 1.10Å | |
C4' | H4 | sing | 1.09Å | 1.10Å | |
C5' | H5 | sing | 1.09Å | 1.10Å | |
C5' | H6 | sing | 1.09Å | 1.10Å | |
C8 | H7 | sing | 1.09Å | 1.10Å | |
N2 | H8 | sing | 0.97Å | 1.00Å | |
N2 | H9 | sing | 0.97Å | 1.00Å | |
N3 | H10 | sing | 0.97Å | 1.00Å | |
O2' | H11 | sing | 0.97Å | 0.95Å | |
O3' | H12 | sing | 0.97Å | 0.95Å | |
OP2 | H13 | sing | 0.97Å | 0.95Å | |
C71 | H14 | sing | 1.09Å | 1.10Å | |
C71 | H15 | sing | 1.09Å | 1.10Å | |
C72 | H16 | sing | 1.09Å | 1.10Å | |
C72 | H17 | sing | 1.09Å | 1.10Å | |
C73 | H18 | sing | 1.09Å | 1.10Å | |
C73 | H19 | sing | 1.09Å | 1.10Å | |
C73 | H20 | sing | 1.09Å | 1.10Å | |
OP3 | H21 | sing | 0.97Å | 0.95Å | |
C8 | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C73 | C72 | C71 | 110.2° | 109.5° |
C73 | C72 | H16 | 109.3° | 109.5° |
C73 | C72 | H17 | 109.3° | 109.5° |
C72 | C73 | H18 | 109.5° | 109.5° |
C72 | C73 | H19 | 109.5° | 109.5° |
C72 | C73 | H20 | 109.5° | 109.5° |
O6 | C6 | N1 | 121.2° | 120.1° |
O6 | C6 | C5 | 122.7° | 120.2° |
C72 | C71 | N7 | 114.3° | 109.5° |
C72 | C71 | H14 | 108.3° | 109.5° |
C72 | C71 | H15 | 108.3° | 109.5° |
C71 | C72 | H16 | 109.3° | 109.5° |
C71 | C72 | H17 | 109.3° | 109.4° |
N1 | C6 | C5 | 116.2° | 119.7° |
C6 | N1 | C2 | 122.7° | 120.9° |
C6 | C5 | N7 | 133.9° | 131.0° |
C6 | C5 | C4 | 119.1° | 119.0° |
C71 | N7 | C5 | 135.2° | 126.7° |
C71 | N7 | C8 | 110.0° | 126.8° |
N7 | C71 | H14 | 108.2° | 109.4° |
N7 | C71 | H15 | 108.2° | 109.5° |
N1 | C2 | N2 | 118.5° | 119.3° |
N1 | C2 | N3 | 123.7° | 121.3° |
N7 | C5 | C4 | 107.0° | 110.0° |
C5 | N7 | C8 | 114.7° | 106.5° |
C5 | C4 | N3 | 118.1° | 118.8° |
C5 | C4 | N9 | 104.7° | 110.7° |
N7 | C8 | N9 | 97.9° | 105.2° |
N7 | C8 | H7 | 112.3° | 110.3° |
N7 | C8 | H22 | 112.3° | 110.4° |
N2 | C2 | N3 | 117.8° | 119.3° |
C2 | N2 | H8 | 120.0° | 120.0° |
C2 | N2 | H9 | 120.0° | 120.0° |
C2 | N3 | C4 | 120.2° | 120.3° |
C2 | N3 | H10 | 119.9° | 119.8° |
C8 | N9 | C4 | 115.6° | 107.6° |
C8 | N9 | C1' | 117.6° | 126.2° |
N9 | C8 | H7 | 112.3° | 110.3° |
N9 | C8 | H22 | 112.3° | 110.3° |
N3 | C4 | N9 | 137.1° | 130.5° |
C4 | N3 | H10 | 119.9° | 119.8° |
C4 | N9 | C1' | 126.8° | 126.2° |
OP1 | P | O5' | 105.8° | 109.5° |
OP1 | P | OP2 | 120.7° | 109.5° |
OP1 | P | OP3 | 107.3° | 109.5° |
N9 | C1' | C2' | 112.8° | 110.6° |
N9 | C1' | O4' | 110.5° | 110.7° |
N9 | C1' | H1 | 108.6° | 110.7° |
O5' | P | OP2 | 107.9° | 109.4° |
P | O5' | C5' | 122.6° | 123.0° |
O5' | P | OP3 | 104.9° | 109.5° |
OP2 | P | OP3 | 109.1° | 109.5° |
P | OP2 | H13 | 109.5° | 114.0° |
O5' | C5' | C4' | 110.7° | 109.5° |
O5' | C5' | H5 | 109.2° | 109.5° |
O5' | C5' | H6 | 109.2° | 109.4° |
C2' | C1' | O4' | 107.3° | 103.4° |
C1' | C2' | C3' | 101.0° | 102.1° |
C1' | C2' | O2' | 108.1° | 110.9° |
C2' | C1' | H1 | 108.0° | 110.6° |
C1' | C2' | H2 | 111.6° | 110.9° |
C1' | O4' | C4' | 109.7° | 107.0° |
O4' | C1' | H1 | 109.5° | 110.6° |
C3' | C2' | O2' | 110.6° | 110.9° |
C2' | C3' | O3' | 114.7° | 110.5° |
C2' | C3' | C4' | 101.9° | 104.2° |
C3' | C2' | H2 | 111.7° | 110.9° |
C2' | C3' | H3 | 107.8° | 110.5° |
O2' | C2' | H2 | 113.3° | 110.8° |
C2' | O2' | H11 | 109.5° | 114.0° |
O3' | C3' | C4' | 114.6° | 110.5° |
O3' | C3' | H3 | 109.3° | 110.5° |
C3' | O3' | H12 | 109.5° | 114.0° |
C3' | C4' | O4' | 102.8° | 107.3° |
C3' | C4' | C5' | 116.1° | 109.9° |
C4' | C3' | H3 | 108.0° | 110.6° |
C3' | C4' | H4 | 109.3° | 109.9° |
O4' | C4' | C5' | 109.0° | 110.0° |
O4' | C4' | H4 | 110.1° | 109.9° |
C5' | C4' | H4 | 109.3° | 109.9° |
C4' | C5' | H5 | 109.2° | 109.5° |
C4' | C5' | H6 | 109.2° | 109.5° |
P | OP3 | H21 | 109.5° | 114.0° |
H5 | C5' | H6 | 109.5° | 109.5° |
H7 | C8 | H22 | 109.5° | 110.3° |
H8 | N2 | H9 | 120.0° | 120.0° |
H14 | C71 | H15 | 109.4° | 109.5° |
H16 | C72 | H17 | 109.5° | 109.4° |
H18 | C73 | H19 | 109.5° | 109.5° |
H18 | C73 | H20 | 109.5° | 109.5° |
H19 | C73 | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C73 | C72 | C71 | H16 | 120.1° | 120.0° |
C73 | C72 | C71 | H17 | 120.1° | 120.0° |
C73 | C72 | C71 | N7 | 158.9° | 180.0° |
C73 | C72 | C71 | H14 | 38.2° | 60.1° |
C73 | C72 | C71 | H15 | 80.3° | 60.0° |
C73 | C72 | H16 | H17 | 119.7° | 120.1° |
C72 | C73 | H18 | H19 | 120.0° | 120.0° |
C72 | C73 | H18 | H20 | 120.0° | 120.0° |
C72 | C73 | H19 | H20 | 120.0° | 120.0° |
O6 | C6 | N1 | C5 | 178.9° | 179.9° |
O6 | C6 | N1 | C2 | 179.5° | 179.9° |
O6 | C6 | C5 | N7 | 2.1° | 0.1° |
O6 | C6 | C5 | C4 | 180.0° | 179.8° |
C72 | C71 | N7 | H14 | 120.7° | 120.0° |
C72 | C71 | N7 | H15 | 120.7° | 120.0° |
C72 | C71 | N7 | C5 | 59.2° | 90.0° |
C72 | C71 | N7 | C8 | 122.7° | 90.0° |
C72 | C71 | H14 | H15 | 117.8° | 120.0° |
C71 | C72 | H16 | H17 | 119.7° | 119.9° |
C71 | C72 | C73 | H18 | 180.0° | 60.0° |
C71 | C72 | C73 | H19 | 60.0° | 60.0° |
C71 | C72 | C73 | H20 | 60.0° | 180.0° |
N1 | C6 | C5 | N7 | 179.0° | 179.9° |
N1 | C6 | C5 | C4 | 1.2° | 0.3° |
C6 | N1 | C2 | N2 | 179.9° | 179.9° |
C6 | N1 | C2 | N3 | 0.2° | 0.3° |
C6 | C5 | N7 | C71 | 3.2° | 0.4° |
C5 | C6 | N1 | C2 | 0.6° | 0.0° |
C6 | C5 | N7 | C4 | 178.1° | 179.6° |
C6 | C5 | N7 | C8 | 178.8° | 179.7° |
C6 | C5 | C4 | N3 | 1.3° | 0.3° |
C6 | C5 | C4 | N9 | 179.7° | 179.8° |
C71 | N7 | C5 | C8 | 178.0° | 180.0° |
C71 | N7 | C5 | C4 | 178.7° | 180.0° |
C71 | N7 | C8 | N9 | 178.5° | 180.0° |
C71 | N7 | C8 | H7 | 60.4° | 61.1° |
N7 | C71 | H14 | H15 | 117.8° | 120.0° |
N7 | C71 | C72 | H16 | 80.9° | 60.0° |
N7 | C71 | C72 | H17 | 38.8° | 59.9° |
C71 | N7 | C8 | H22 | 63.5° | 61.0° |
N1 | C2 | N2 | N3 | 179.7° | 179.8° |
N1 | C2 | N3 | C4 | 0.3° | 0.2° |
N1 | C2 | N2 | H8 | 0.0° | 179.7° |
N1 | C2 | N2 | H9 | 180.0° | 0.2° |
N1 | C2 | N3 | H10 | 179.7° | 179.7° |
C5 | N7 | C8 | N9 | 0.0° | 0.0° |
N7 | C5 | C4 | N3 | 179.7° | 180.0° |
N7 | C5 | C4 | N9 | 1.3° | 0.1° |
C5 | N7 | C8 | H7 | 118.1° | 119.0° |
C5 | N7 | C71 | H14 | 61.5° | 150.0° |
C5 | N7 | C71 | H15 | 180.0° | 30.0° |
C5 | N7 | C8 | H22 | 118.1° | 118.9° |
C4 | C5 | N7 | C8 | 0.8° | 0.0° |
C5 | C4 | N3 | C2 | 0.9° | 0.1° |
C5 | C4 | N9 | C8 | 1.4° | 0.1° |
C5 | C4 | N3 | N9 | 178.7° | 179.9° |
C5 | C4 | N9 | C1' | 180.0° | 180.0° |
C5 | C4 | N3 | H10 | 179.2° | 180.0° |
N7 | C8 | N9 | H7 | 118.1° | 119.0° |
N7 | C8 | N9 | H22 | 118.1° | 119.0° |
N7 | C8 | N9 | C4 | 0.9° | 0.0° |
N7 | C8 | N9 | C1' | 179.7° | 180.0° |
N7 | C8 | H7 | H22 | 125.4° | 122.2° |
C8 | N7 | C71 | H14 | 116.5° | 30.0° |
C8 | N7 | C71 | H15 | 2.0° | 150.0° |
N2 | C2 | N3 | C4 | 180.0° | 180.0° |
C2 | N2 | H8 | H9 | 180.0° | 179.9° |
N2 | C2 | N3 | H10 | 0.0° | 0.1° |
C2 | N3 | C4 | H10 | 180.0° | 179.9° |
C2 | N3 | C4 | N9 | 179.5° | 180.0° |
N3 | C2 | N2 | H8 | 179.7° | 0.1° |
N3 | C2 | N2 | H9 | 0.3° | 180.0° |
C8 | N9 | C4 | N3 | 179.9° | 180.0° |
C8 | N9 | C4 | C1' | 178.6° | 179.9° |
C8 | N9 | C1' | C2' | 102.4° | 115.1° |
C8 | N9 | C1' | O4' | 17.8° | 130.9° |
C8 | N9 | C1' | H1 | 138.0° | 7.9° |
N9 | C8 | H7 | H22 | 125.4° | 122.0° |
N3 | C4 | N9 | C1' | 1.2° | 0.1° |
C4 | N9 | C1' | C2' | 79.0° | 65.0° |
C4 | N9 | C1' | O4' | 160.8° | 49.0° |
C4 | N9 | C1' | H1 | 40.7° | 172.0° |
C4 | N9 | C8 | H7 | 119.0° | 118.9° |
N9 | C4 | N3 | H10 | 0.5° | 0.1° |
C4 | N9 | C8 | H22 | 117.2° | 119.1° |
OP1 | P | O5' | OP2 | 130.4° | 120.0° |
OP1 | P | O5' | OP3 | 113.3° | 120.1° |
OP1 | P | OP2 | OP3 | 124.9° | 120.1° |
OP1 | P | O5' | C5' | 177.7° | 54.9° |
OP1 | P | OP2 | H13 | 0.0° | 180.0° |
OP1 | P | OP3 | H21 | 0.0° | 60.0° |
N9 | C1' | C2' | O4' | 122.0° | 118.5° |
N9 | C1' | C2' | H1 | 120.0° | 123.1° |
N9 | C1' | O4' | H1 | 119.6° | 123.1° |
N9 | C1' | C2' | C3' | 97.9° | 155.5° |
N9 | C1' | C2' | O2' | 146.0° | 86.3° |
N9 | C1' | O4' | C4' | 124.2° | 158.5° |
N9 | C1' | C2' | H2 | 20.8° | 37.3° |
C1' | N9 | C8 | H7 | 62.2° | 61.0° |
C1' | N9 | C8 | H22 | 61.6° | 61.0° |
O5' | P | OP2 | OP3 | 113.4° | 120.0° |
P | O5' | C5' | C4' | 157.4° | 180.0° |
P | O5' | C5' | H5 | 82.4° | 60.0° |
P | O5' | C5' | H6 | 37.2° | 60.1° |
O5' | P | OP2 | H13 | 121.7° | 60.0° |
O5' | P | OP3 | H21 | 112.2° | 180.0° |
OP2 | P | O5' | C5' | 47.3° | 65.0° |
OP2 | P | OP3 | H21 | 132.4° | 60.0° |
O5' | C5' | C4' | C3' | 78.7° | 175.0° |
O5' | C5' | C4' | O4' | 36.8° | 67.1° |
O5' | C5' | C4' | H5 | 120.2° | 120.0° |
O5' | C5' | C4' | H6 | 120.2° | 119.9° |
C5' | O5' | P | OP3 | 69.0° | 175.0° |
O5' | C5' | C4' | H4 | 157.2° | 54.0° |
O5' | C5' | H5 | H6 | 119.4° | 120.0° |
C2' | C1' | O4' | H1 | 117.1° | 118.4° |
C1' | C2' | C3' | O2' | 114.2° | 118.2° |
C1' | C2' | C3' | H2 | 118.7° | 118.2° |
C1' | C2' | O2' | H2 | 124.1° | 123.6° |
C1' | C2' | C3' | O3' | 163.0° | 97.8° |
C1' | C2' | C3' | C4' | 38.6° | 20.9° |
C2' | C1' | O4' | C4' | 0.8° | 40.1° |
C1' | C2' | C3' | H3 | 75.0° | 139.7° |
C1' | C2' | O2' | H11 | 180.0° | 180.0° |
O4' | C1' | C2' | C3' | 24.1° | 37.0° |
O4' | C1' | C2' | O2' | 92.0° | 155.2° |
C1' | O4' | C4' | C3' | 25.7° | 26.5° |
C1' | O4' | C4' | C5' | 149.4° | 146.0° |
O4' | C1' | C2' | H2 | 142.8° | 81.2° |
C1' | O4' | C4' | H4 | 90.6° | 92.9° |
C3' | C2' | O2' | H2 | 126.2° | 123.6° |
C2' | C3' | O3' | C4' | 117.4° | 114.8° |
C2' | C3' | O3' | H3 | 121.2° | 122.6° |
C2' | C3' | C4' | H3 | 113.4° | 118.7° |
C2' | C3' | C4' | O4' | 39.9° | 2.0° |
C2' | C3' | C4' | C5' | 158.8° | 121.6° |
C3' | C2' | C1' | H1 | 142.1° | 81.4° |
C2' | C3' | C4' | H4 | 77.0° | 117.4° |
C3' | C2' | O2' | H11 | 70.4° | 67.3° |
C2' | C3' | O3' | H12 | 180.0° | 61.5° |
O2' | C2' | C3' | O3' | 48.8° | 20.4° |
O2' | C2' | C3' | C4' | 75.6° | 139.1° |
O2' | C2' | C1' | H1 | 26.0° | 36.8° |
O2' | C2' | C3' | H3 | 170.8° | 102.1° |
O3' | C3' | C4' | H3 | 122.1° | 122.6° |
O3' | C3' | C4' | O4' | 164.4° | 120.7° |
O3' | C3' | C4' | C5' | 76.7° | 119.7° |
O3' | C3' | C2' | H2 | 78.3° | 144.0° |
O3' | C3' | C4' | H4 | 47.5° | 1.3° |
C3' | C4' | O4' | C5' | 123.8° | 119.5° |
C3' | C4' | O4' | H4 | 116.3° | 119.4° |
C3' | C4' | C5' | H4 | 124.1° | 121.0° |
C4' | C3' | C2' | H2 | 157.2° | 97.3° |
C3' | C4' | C5' | H5 | 41.5° | 55.0° |
C3' | C4' | C5' | H6 | 161.1° | 65.1° |
C4' | C3' | O3' | H12 | 62.6° | 176.2° |
O4' | C4' | C5' | H4 | 120.4° | 121.1° |
C4' | O4' | C1' | H1 | 116.3° | 78.4° |
O4' | C4' | C3' | H3 | 73.5° | 116.7° |
O4' | C4' | C5' | H5 | 157.0° | 172.9° |
O4' | C4' | C5' | H6 | 83.4° | 52.8° |
C5' | C4' | C3' | H3 | 45.4° | 2.9° |
C4' | C5' | H5 | H6 | 119.4° | 120.0° |
OP3 | P | OP2 | H13 | 124.9° | 60.0° |
H1 | C1' | C2' | H2 | 99.1° | 160.4° |
H2 | C2' | C3' | H3 | 43.7° | 21.4° |
H2 | C2' | O2' | H11 | 55.9° | 56.4° |
H3 | C3' | C4' | H4 | 169.6° | 123.9° |
H3 | C3' | O3' | H12 | 58.8° | 61.1° |
H4 | C4' | C5' | H5 | 82.6° | 66.0° |
H4 | C4' | C5' | H6 | 37.0° | 173.9° |
H14 | C71 | C72 | H16 | 158.3° | 179.9° |
H14 | C71 | C72 | H17 | 81.9° | 60.0° |
H15 | C71 | C72 | H16 | 39.8° | 60.0° |
H15 | C71 | C72 | H17 | 159.6° | 180.0° |
H16 | C72 | C73 | H18 | 59.9° | 180.0° |
H16 | C72 | C73 | H19 | 60.1° | 60.0° |
H16 | C72 | C73 | H20 | 179.9° | 60.0° |
H17 | C72 | C73 | H18 | 59.9° | 60.0° |
H17 | C72 | C73 | H19 | 179.9° | 180.0° |
H17 | C72 | C73 | H20 | 60.1° | 60.0° |
H18 | C73 | H19 | H20 | 120.0° | 120.0° |