1OR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C27 | C28 | sing | 1.53Å | 1.51Å | |
C27 | C26 | sing | 1.53Å | 1.52Å | |
C23 | C24 | sing | 1.53Å | 1.57Å | |
C23 | N6 | sing | 1.47Å | 1.46Å | |
C24 | C25 | sing | 1.53Å | 1.54Å | |
C26 | N6 | sing | 1.47Å | 1.49Å | |
N6 | C6 | sing | 1.38Å | 1.37Å | |
C6 | N1 | doub | 1.33Å | 1.38Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C5 | C4 | doub | 1.40Å | 1.44Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C8 | N9 | sing | 1.36Å | 1.37Å | Aromatic |
C4 | N3 | sing | 1.33Å | 1.39Å | Aromatic |
C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
N9 | C1' | sing | 1.47Å | 1.47Å | |
C2' | O2' | sing | 1.43Å | 1.41Å | |
C2' | C1' | sing | 1.53Å | 1.53Å | |
C2' | C3' | sing | 1.53Å | 1.53Å | |
C1' | O4' | sing | 1.45Å | 1.47Å | |
C3' | O3' | sing | 1.43Å | 1.43Å | |
C3' | C4' | sing | 1.55Å | 1.52Å | |
O4' | C4' | sing | 1.43Å | 1.46Å | |
O3' | P | sing | 1.63Å | 1.61Å | |
C4' | C5' | sing | 1.52Å | 1.52Å | |
O2P | P | doub | 1.48Å | 1.48Å | |
P | O5' | sing | 1.62Å | 1.59Å | |
P | O1P | sing | 1.61Å | 1.47Å | |
C5' | O5' | sing | 1.45Å | 1.42Å | |
O1P | H1 | 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 | |
C2' | H6 | sing | 1.09Å | 1.10Å | |
O2' | H7 | sing | 0.97Å | 0.95Å | |
C1' | H8 | sing | 1.09Å | 1.10Å | |
C2 | H9 | sing | 1.08Å | 1.08Å | |
C8 | H10 | sing | 1.08Å | 1.08Å | |
C26 | H11 | sing | 1.09Å | 1.10Å | |
C26 | H12 | sing | 1.09Å | 1.10Å | |
C27 | H13 | sing | 1.09Å | 1.10Å | |
C27 | H14 | sing | 1.09Å | 1.10Å | |
C28 | H15 | sing | 1.09Å | 1.10Å | |
C28 | H16 | sing | 1.09Å | 1.10Å | |
C28 | H17 | sing | 1.09Å | 1.10Å | |
C23 | H18 | sing | 1.09Å | 1.10Å | |
C23 | H19 | sing | 1.09Å | 1.10Å | |
C24 | H20 | sing | 1.09Å | 1.10Å | |
C24 | H21 | sing | 1.09Å | 1.10Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C28 | C27 | C26 | 105.3° | 109.4° |
C28 | C27 | H13 | 110.5° | 109.5° |
C28 | C27 | H14 | 110.5° | 109.5° |
C27 | C28 | H15 | 109.5° | 109.4° |
C27 | C28 | H16 | 109.5° | 109.5° |
C27 | C28 | H17 | 109.5° | 109.5° |
C27 | C26 | N6 | 115.6° | 109.5° |
C27 | C26 | H11 | 107.9° | 109.5° |
C27 | C26 | H12 | 107.9° | 109.5° |
C26 | C27 | H13 | 110.5° | 109.5° |
C26 | C27 | H14 | 110.5° | 109.4° |
C24 | C23 | N6 | 107.7° | 109.5° |
C23 | C24 | C25 | 114.4° | 109.5° |
C24 | C23 | H18 | 109.9° | 109.5° |
C24 | C23 | H19 | 109.9° | 109.4° |
C23 | C24 | H20 | 108.2° | 109.5° |
C23 | C24 | H21 | 108.2° | 109.5° |
C23 | N6 | C26 | 117.2° | 111.0° |
C23 | N6 | C6 | 120.1° | 111.0° |
N6 | C23 | H18 | 109.9° | 109.5° |
N6 | C23 | H19 | 109.9° | 109.5° |
C25 | C24 | H20 | 108.2° | 109.5° |
C25 | C24 | H21 | 108.2° | 109.5° |
C24 | C25 | H22 | 109.5° | 109.5° |
C24 | C25 | H23 | 109.5° | 109.5° |
C24 | C25 | H24 | 109.5° | 109.5° |
C26 | N6 | C6 | 122.7° | 111.0° |
N6 | C26 | H11 | 107.9° | 109.5° |
N6 | C26 | H12 | 107.9° | 109.5° |
N6 | C6 | N1 | 120.4° | 120.7° |
N6 | C6 | C5 | 122.2° | 120.8° |
N1 | C6 | C5 | 117.5° | 118.5° |
C6 | N1 | C2 | 121.9° | 121.2° |
C6 | C5 | N7 | 134.1° | 134.7° |
C6 | C5 | C4 | 120.4° | 118.2° |
N1 | C2 | N3 | 121.0° | 122.5° |
N1 | C2 | H9 | 119.5° | 118.8° |
C5 | N7 | C8 | 109.7° | 109.4° |
N7 | C5 | C4 | 105.5° | 107.1° |
N7 | C8 | N9 | 110.7° | 110.0° |
N7 | C8 | H10 | 124.7° | 125.0° |
C5 | C4 | N3 | 116.2° | 119.1° |
C5 | C4 | N9 | 106.6° | 106.0° |
C2 | N3 | C4 | 123.1° | 120.6° |
N3 | C2 | H9 | 119.5° | 118.7° |
C8 | N9 | C4 | 107.5° | 107.5° |
C8 | N9 | C1' | 118.1° | 126.3° |
N9 | C8 | H10 | 124.6° | 125.0° |
N3 | C4 | N9 | 137.2° | 134.9° |
C4 | N9 | C1' | 134.3° | 126.2° |
N9 | C1' | C2' | 109.0° | 109.9° |
N9 | C1' | O4' | 116.3° | 109.8° |
N9 | C1' | H8 | 107.6° | 110.0° |
O2' | C2' | C1' | 108.7° | 110.7° |
O2' | C2' | C3' | 118.6° | 110.6° |
O2' | C2' | H6 | 109.7° | 110.6° |
C2' | O2' | H7 | 109.5° | 114.0° |
C1' | C2' | C3' | 102.9° | 103.3° |
C2' | C1' | O4' | 108.9° | 107.2° |
C1' | C2' | H6 | 108.2° | 110.6° |
C2' | C1' | H8 | 106.9° | 110.0° |
C2' | C3' | O3' | 123.9° | 114.6° |
C2' | C3' | C4' | 99.9° | 100.9° |
C2' | C3' | H5 | 105.1° | 111.9° |
C3' | C2' | H6 | 108.2° | 110.8° |
C1' | O4' | C4' | 104.7° | 105.4° |
O4' | C1' | H8 | 107.7° | 109.8° |
O3' | C3' | C4' | 115.0° | 106.1° |
C3' | O3' | P | 116.0° | 116.6° |
O3' | C3' | H5 | 106.2° | 111.2° |
C3' | C4' | O4' | 107.6° | 102.3° |
C3' | C4' | C5' | 109.2° | 109.1° |
C3' | C4' | H4 | 107.6° | 109.5° |
C4' | C3' | H5 | 105.2° | 111.5° |
O4' | C4' | C5' | 115.9° | 116.5° |
O4' | C4' | H4 | 108.5° | 109.5° |
O3' | P | O2P | 113.4° | 110.0° |
O3' | P | O5' | 97.3° | 106.8° |
O3' | P | O1P | 116.7° | 110.0° |
C4' | C5' | O5' | 103.0° | 106.7° |
C4' | C5' | H2 | 111.1° | 110.1° |
C4' | C5' | H3 | 111.1° | 110.0° |
C5' | C4' | H4 | 107.7° | 109.5° |
O2P | P | O5' | 113.1° | 110.0° |
O2P | P | O1P | 106.6° | 110.0° |
O5' | P | O1P | 109.7° | 110.0° |
P | O5' | C5' | 124.6° | 120.3° |
P | O1P | H1 | 109.5° | 114.0° |
O5' | C5' | H2 | 111.0° | 110.0° |
O5' | C5' | H3 | 111.1° | 110.0° |
H2 | C5' | H3 | 109.5° | 110.0° |
H11 | C26 | H12 | 109.4° | 109.4° |
H13 | C27 | H14 | 109.5° | 109.5° |
H15 | C28 | H16 | 109.5° | 109.4° |
H15 | C28 | H17 | 109.4° | 109.4° |
H16 | C28 | H17 | 109.5° | 109.5° |
H18 | C23 | H19 | 109.5° | 109.4° |
H20 | C24 | H21 | 109.5° | 109.4° |
H22 | C25 | H23 | 109.5° | 109.4° |
H22 | C25 | H24 | 109.5° | 109.5° |
H23 | C25 | H24 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C28 | C27 | C26 | H13 | 119.3° | 120.0° |
C28 | C27 | C26 | H14 | 119.3° | 120.0° |
C28 | C27 | C26 | N6 | 179.2° | 174.9° |
C28 | C27 | C26 | H11 | 59.9° | 65.1° |
C28 | C27 | C26 | H12 | 58.3° | 54.8° |
C28 | C27 | H13 | H14 | 121.9° | 120.1° |
C27 | C28 | H15 | H16 | 120.0° | 120.0° |
C27 | C28 | H15 | H17 | 120.0° | 120.0° |
C27 | C28 | H16 | H17 | 120.0° | 120.1° |
C27 | C26 | N6 | C23 | 85.2° | 159.9° |
C27 | C26 | N6 | H11 | 120.9° | 120.0° |
C27 | C26 | N6 | H12 | 120.9° | 120.0° |
C27 | C26 | N6 | C6 | 97.3° | 76.1° |
C27 | C26 | H11 | H12 | 117.2° | 120.0° |
C26 | C27 | H13 | H14 | 121.9° | 120.0° |
C26 | C27 | C28 | H15 | 180.0° | 180.0° |
C26 | C27 | C28 | H16 | 60.0° | 60.1° |
C26 | C27 | C28 | H17 | 60.0° | 60.0° |
C24 | C23 | N6 | H18 | 119.7° | 120.0° |
C24 | C23 | N6 | H19 | 119.7° | 120.0° |
C23 | C24 | C25 | H20 | 120.7° | 120.0° |
C23 | C24 | C25 | H21 | 120.8° | 120.1° |
C24 | C23 | N6 | C26 | 82.9° | 72.3° |
C24 | C23 | N6 | C6 | 94.7° | 163.7° |
C24 | C23 | H18 | H19 | 120.8° | 120.0° |
C23 | C24 | H20 | H21 | 117.8° | 120.0° |
C23 | C24 | C25 | H22 | 180.0° | 180.0° |
C23 | C24 | C25 | H23 | 60.0° | 60.0° |
C23 | C24 | C25 | H24 | 60.0° | 59.9° |
N6 | C23 | C24 | C25 | 113.9° | 178.9° |
C23 | N6 | C26 | C6 | 177.5° | 124.0° |
C23 | N6 | C6 | N1 | 20.6° | 124.0° |
C23 | N6 | C6 | C5 | 159.7° | 56.1° |
C23 | N6 | C26 | H11 | 35.7° | 80.1° |
C23 | N6 | C26 | H12 | 153.9° | 39.9° |
N6 | C23 | H18 | H19 | 120.8° | 120.0° |
N6 | C23 | C24 | H20 | 125.4° | 61.1° |
N6 | C23 | C24 | H21 | 6.9° | 58.9° |
C25 | C24 | C23 | H18 | 126.4° | 58.9° |
C25 | C24 | C23 | H19 | 5.8° | 61.1° |
C25 | C24 | H20 | H21 | 117.7° | 120.0° |
C24 | C25 | H22 | H23 | 120.0° | 120.0° |
C24 | C25 | H22 | H24 | 120.0° | 120.1° |
C24 | C25 | H23 | H24 | 120.0° | 120.0° |
C26 | N6 | C6 | N1 | 156.8° | 0.0° |
C26 | N6 | C6 | C5 | 22.9° | 179.9° |
N6 | C26 | H11 | H12 | 117.2° | 120.0° |
N6 | C26 | C27 | H13 | 59.8° | 54.9° |
N6 | C26 | C27 | H14 | 61.5° | 65.1° |
C26 | N6 | C23 | H18 | 36.8° | 47.8° |
C26 | N6 | C23 | H19 | 157.4° | 167.7° |
N6 | C6 | N1 | C5 | 179.7° | 179.9° |
N6 | C6 | N1 | C2 | 179.6° | 180.0° |
N6 | C6 | C5 | N7 | 0.4° | 0.2° |
N6 | C6 | C5 | C4 | 179.5° | 180.0° |
C6 | N6 | C26 | H11 | 141.8° | 43.9° |
C6 | N6 | C26 | H12 | 23.6° | 163.8° |
C6 | N6 | C23 | H18 | 145.6° | 76.2° |
C6 | N6 | C23 | H19 | 25.1° | 43.7° |
N1 | C6 | C5 | N7 | 179.9° | 179.9° |
N1 | C6 | C5 | C4 | 0.2° | 0.1° |
C6 | N1 | C2 | N3 | 0.0° | 0.0° |
C6 | N1 | C2 | H9 | 180.0° | 180.0° |
C5 | C6 | N1 | C2 | 0.1° | 0.1° |
C6 | C5 | N7 | C4 | 179.9° | 179.9° |
C6 | C5 | N7 | C8 | 179.8° | 180.0° |
C6 | C5 | C4 | N3 | 0.2° | 0.0° |
C6 | C5 | C4 | N9 | 179.8° | 179.9° |
N1 | C2 | N3 | H9 | 180.0° | 179.9° |
N1 | C2 | N3 | C4 | 0.0° | 0.0° |
C5 | N7 | C8 | N9 | 0.2° | 0.1° |
N7 | C5 | C4 | N3 | 179.9° | 179.9° |
N7 | C5 | C4 | N9 | 0.1° | 0.0° |
C5 | N7 | C8 | H10 | 179.8° | 180.0° |
C8 | N7 | C5 | C4 | 0.1° | 0.1° |
N7 | C8 | N9 | H10 | 180.0° | 179.9° |
N7 | C8 | N9 | C4 | 0.1° | 0.1° |
N7 | C8 | N9 | C1' | 179.8° | 180.0° |
C5 | C4 | N3 | C2 | 0.1° | 0.0° |
C5 | C4 | N9 | C8 | 0.0° | 0.0° |
C5 | C4 | N3 | N9 | 179.9° | 179.9° |
C5 | C4 | N9 | C1' | 179.6° | 180.0° |
C2 | N3 | C4 | N9 | 180.0° | 179.9° |
C8 | N9 | C4 | N3 | 180.0° | 180.0° |
C8 | N9 | C4 | C1' | 179.6° | 180.0° |
C8 | N9 | C1' | C2' | 131.1° | 95.0° |
C8 | N9 | C1' | O4' | 105.4° | 22.8° |
C8 | N9 | C1' | H8 | 15.5° | 143.8° |
N3 | C4 | N9 | C1' | 0.4° | 0.1° |
C4 | N3 | C2 | H9 | 179.9° | 180.0° |
C4 | N9 | C1' | C2' | 49.4° | 85.0° |
C4 | N9 | C1' | O4' | 74.2° | 157.3° |
C4 | N9 | C1' | H8 | 164.9° | 36.3° |
C4 | N9 | C8 | H10 | 179.9° | 180.0° |
N9 | C1' | C2' | O2' | 127.0° | 123.4° |
N9 | C1' | C2' | O4' | 127.9° | 119.4° |
N9 | C1' | C2' | H8 | 116.1° | 121.3° |
N9 | C1' | C2' | C3' | 106.5° | 118.2° |
N9 | C1' | O4' | H8 | 120.8° | 121.1° |
N9 | C1' | O4' | C4' | 126.8° | 146.7° |
N9 | C1' | C2' | H6 | 7.9° | 0.5° |
C1' | N9 | C8 | H10 | 0.2° | 0.0° |
O2' | C2' | C1' | C3' | 126.5° | 118.4° |
O2' | C2' | C1' | H6 | 119.1° | 122.9° |
O2' | C2' | C3' | H6 | 125.8° | 123.0° |
O2' | C2' | C1' | O4' | 105.1° | 117.2° |
O2' | C2' | C3' | O3' | 44.9° | 21.3° |
O2' | C2' | C3' | C4' | 84.4° | 92.3° |
O2' | C2' | C3' | H5 | 166.9° | 149.0° |
O2' | C2' | C1' | H8 | 10.9° | 2.1° |
C1' | C2' | C3' | H6 | 114.3° | 118.6° |
C2' | C1' | O4' | H8 | 115.5° | 119.4° |
C1' | C2' | C3' | O3' | 164.8° | 139.7° |
C1' | C2' | C3' | C4' | 35.5° | 26.2° |
C2' | C1' | O4' | C4' | 3.1° | 27.3° |
C1' | C2' | C3' | H5 | 73.2° | 92.5° |
C1' | C2' | O2' | H7 | 180.0° | 61.4° |
C3' | C2' | C1' | O4' | 21.4° | 1.1° |
C2' | C3' | O3' | C4' | 122.7° | 110.4° |
C2' | C3' | O3' | H5 | 121.5° | 128.2° |
C2' | C3' | C4' | H5 | 108.8° | 119.0° |
C2' | C3' | C4' | O4' | 39.9° | 43.5° |
C2' | C3' | O3' | P | 178.2° | 167.9° |
C2' | C3' | C4' | C5' | 166.5° | 167.5° |
C2' | C3' | C4' | H4 | 76.8° | 72.6° |
C3' | C2' | O2' | H7 | 63.1° | 175.3° |
C3' | C2' | C1' | H8 | 137.4° | 120.5° |
C1' | O4' | C4' | C3' | 27.2° | 44.1° |
C1' | O4' | C4' | C5' | 149.8° | 163.0° |
C1' | O4' | C4' | H4 | 89.0° | 72.0° |
O4' | C1' | C2' | H6 | 135.8° | 119.8° |
O3' | C3' | C4' | H5 | 116.4° | 121.2° |
O3' | C3' | C4' | O4' | 174.7° | 163.3° |
O3' | C3' | C4' | C5' | 58.7° | 72.7° |
C3' | O3' | P | O2P | 73.2° | 81.3° |
C3' | O3' | P | O5' | 45.9° | 38.1° |
C3' | O3' | P | O1P | 162.3° | 157.4° |
O3' | C3' | C4' | H4 | 58.0° | 47.2° |
O3' | C3' | C2' | H6 | 80.9° | 101.7° |
C3' | C4' | O4' | C5' | 122.6° | 118.8° |
C3' | C4' | O4' | H4 | 116.2° | 116.1° |
C4' | C3' | O3' | P | 55.5° | 57.5° |
C3' | C4' | C5' | H4 | 116.6° | 119.9° |
C3' | C4' | C5' | O5' | 56.6° | 67.1° |
C3' | C4' | C5' | H2 | 62.3° | 173.5° |
C3' | C4' | C5' | H3 | 175.6° | 52.1° |
C4' | C3' | C2' | H6 | 149.9° | 144.7° |
O4' | C4' | C5' | H4 | 121.7° | 125.0° |
O4' | C4' | C5' | O5' | 178.3° | 177.7° |
O4' | C4' | C5' | H2 | 59.4° | 58.4° |
O4' | C4' | C5' | H3 | 62.7° | 63.0° |
O4' | C4' | C3' | H5 | 68.9° | 75.5° |
C4' | O4' | C1' | H8 | 112.4° | 92.1° |
O3' | P | O2P | O5' | 109.6° | 117.4° |
O3' | P | O2P | O1P | 129.8° | 121.3° |
O3' | P | O5' | O1P | 121.8° | 119.3° |
O3' | P | O5' | C5' | 57.7° | 34.1° |
O3' | P | O1P | H1 | 127.9° | 177.4° |
P | O3' | C3' | H5 | 60.3° | 63.9° |
C4' | C5' | O5' | P | 66.2° | 49.7° |
C4' | C5' | O5' | H2 | 119.0° | 119.3° |
C4' | C5' | O5' | H3 | 119.0° | 119.3° |
C4' | C5' | H2 | H3 | 123.0° | 121.5° |
C5' | C4' | C3' | H5 | 57.7° | 48.5° |
O2P | P | O5' | O1P | 118.8° | 121.3° |
O2P | P | O5' | C5' | 61.6° | 85.3° |
O2P | P | O1P | H1 | 0.0° | 61.3° |
O5' | P | O1P | H1 | 122.7° | 60.0° |
P | O5' | C5' | H2 | 52.7° | 169.0° |
P | O5' | C5' | H3 | 174.8° | 69.6° |
O1P | P | O5' | C5' | 179.6° | 153.4° |
O5' | C5' | H2 | H3 | 123.0° | 121.3° |
O5' | C5' | C4' | H4 | 60.0° | 52.7° |
H2 | C5' | C4' | H4 | 178.9° | 66.6° |
H3 | C5' | C4' | H4 | 59.0° | 172.0° |
H4 | C4' | C3' | H5 | 174.4° | 168.4° |
H5 | C3' | C2' | H6 | 41.1° | 26.0° |
H6 | C2' | O2' | H7 | 61.9° | 61.6° |
H6 | C2' | C1' | H8 | 108.2° | 120.8° |
H11 | C26 | C27 | H13 | 179.2° | 174.9° |
H11 | C26 | C27 | H14 | 59.4° | 54.8° |
H12 | C26 | C27 | H13 | 61.0° | 65.2° |
H12 | C26 | C27 | H14 | 177.6° | 174.8° |
H13 | C27 | C28 | H15 | 60.7° | 60.0° |
H13 | C27 | C28 | H16 | 59.4° | 180.0° |
H13 | C27 | C28 | H17 | 179.4° | 59.9° |
H14 | C27 | C28 | H15 | 60.7° | 60.0° |
H14 | C27 | C28 | H16 | 179.3° | 59.9° |
H14 | C27 | C28 | H17 | 59.3° | 180.0° |
H15 | C28 | H16 | H17 | 120.0° | 119.9° |
H18 | C23 | C24 | H20 | 5.7° | 178.9° |
H18 | C23 | C24 | H21 | 112.9° | 61.2° |
H19 | C23 | C24 | H20 | 114.9° | 58.9° |
H19 | C23 | C24 | H21 | 126.6° | 178.9° |
H20 | C24 | C25 | H22 | 59.3° | 60.0° |
H20 | C24 | C25 | H23 | 179.3° | 180.0° |
H20 | C24 | C25 | H24 | 60.7° | 60.1° |
H21 | C24 | C25 | H22 | 59.3° | 59.9° |
H21 | C24 | C25 | H23 | 60.8° | 60.1° |
H21 | C24 | C25 | H24 | 179.3° | 180.0° |
H22 | C25 | H23 | H24 | 120.0° | 120.0° |