RZ7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | S | sing | 1.76Å | 1.69Å | |
N3S | S | sing | 1.66Å | 1.59Å | |
O1S | S | doub | 1.42Å | 1.43Å | |
S | O2S | doub | 1.42Å | 1.47Å | |
C1' | N' | sing | 1.46Å | 1.47Å | |
N' | C7 | sing | 1.35Å | 1.32Å | |
N' | HN' | sing | 0.97Å | 1.00Å | |
O' | C7 | doub | 1.22Å | 1.26Å | |
C7 | C1 | sing | 1.48Å | 1.48Å | |
C1 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
C1 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
C3 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
C2 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
C2 | H2 | sing | 1.08Å | 1.08Å | |
C3 | H3 | sing | 1.08Å | 1.08Å | |
C6 | C4 | doub | 1.38Å | 1.41Å | Aromatic |
C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
C5 | H5 | sing | 1.08Å | 1.08Å | |
C6 | H6 | sing | 1.08Å | 1.08Å | |
C2' | F2'1 | sing | 1.40Å | 1.33Å | |
F3'1 | C3' | sing | 1.40Å | 1.36Å | |
C4' | F4'1 | sing | 1.40Å | 1.40Å | |
F5'1 | C5' | sing | 1.40Å | 1.35Å | |
C6' | F6'1 | sing | 1.40Å | 1.37Å | |
C2' | F2'2 | sing | 1.40Å | 1.30Å | |
F3'2 | C3' | sing | 1.40Å | 1.36Å | |
C4' | F4'2 | sing | 1.40Å | 1.34Å | |
C5' | F5'2 | sing | 1.40Å | 1.38Å | |
C6' | F6'2 | sing | 1.40Å | 1.34Å | |
F6'3 | C6' | sing | 1.40Å | 1.32Å | |
C1' | C2' | sing | 1.53Å | 1.52Å | |
C1' | H1' | sing | 1.09Å | 1.10Å | |
C1' | H1'A | sing | 1.09Å | 1.10Å | |
C3' | C2' | sing | 1.53Å | 1.52Å | |
C3' | C4' | sing | 1.53Å | 1.58Å | |
N3S | HN3S | sing | 0.97Å | 1.00Å | |
N3S | HN3A | sing | 0.97Å | 1.00Å | |
C5' | C4' | sing | 1.53Å | 1.48Å | |
C5' | C6' | sing | 1.53Å | 1.56Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | S | N3S | 106.8° | 107.2° |
C4 | S | O1S | 108.9° | 106.4° |
C4 | S | O2S | 106.8° | 106.4° |
S | C4 | C2 | 123.6° | 119.9° |
S | C4 | C6 | 120.2° | 119.8° |
N3S | S | O1S | 110.9° | 106.4° |
N3S | S | O2S | 106.8° | 106.4° |
S | N3S | HN3S | 109.5° | 120.0° |
S | N3S | HN3A | 109.5° | 120.0° |
O1S | S | O2S | 116.2° | 123.1° |
C1' | N' | C7 | 119.6° | 120.0° |
C1' | N' | HN' | 120.2° | 120.0° |
N' | C1' | C2' | 108.5° | 109.5° |
N' | C1' | H1' | 109.8° | 109.4° |
N' | C1' | H1'A | 109.8° | 109.5° |
C7 | N' | HN' | 120.2° | 120.0° |
N' | C7 | O' | 121.2° | 120.0° |
N' | C7 | C1 | 118.0° | 120.1° |
O' | C7 | C1 | 120.8° | 120.0° |
C7 | C1 | C5 | 121.0° | 120.2° |
C7 | C1 | C3 | 119.0° | 120.1° |
C5 | C1 | C3 | 119.9° | 119.7° |
C1 | C5 | C6 | 118.4° | 119.9° |
C1 | C5 | H5 | 120.8° | 120.1° |
C1 | C3 | C2 | 120.5° | 119.9° |
C1 | C3 | H3 | 119.8° | 120.1° |
C3 | C2 | C4 | 121.0° | 120.1° |
C3 | C2 | H2 | 119.5° | 120.0° |
C2 | C3 | H3 | 119.8° | 120.0° |
C4 | C2 | H2 | 119.5° | 119.9° |
C2 | C4 | C6 | 116.2° | 120.3° |
C4 | C6 | C5 | 123.8° | 120.1° |
C4 | C6 | H6 | 118.1° | 120.0° |
C6 | C5 | H5 | 120.8° | 120.0° |
C5 | C6 | H6 | 118.1° | 120.0° |
F2'1 | C2' | F2'2 | 106.7° | 109.5° |
F2'1 | C2' | C1' | 109.0° | 109.5° |
F2'1 | C2' | C3' | 114.9° | 109.5° |
F3'1 | C3' | F3'2 | 103.7° | 109.5° |
F3'1 | C3' | C2' | 109.6° | 109.5° |
F3'1 | C3' | C4' | 111.3° | 109.5° |
F4'1 | C4' | F4'2 | 115.0° | 109.5° |
F4'1 | C4' | C3' | 121.9° | 109.5° |
F4'1 | C4' | C5' | 95.0° | 109.5° |
F5'1 | C5' | F5'2 | 123.0° | 109.5° |
F5'1 | C5' | C4' | 101.7° | 109.5° |
F5'1 | C5' | C6' | 112.3° | 109.5° |
F6'1 | C6' | F6'2 | 111.8° | 109.5° |
F6'1 | C6' | F6'3 | 106.5° | 109.5° |
F6'1 | C6' | C5' | 115.6° | 109.5° |
F2'2 | C2' | C1' | 113.2° | 109.5° |
F2'2 | C2' | C3' | 103.6° | 109.4° |
F3'2 | C3' | C2' | 109.2° | 109.5° |
F3'2 | C3' | C4' | 117.5° | 109.5° |
F4'2 | C4' | C3' | 105.5° | 109.5° |
F4'2 | C4' | C5' | 114.4° | 109.5° |
F5'2 | C5' | C4' | 94.6° | 109.5° |
F5'2 | C5' | C6' | 108.5° | 109.5° |
F6'2 | C6' | F6'3 | 108.8° | 109.5° |
F6'2 | C6' | C5' | 108.5° | 109.5° |
F6'3 | C6' | C5' | 105.3° | 109.5° |
C2' | C1' | H1' | 109.8° | 109.5° |
C2' | C1' | H1'A | 109.8° | 109.5° |
C1' | C2' | C3' | 109.5° | 109.5° |
H1' | C1' | H1'A | 109.1° | 109.5° |
C2' | C3' | C4' | 105.4° | 109.5° |
C3' | C4' | C5' | 104.5° | 109.5° |
HN3S | N3S | HN3A | 109.5° | 120.0° |
C4' | C5' | C6' | 115.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | S | N3S | O1S | 118.5° | 113.6° |
C4 | S | N3S | O2S | 113.9° | 113.5° |
C4 | S | O1S | O2S | 120.6° | 122.9° |
S | C4 | C2 | C3 | 178.5° | 180.0° |
S | C4 | C2 | C6 | 177.4° | 180.0° |
S | C4 | C2 | H2 | 1.5° | 0.1° |
S | C4 | C6 | C5 | 178.3° | 180.0° |
S | C4 | C6 | H6 | 1.7° | 0.1° |
C4 | S | N3S | HN3S | 180.0° | 0.1° |
C4 | S | N3S | HN3A | 60.0° | 180.0° |
N3S | S | O1S | O2S | 122.2° | 123.0° |
N3S | S | C4 | C2 | 52.4° | 89.9° |
N3S | S | C4 | C6 | 130.3° | 90.0° |
S | N3S | HN3S | HN3A | 120.0° | 180.0° |
O1S | S | C4 | C2 | 172.3° | 156.5° |
O1S | S | C4 | C6 | 10.4° | 23.6° |
O1S | S | N3S | HN3S | 61.5° | 113.5° |
O1S | S | N3S | HN3A | 58.6° | 66.4° |
O2S | S | C4 | C2 | 61.5° | 23.6° |
O2S | S | C4 | C6 | 115.8° | 156.4° |
O2S | S | N3S | HN3S | 66.1° | 113.6° |
O2S | S | N3S | HN3A | 173.9° | 66.5° |
C1' | N' | C7 | HN' | 180.0° | 180.0° |
C1' | N' | C7 | O' | 3.0° | 0.0° |
C1' | N' | C7 | C1 | 179.3° | 179.9° |
N' | C1' | C2' | F2'1 | 61.7° | 60.0° |
N' | C1' | C2' | F2'2 | 56.9° | 60.0° |
N' | C1' | C2' | H1' | 120.0° | 120.0° |
N' | C1' | C2' | H1'A | 120.0° | 120.0° |
N' | C1' | H1' | H1'A | 120.4° | 120.0° |
N' | C1' | C2' | C3' | 171.8° | 180.0° |
N' | C7 | O' | C1 | 177.7° | 180.0° |
N' | C7 | C1 | C5 | 169.4° | 180.0° |
N' | C7 | C1 | C3 | 7.1° | 0.2° |
C7 | N' | C1' | C2' | 95.3° | 180.0° |
C7 | N' | C1' | H1' | 144.7° | 60.0° |
C7 | N' | C1' | H1'A | 24.7° | 60.0° |
HN' | N' | C7 | O' | 177.0° | 180.0° |
HN' | N' | C7 | C1 | 0.7° | 0.0° |
HN' | N' | C1' | C2' | 84.8° | 0.0° |
HN' | N' | C1' | H1' | 35.3° | 120.0° |
HN' | N' | C1' | H1'A | 155.2° | 120.0° |
O' | C7 | C1 | C5 | 12.8° | 0.1° |
O' | C7 | C1 | C3 | 170.7° | 179.8° |
C7 | C1 | C5 | C3 | 176.5° | 179.8° |
C7 | C1 | C3 | C2 | 180.0° | 179.7° |
C7 | C1 | C3 | H3 | 0.0° | 0.2° |
C7 | C1 | C5 | C6 | 179.9° | 179.7° |
C7 | C1 | C5 | H5 | 0.1° | 0.2° |
C5 | C1 | C3 | C2 | 3.5° | 0.1° |
C5 | C1 | C3 | H3 | 176.5° | 180.0° |
C1 | C5 | C6 | C4 | 3.9° | 0.1° |
C1 | C5 | C6 | H5 | 180.0° | 179.9° |
C1 | C5 | C6 | H6 | 176.1° | 180.0° |
C1 | C3 | C2 | H3 | 180.0° | 179.9° |
C1 | C3 | C2 | C4 | 3.9° | 0.1° |
C1 | C3 | C2 | H2 | 176.1° | 180.0° |
C3 | C1 | C5 | C6 | 3.4° | 0.1° |
C3 | C1 | C5 | H5 | 176.6° | 180.0° |
C3 | C2 | C4 | H2 | 180.0° | 179.9° |
C3 | C2 | C4 | C6 | 4.1° | 0.1° |
C4 | C2 | C3 | H3 | 176.1° | 180.0° |
C2 | C4 | C6 | C5 | 4.2° | 0.1° |
C2 | C4 | C6 | H6 | 175.8° | 180.0° |
H2 | C2 | C3 | H3 | 3.9° | 0.1° |
H2 | C2 | C4 | C6 | 175.9° | 180.0° |
C4 | C6 | C5 | H6 | 180.0° | 179.9° |
C4 | C6 | C5 | H5 | 176.1° | 180.0° |
H5 | C5 | C6 | H6 | 3.9° | 0.1° |
F2'1 | C2' | C3' | F3'1 | 172.1° | 180.0° |
F2'1 | C2' | F2'2 | C1' | 119.9° | 120.1° |
F2'1 | C2' | F2'2 | C3' | 121.7° | 120.0° |
F2'1 | C2' | C3' | F3'2 | 59.1° | 60.0° |
F2'1 | C2' | C1' | C3' | 126.5° | 120.0° |
F2'1 | C2' | C1' | H1' | 58.3° | 180.0° |
F2'1 | C2' | C1' | H1'A | 178.3° | 60.0° |
F2'1 | C2' | C3' | C4' | 68.0° | 60.0° |
F3'1 | C3' | C4' | F4'1 | 145.7° | 180.0° |
F3'1 | C3' | C2' | F2'2 | 72.0° | 60.0° |
F3'1 | C3' | F3'2 | C2' | 116.8° | 120.0° |
F3'1 | C3' | F3'2 | C4' | 123.3° | 120.0° |
F3'1 | C3' | C4' | F4'2 | 12.1° | 60.0° |
F3'1 | C3' | C2' | C1' | 49.0° | 60.0° |
F3'1 | C3' | C2' | C4' | 119.9° | 120.0° |
F3'1 | C3' | C4' | C5' | 108.8° | 60.0° |
F4'1 | C4' | C5' | F5'1 | 172.7° | 180.0° |
F4'1 | C4' | C3' | F3'2 | 94.9° | 60.0° |
F4'1 | C4' | F4'2 | C3' | 137.2° | 120.0° |
F4'1 | C4' | F4'2 | C5' | 108.5° | 120.0° |
F4'1 | C4' | C5' | F5'2 | 62.2° | 60.0° |
F4'1 | C4' | C3' | C2' | 26.9° | 60.0° |
F4'1 | C4' | C3' | C5' | 105.5° | 120.0° |
F4'1 | C4' | C5' | C6' | 50.8° | 60.0° |
F5'1 | C5' | C6' | F6'1 | 160.3° | 60.0° |
F5'1 | C5' | C4' | F4'2 | 52.3° | 60.0° |
F5'1 | C5' | F5'2 | C4' | 107.2° | 120.0° |
F5'1 | C5' | F5'2 | C6' | 134.0° | 120.0° |
F5'1 | C5' | C6' | F6'2 | 73.2° | 180.0° |
F5'1 | C5' | C6' | F6'3 | 43.1° | 60.0° |
F5'1 | C5' | C4' | C3' | 62.5° | 60.0° |
F5'1 | C5' | C4' | C6' | 121.9° | 120.0° |
F6'1 | C6' | C5' | F5'2 | 21.0° | 180.0° |
F6'1 | C6' | F6'2 | F6'3 | 117.3° | 120.0° |
F6'1 | C6' | F6'2 | C5' | 128.6° | 120.0° |
F6'1 | C6' | F6'3 | C5' | 123.2° | 120.0° |
F6'1 | C6' | C5' | C4' | 83.7° | 60.0° |
F2'2 | C2' | C3' | F3'2 | 175.1° | 180.0° |
F2'2 | C2' | C1' | C3' | 115.0° | 119.9° |
F2'2 | C2' | C1' | H1' | 176.9° | 60.0° |
F2'2 | C2' | C1' | H1'A | 63.1° | 180.0° |
F2'2 | C2' | C3' | C4' | 47.9° | 60.0° |
F3'2 | C3' | C4' | F4'2 | 131.5° | 180.0° |
F3'2 | C3' | C2' | C1' | 64.0° | 60.0° |
F3'2 | C3' | C2' | C4' | 127.1° | 120.0° |
F3'2 | C3' | C4' | C5' | 10.6° | 60.0° |
F4'2 | C4' | C5' | F5'2 | 177.3° | 180.0° |
F4'2 | C4' | C3' | C2' | 106.6° | 60.0° |
F4'2 | C4' | C3' | C5' | 120.9° | 120.0° |
F4'2 | C4' | C5' | C6' | 69.6° | 60.0° |
F5'2 | C5' | C6' | F6'2 | 147.5° | 60.0° |
F5'2 | C5' | C6' | F6'3 | 96.2° | 60.0° |
F5'2 | C5' | C4' | C3' | 62.6° | 60.0° |
F5'2 | C5' | C4' | C6' | 113.1° | 120.0° |
F6'2 | C6' | F6'3 | C5' | 116.1° | 120.0° |
F6'2 | C6' | C5' | C4' | 42.8° | 60.0° |
F6'3 | C6' | C5' | C4' | 159.1° | 180.0° |
C2' | C1' | H1' | H1'A | 120.4° | 120.0° |
C1' | C2' | C3' | C4' | 168.9° | 180.0° |
H1' | C1' | C2' | C3' | 68.1° | 60.0° |
H1'A | C1' | C2' | C3' | 51.8° | 60.0° |
C2' | C3' | C4' | C5' | 132.5° | 180.0° |
C3' | C4' | C5' | C6' | 175.6° | 180.0° |