DPB
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C11 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
C11 | C10 | sing | 1.38Å | 1.53Å | Aromatic |
C11 | H11 | sing | 1.08Å | 1.10Å | |
C12 | C7 | sing | 1.38Å | 1.47Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.10Å | |
C7 | C8 | doub | 1.38Å | 1.46Å | Aromatic |
C7 | C6' | sing | 1.51Å | 1.56Å | |
C8 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
C8 | H8 | sing | 1.08Å | 1.10Å | |
C9 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
C9 | H9 | sing | 1.08Å | 1.10Å | |
C10 | H10 | sing | 1.08Å | 1.10Å | |
C2 | N1 | sing | 1.34Å | 1.39Å | |
C2 | N3 | sing | 1.35Å | 1.36Å | |
C2 | O2 | doub | 1.22Å | 1.24Å | |
N1 | C6 | sing | 1.37Å | 1.43Å | |
N1 | C1' | sing | 1.47Å | 1.46Å | |
C6 | C5 | doub | 1.35Å | 1.41Å | |
C6 | H6 | sing | 1.08Å | 1.10Å | |
C5 | C4 | sing | 1.41Å | 1.46Å | |
C5 | C5M | sing | 1.51Å | 1.65Å | |
C4 | N3 | sing | 1.35Å | 1.31Å | |
C4 | O4 | doub | 1.22Å | 1.27Å | |
N3 | H3 | sing | 0.97Å | 1.02Å | |
C5M | H71 | sing | 1.09Å | 1.11Å | |
C5M | H72 | sing | 1.09Å | 1.11Å | |
C5M | H73 | sing | 1.09Å | 1.12Å | |
C1' | O4' | sing | 1.43Å | 1.48Å | |
C1' | C2' | sing | 1.54Å | 1.42Å | |
C1' | H1' | sing | 1.09Å | 1.11Å | |
O4' | C4' | sing | 1.44Å | 1.48Å | |
C4' | C3' | sing | 1.53Å | 1.19Å | |
C4' | C5' | sing | 1.53Å | 1.42Å | |
C4' | H4' | sing | 1.10Å | 1.11Å | |
C3' | C2' | sing | 1.54Å | 1.42Å | |
C3' | O3' | sing | 1.39Å | 1.48Å | |
C3' | H3' | sing | 1.11Å | 1.11Å | |
C2' | H2' | sing | 1.09Å | 1.11Å | |
C2' | H2'' | sing | 1.10Å | 1.12Å | |
C5' | O5' | sing | 1.42Å | 1.35Å | |
C5' | H5' | sing | 1.08Å | 1.12Å | |
C5' | H5'' | sing | 1.10Å | 1.11Å | |
O5' | C6' | sing | 1.42Å | 1.44Å | |
C6' | O3' | sing | 1.40Å | 1.61Å | |
C6' | P | sing | 1.84Å | 1.96Å | |
P | OP2 | sing | 1.61Å | 1.59Å | |
P | OP1 | doub | 1.48Å | 1.47Å | |
P | OP3 | sing | 1.61Å | 1.53Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C11 | C10 | 125.0° | 120.0° |
C12 | C11 | H11 | 110.9° | 119.9° |
C11 | C12 | C7 | 116.9° | 120.0° |
C11 | C12 | H12 | 117.9° | 120.0° |
C10 | C11 | H11 | 124.1° | 120.1° |
C11 | C10 | C9 | 114.0° | 120.0° |
C11 | C10 | H10 | 125.6° | 120.0° |
C7 | C12 | H12 | 125.3° | 120.0° |
C12 | C7 | C8 | 122.6° | 120.0° |
C12 | C7 | C6' | 119.7° | 120.0° |
C8 | C7 | C6' | 117.8° | 119.9° |
C7 | C8 | C9 | 117.6° | 120.0° |
C7 | C8 | H8 | 122.5° | 120.0° |
C7 | C6' | O5' | 100.4° | 110.0° |
C7 | C6' | O3' | 135.5° | 110.7° |
C7 | C6' | P | 106.4° | 107.0° |
C9 | C8 | H8 | 119.9° | 120.0° |
C8 | C9 | C10 | 124.0° | 120.0° |
C8 | C9 | H9 | 117.0° | 120.0° |
C10 | C9 | H9 | 119.1° | 120.0° |
C9 | C10 | H10 | 120.4° | 120.0° |
N1 | C2 | N3 | 118.8° | 121.0° |
N1 | C2 | O2 | 125.0° | 119.5° |
C2 | N1 | C6 | 125.2° | 120.6° |
C2 | N1 | C1' | 115.9° | 119.8° |
N3 | C2 | O2 | 116.3° | 119.6° |
C2 | N3 | C4 | 121.1° | 120.2° |
C2 | N3 | H3 | 121.5° | 119.9° |
C6 | N1 | C1' | 118.9° | 119.6° |
N1 | C6 | C5 | 112.9° | 119.6° |
N1 | C6 | H6 | 124.2° | 120.2° |
N1 | C1' | O4' | 124.9° | 110.6° |
N1 | C1' | C2' | 117.6° | 110.1° |
N1 | C1' | H1' | 87.5° | 109.0° |
C5 | C6 | H6 | 122.9° | 120.2° |
C6 | C5 | C4 | 120.4° | 119.1° |
C6 | C5 | C5M | 116.3° | 120.4° |
C4 | C5 | C5M | 123.3° | 120.4° |
C5 | C4 | N3 | 121.7° | 119.4° |
C5 | C4 | O4 | 117.9° | 120.3° |
C5 | C5M | H71 | 109.7° | 109.5° |
C5 | C5M | H72 | 116.3° | 109.5° |
C5 | C5M | H73 | 109.7° | 109.5° |
N3 | C4 | O4 | 120.4° | 120.3° |
C4 | N3 | H3 | 117.4° | 119.9° |
H71 | C5M | H72 | 109.7° | 109.5° |
H71 | C5M | H73 | 100.5° | 109.5° |
H72 | C5M | H73 | 109.8° | 109.4° |
O4' | C1' | C2' | 98.1° | 108.1° |
O4' | C1' | H1' | 110.9° | 109.7° |
C1' | O4' | C4' | 99.4° | 109.8° |
C2' | C1' | H1' | 119.4° | 109.4° |
C1' | C2' | C3' | 121.6° | 104.5° |
C1' | C2' | H2' | 107.9° | 111.0° |
C1' | C2' | H2'' | 107.9° | 110.0° |
O4' | C4' | C3' | 126.5° | 105.9° |
O4' | C4' | C5' | 82.3° | 108.0° |
O4' | C4' | H4' | 127.5° | 111.0° |
C3' | C4' | C5' | 130.3° | 110.3° |
C3' | C4' | H4' | 74.2° | 111.1° |
C4' | C3' | C2' | 94.2° | 104.9° |
C4' | C3' | O3' | 108.6° | 115.8° |
C4' | C3' | H3' | 119.0° | 107.3° |
C5' | C4' | H4' | 123.4° | 110.3° |
C4' | C5' | O5' | 101.8° | 109.9° |
C4' | C5' | H5' | 115.2° | 110.5° |
C4' | C5' | H5'' | 115.1° | 108.0° |
C2' | C3' | O3' | 108.9° | 114.0° |
C2' | C3' | H3' | 118.8° | 107.0° |
C3' | C2' | H2' | 107.9° | 111.9° |
C3' | C2' | H2'' | 107.9° | 110.0° |
O3' | C3' | H3' | 106.6° | 107.4° |
C3' | O3' | C6' | 127.9° | 119.2° |
H2' | C2' | H2'' | 102.0° | 109.3° |
O5' | C5' | H5' | 115.1° | 112.5° |
O5' | C5' | H5'' | 115.2° | 108.4° |
C5' | O5' | C6' | 116.4° | 110.9° |
H5' | C5' | H5'' | 95.3° | 107.4° |
O5' | C6' | O3' | 87.9° | 113.7° |
O5' | C6' | P | 111.3° | 107.4° |
O3' | C6' | P | 111.0° | 107.9° |
C6' | P | OP2 | 93.4° | 109.4° |
C6' | P | OP1 | 112.0° | 109.5° |
C6' | P | OP3 | 112.1° | 109.5° |
OP2 | P | OP1 | 108.2° | 109.4° |
OP2 | P | OP3 | 109.5° | 109.5° |
P | OP2 | HOP2 | 93.4° | 106.8° |
OP1 | P | OP3 | 118.6° | 109.5° |
P | OP3 | HOP3 | 112.1° | 106.8° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C11 | C10 | H11 | 180.0° | 179.9° |
C11 | C12 | C7 | H12 | 180.0° | 179.6° |
C11 | C12 | C7 | C8 | 0.5° | 0.5° |
C11 | C12 | C7 | C6' | 179.1° | 179.8° |
C12 | C11 | C10 | C9 | 0.2° | 0.1° |
C12 | C11 | C10 | H10 | 179.8° | 179.8° |
C10 | C11 | C12 | C7 | 0.1° | 0.4° |
C10 | C11 | C12 | H12 | 179.9° | 180.0° |
C11 | C10 | C9 | C8 | 0.2° | 0.0° |
C11 | C10 | C9 | H10 | 180.0° | 180.0° |
C11 | C10 | C9 | H9 | 179.8° | 180.0° |
H11 | C11 | C12 | C7 | 179.9° | 179.7° |
H11 | C11 | C12 | H12 | 0.1° | 0.1° |
H11 | C11 | C10 | C9 | 179.8° | 180.0° |
H11 | C11 | C10 | H10 | 0.2° | 0.1° |
C12 | C7 | C8 | C6' | 179.7° | 179.7° |
C12 | C7 | C8 | C9 | 0.5° | 0.3° |
C12 | C7 | C8 | H8 | 179.5° | 179.7° |
C12 | C7 | C6' | O5' | 34.8° | 3.0° |
C12 | C7 | C6' | O3' | 132.4° | 129.5° |
C12 | C7 | C6' | P | 81.2° | 113.2° |
H12 | C12 | C7 | C8 | 179.5° | 180.0° |
H12 | C12 | C7 | C6' | 0.9° | 0.2° |
C7 | C8 | C9 | H8 | 180.0° | 180.0° |
C7 | C8 | C9 | C10 | 0.2° | 0.0° |
C7 | C8 | C9 | H9 | 179.8° | 180.0° |
C8 | C7 | C6' | O5' | 145.5° | 177.3° |
C8 | C7 | C6' | O3' | 47.9° | 50.8° |
C8 | C7 | C6' | P | 98.4° | 66.5° |
C6' | C7 | C8 | C9 | 179.1° | 180.0° |
C6' | C7 | C8 | H8 | 0.9° | 0.0° |
C7 | C6' | O3' | C3' | 132.7° | 81.9° |
C7 | C6' | O5' | C5' | 152.4° | 66.6° |
C7 | C6' | O5' | O3' | 135.9° | 124.8° |
C7 | C6' | O5' | P | 112.3° | 116.0° |
C7 | C6' | O3' | P | 145.3° | 116.7° |
C7 | C6' | P | OP2 | 68.6° | 175.9° |
C7 | C6' | P | OP1 | 42.6° | 64.1° |
C7 | C6' | P | OP3 | 178.7° | 55.9° |
C8 | C9 | C10 | H9 | 180.0° | 180.0° |
C8 | C9 | C10 | H10 | 179.8° | 180.0° |
H8 | C8 | C9 | C10 | 179.9° | 180.0° |
H8 | C8 | C9 | H9 | 0.1° | 0.0° |
H9 | C9 | C10 | H10 | 0.2° | 0.0° |
N1 | C2 | N3 | O2 | 179.9° | 180.0° |
C2 | N1 | C6 | C1' | 179.0° | 180.0° |
C2 | N1 | C6 | C5 | 0.0° | 0.1° |
C2 | N1 | C6 | H6 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.4° | 0.2° |
N1 | C2 | N3 | H3 | 179.6° | 180.0° |
C2 | N1 | C1' | O4' | 157.9° | 178.6° |
C2 | N1 | C1' | C2' | 78.2° | 59.2° |
C2 | N1 | C1' | H1' | 43.9° | 60.7° |
N3 | C2 | N1 | C6 | 0.2° | 0.0° |
N3 | C2 | N1 | C1' | 179.2° | 180.0° |
C2 | N3 | C4 | C5 | 0.4° | 0.4° |
C2 | N3 | C4 | H3 | 180.0° | 179.8° |
C2 | N3 | C4 | O4 | 179.4° | 180.0° |
O2 | C2 | N1 | C6 | 179.7° | 179.9° |
O2 | C2 | N1 | C1' | 0.7° | 0.0° |
O2 | C2 | N3 | C4 | 179.5° | 179.7° |
O2 | C2 | N3 | H3 | 0.5° | 0.0° |
N1 | C6 | C5 | H6 | 180.0° | 179.9° |
N1 | C6 | C5 | C4 | 0.0° | 0.3° |
N1 | C6 | C5 | C5M | 179.5° | 180.0° |
C6 | N1 | C1' | O4' | 21.2° | 1.4° |
C6 | N1 | C1' | C2' | 102.7° | 120.7° |
C6 | N1 | C1' | H1' | 135.2° | 119.3° |
C1' | N1 | C6 | C5 | 179.0° | 180.0° |
C1' | N1 | C6 | H6 | 1.0° | 0.1° |
N1 | C1' | O4' | C2' | 132.0° | 120.5° |
N1 | C1' | O4' | H1' | 102.1° | 120.3° |
N1 | C1' | C2' | H1' | 103.8° | 119.7° |
N1 | C1' | O4' | C4' | 134.1° | 103.9° |
N1 | C1' | C2' | C3' | 140.7° | 120.6° |
N1 | C1' | C2' | H2' | 94.0° | 0.2° |
N1 | C1' | C2' | H2'' | 15.5° | 121.3° |
C6 | C5 | C4 | C5M | 179.5° | 179.8° |
C6 | C5 | C4 | N3 | 0.2° | 0.5° |
C6 | C5 | C4 | O4 | 179.6° | 180.0° |
C6 | C5 | C5M | H71 | 54.7° | 90.0° |
C6 | C5 | C5M | H72 | 180.0° | 150.0° |
C6 | C5 | C5M | H73 | 54.7° | 30.0° |
H6 | C6 | C5 | C4 | 180.0° | 179.8° |
H6 | C6 | C5 | C5M | 0.5° | 0.1° |
C5 | C4 | N3 | O4 | 179.8° | 179.5° |
C5 | C4 | N3 | H3 | 179.6° | 179.8° |
C4 | C5 | C5M | H71 | 124.8° | 90.2° |
C4 | C5 | C5M | H72 | 0.4° | 29.8° |
C4 | C5 | C5M | H73 | 125.7° | 149.7° |
C5M | C5 | C4 | N3 | 179.7° | 179.8° |
C5M | C5 | C4 | O4 | 0.1° | 0.2° |
C5 | C5M | H71 | H72 | 128.9° | 120.0° |
C5 | C5M | H71 | H73 | 115.5° | 120.0° |
C5 | C5M | H72 | H73 | 125.3° | 120.0° |
O4 | C4 | N3 | H3 | 0.6° | 0.3° |
H71 | C5M | H72 | H73 | 109.5° | 120.0° |
O4' | C1' | C2' | H1' | 119.6° | 119.4° |
C1' | O4' | C4' | C3' | 0.2° | 26.1° |
C1' | O4' | C4' | C5' | 135.2° | 92.1° |
C1' | O4' | C4' | H4' | 98.2° | 146.9° |
O4' | C1' | C2' | C3' | 4.2° | 0.2° |
O4' | C1' | C2' | H2' | 129.5° | 121.1° |
O4' | C1' | C2' | H2'' | 121.1° | 117.8° |
C2' | C1' | O4' | C4' | 2.1° | 16.6° |
C1' | C2' | C3' | C4' | 4.1° | 14.8° |
C1' | C2' | C3' | H2' | 125.3° | 120.2° |
C1' | C2' | C3' | H2'' | 125.3° | 118.0° |
C1' | C2' | C3' | O3' | 115.4° | 142.5° |
C1' | C2' | C3' | H3' | 122.4° | 98.9° |
C1' | C2' | H2' | H2'' | 113.5° | 121.5° |
H1' | C1' | O4' | C4' | 123.7° | 135.8° |
H1' | C1' | C2' | C3' | 115.4° | 119.7° |
H1' | C1' | C2' | H2' | 9.9° | 119.5° |
H1' | C1' | C2' | H2'' | 119.3° | 1.6° |
O4' | C4' | C3' | C5' | 114.1° | 116.7° |
O4' | C4' | C3' | H4' | 125.2° | 120.7° |
O4' | C4' | C5' | H4' | 130.3° | 121.5° |
O4' | C4' | C3' | C2' | 2.3° | 24.9° |
O4' | C4' | C3' | O3' | 113.9° | 151.5° |
O4' | C4' | C3' | H3' | 124.0° | 88.6° |
O4' | C4' | C5' | O5' | 99.8° | 165.6° |
O4' | C4' | C5' | H5' | 25.5° | 40.8° |
O4' | C4' | C5' | H5'' | 134.9° | 76.4° |
C3' | C4' | C5' | H4' | 97.5° | 123.1° |
C4' | C3' | C2' | O3' | 111.3° | 127.7° |
C4' | C3' | C2' | H3' | 126.5° | 113.7° |
C4' | C3' | O3' | H3' | 129.4° | 119.8° |
C4' | C3' | C2' | H2' | 129.4° | 105.4° |
C4' | C3' | C2' | H2'' | 121.1° | 132.8° |
C3' | C4' | C5' | O5' | 32.5° | 50.2° |
C3' | C4' | C5' | H5' | 157.7° | 74.6° |
C3' | C4' | C5' | H5'' | 92.8° | 168.3° |
C4' | C3' | O3' | C6' | 0.7° | 31.7° |
C5' | C4' | C3' | C2' | 111.8° | 91.8° |
C5' | C4' | C3' | O3' | 0.3° | 34.8° |
C5' | C4' | C3' | H3' | 121.8° | 154.7° |
C4' | C5' | O5' | H5' | 125.3° | 123.6° |
C4' | C5' | O5' | H5'' | 125.3° | 117.8° |
C4' | C5' | H5' | H5'' | 121.0° | 117.5° |
C4' | C5' | O5' | C6' | 79.5° | 62.6° |
H4' | C4' | C3' | C2' | 127.6° | 145.5° |
H4' | C4' | C3' | O3' | 120.9° | 87.9° |
H4' | C4' | C3' | H3' | 1.2° | 32.0° |
H4' | C4' | C5' | O5' | 129.9° | 72.9° |
H4' | C4' | C5' | H5' | 104.8° | 162.3° |
H4' | C4' | C5' | H5'' | 4.6° | 45.1° |
C2' | C3' | O3' | H3' | 129.3° | 118.3° |
C3' | C2' | H2' | H2'' | 113.4° | 122.1° |
C2' | C3' | O3' | C6' | 102.1° | 90.1° |
O3' | C3' | C2' | H2' | 119.3° | 22.3° |
O3' | C3' | C2' | H2'' | 9.9° | 99.5° |
C3' | O3' | C6' | O5' | 30.1° | 42.5° |
C3' | O3' | C6' | P | 82.0° | 161.4° |
H3' | C3' | C2' | H2' | 2.9° | 140.9° |
H3' | C3' | C2' | H2'' | 112.3° | 19.1° |
H3' | C3' | O3' | C6' | 128.7° | 151.6° |
O5' | C5' | H5' | H5'' | 121.0° | 119.2° |
C5' | O5' | C6' | O3' | 71.7° | 58.2° |
C5' | O5' | C6' | P | 40.1° | 177.4° |
H5' | C5' | O5' | C6' | 155.2° | 61.0° |
H5'' | C5' | O5' | C6' | 45.8° | 179.6° |
O5' | C6' | O3' | P | 112.1° | 118.9° |
O5' | C6' | P | OP2 | 177.0° | 58.0° |
O5' | C6' | P | OP1 | 65.8° | 177.9° |
O5' | C6' | P | OP3 | 70.3° | 62.1° |
O3' | C6' | P | OP2 | 86.8° | 64.9° |
O3' | C6' | P | OP1 | 162.0° | 55.0° |
O3' | C6' | P | OP3 | 25.9° | 175.0° |
C6' | P | OP2 | OP1 | 114.5° | 119.9° |
C6' | P | OP2 | OP3 | 114.9° | 120.1° |
C6' | P | OP1 | OP3 | 133.0° | 120.0° |
C6' | P | OP2 | HOP2 | 180.0° | 60.1° |
C6' | P | OP3 | HOP3 | 180.0° | 180.0° |
OP2 | P | OP1 | OP3 | 125.4° | 120.0° |
OP2 | P | OP3 | HOP3 | 77.7° | 60.0° |
OP1 | P | OP2 | HOP2 | 65.5° | 180.0° |
OP1 | P | OP3 | HOP3 | 47.1° | 60.0° |
OP3 | P | OP2 | HOP2 | 65.1° | 60.0° |