VT6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | doub | 1.22Å | 1.19Å | |
C2 | N3 | sing | 1.35Å | 1.32Å | |
C2 | N1 | sing | 1.35Å | 1.33Å | |
N3 | C4 | sing | 1.35Å | 1.32Å | |
C2' | C1' | sing | 1.54Å | 1.29Å | |
C2' | C3' | sing | 1.54Å | 1.53Å | |
C1' | N1 | sing | 1.47Å | 1.46Å | |
C1' | O4' | sing | 1.44Å | 1.59Å | |
N1 | C6 | sing | 1.37Å | 1.31Å | |
O3' | C3' | sing | 1.43Å | 1.38Å | |
C4 | O4 | doub | 1.22Å | 1.38Å | |
C4 | C5 | sing | 1.42Å | 1.39Å | |
C3' | C4' | sing | 1.55Å | 1.54Å | |
O4' | C4' | sing | 1.44Å | 1.30Å | |
C6 | C5 | doub | 1.35Å | 1.38Å | |
C4' | C5' | sing | 1.53Å | 1.57Å | |
C5 | C7 | sing | 1.51Å | 1.53Å | |
O2B | PB | doub | 1.48Å | 1.52Å | |
C5' | O5' | sing | 1.43Å | 1.40Å | |
O5' | PA | sing | 1.61Å | 1.65Å | |
O3A | PB | sing | 1.61Å | 1.63Å | |
O3A | PA | sing | 1.61Å | 1.63Å | |
PB | O1B | sing | 1.61Å | 1.50Å | |
PB | C3B | sing | 1.82Å | 1.86Å | |
F3B | C3B | sing | 1.40Å | 1.38Å | |
PA | O2A | doub | 1.48Å | 1.51Å | |
PA | O1A | sing | 1.61Å | 1.52Å | |
C3B | CL1 | sing | 1.80Å | 1.78Å | |
C3B | PG | sing | 1.82Å | 1.85Å | |
O3G | PG | doub | 1.48Å | 1.50Å | |
PG | O1G | sing | 1.61Å | 1.50Å | |
PG | O2G | sing | 1.61Å | 1.52Å | |
C7 | H1 | sing | 1.09Å | 1.10Å | |
C7 | H2 | sing | 1.09Å | 1.10Å | |
C7 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.08Å | 1.08Å | |
N3 | H5 | sing | 0.97Å | 1.00Å | |
C1' | H6 | sing | 1.09Å | 1.10Å | |
C2' | H7 | sing | 1.09Å | 1.10Å | |
C2' | H8 | sing | 1.09Å | 1.10Å | |
C3' | H9 | sing | 1.09Å | 1.10Å | |
O3' | H10 | sing | 0.97Å | 0.95Å | |
C4' | H11 | sing | 1.09Å | 1.10Å | |
C5' | H12 | sing | 1.09Å | 1.10Å | |
C5' | H13 | sing | 1.09Å | 1.10Å | |
O1A | H14 | sing | 0.97Å | 0.95Å | |
O1B | H15 | sing | 0.97Å | 0.95Å | |
O2G | H16 | sing | 0.97Å | 0.95Å | |
O1G | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | N3 | 118.8° | 119.6° |
O2 | C2 | N1 | 119.1° | 119.6° |
N3 | C2 | N1 | 122.1° | 120.9° |
C2 | N3 | C4 | 119.3° | 120.3° |
C2 | N3 | H5 | 120.4° | 119.8° |
C2 | N1 | C1' | 120.6° | 119.7° |
C2 | N1 | C6 | 120.6° | 120.7° |
N3 | C4 | O4 | 120.7° | 120.4° |
N3 | C4 | C5 | 120.8° | 119.3° |
C4 | N3 | H5 | 120.4° | 119.8° |
C1' | C2' | C3' | 106.5° | 104.1° |
C2' | C1' | N1 | 109.1° | 110.3° |
C2' | C1' | O4' | 106.1° | 104.8° |
C2' | C1' | H6 | 112.9° | 110.5° |
C1' | C2' | H7 | 110.2° | 110.5° |
C1' | C2' | H8 | 110.2° | 110.6° |
C2' | C3' | O3' | 112.3° | 110.6° |
C2' | C3' | C4' | 100.3° | 104.0° |
C3' | C2' | H7 | 110.2° | 110.5° |
C3' | C2' | H8 | 110.2° | 110.6° |
C2' | C3' | H9 | 109.5° | 110.5° |
N1 | C1' | O4' | 110.1° | 110.4° |
C1' | N1 | C6 | 118.9° | 119.7° |
N1 | C1' | H6 | 110.2° | 110.4° |
C1' | O4' | C4' | 108.1° | 105.3° |
O4' | C1' | H6 | 108.4° | 110.4° |
N1 | C6 | C5 | 119.9° | 119.7° |
N1 | C6 | H4 | 120.1° | 120.2° |
O3' | C3' | C4' | 113.1° | 110.5° |
O3' | C3' | H9 | 111.7° | 110.5° |
C3' | O3' | H10 | 109.5° | 114.0° |
O4 | C4 | C5 | 118.6° | 120.3° |
C4 | C5 | C6 | 117.4° | 119.1° |
C4 | C5 | C7 | 121.9° | 120.4° |
C3' | C4' | O4' | 104.4° | 104.8° |
C3' | C4' | C5' | 111.2° | 110.4° |
C4' | C3' | H9 | 109.4° | 110.5° |
C3' | C4' | H11 | 109.1° | 110.3° |
O4' | C4' | C5' | 110.5° | 110.4° |
O4' | C4' | H11 | 112.9° | 110.4° |
C6 | C5 | C7 | 120.7° | 120.4° |
C5 | C6 | H4 | 120.0° | 120.1° |
C4' | C5' | O5' | 109.2° | 109.5° |
C5' | C4' | H11 | 108.7° | 110.4° |
C4' | C5' | H12 | 109.5° | 109.5° |
C4' | C5' | H13 | 109.5° | 109.5° |
C5 | C7 | H1 | 109.5° | 109.5° |
C5 | C7 | H2 | 109.5° | 109.4° |
C5 | C7 | H3 | 109.5° | 109.5° |
O2B | PB | O3A | 104.3° | 109.4° |
O2B | PB | O1B | 111.9° | 109.5° |
O2B | PB | C3B | 107.0° | 109.5° |
C5' | O5' | PA | 114.8° | 123.0° |
O5' | C5' | H12 | 109.5° | 109.5° |
O5' | C5' | H13 | 109.6° | 109.4° |
O5' | PA | O3A | 105.5° | 109.5° |
O5' | PA | O2A | 109.4° | 109.4° |
O5' | PA | O1A | 109.7° | 109.5° |
PB | O3A | PA | 131.2° | 134.0° |
O3A | PB | O1B | 113.1° | 109.5° |
O3A | PB | C3B | 108.5° | 109.4° |
O3A | PA | O2A | 105.3° | 109.4° |
O3A | PA | O1A | 112.1° | 109.5° |
O1B | PB | C3B | 111.6° | 109.5° |
PB | O1B | H15 | 109.5° | 114.0° |
PB | C3B | F3B | 110.7° | 109.5° |
PB | C3B | CL1 | 109.8° | 109.5° |
PB | C3B | PG | 110.2° | 109.4° |
F3B | C3B | CL1 | 108.2° | 109.5° |
F3B | C3B | PG | 109.5° | 109.5° |
O2A | PA | O1A | 114.4° | 109.5° |
PA | O1A | H14 | 109.5° | 114.0° |
CL1 | C3B | PG | 108.4° | 109.5° |
C3B | PG | O3G | 106.8° | 109.5° |
C3B | PG | O1G | 109.2° | 109.5° |
C3B | PG | O2G | 108.3° | 109.5° |
O3G | PG | O1G | 112.1° | 109.5° |
O3G | PG | O2G | 113.8° | 109.5° |
O1G | PG | O2G | 106.5° | 109.5° |
PG | O1G | H17 | 109.5° | 114.0° |
PG | O2G | H16 | 109.5° | 114.0° |
H1 | C7 | H2 | 109.4° | 109.4° |
H1 | C7 | H3 | 109.5° | 109.5° |
H2 | C7 | H3 | 109.5° | 109.5° |
H7 | C2' | H8 | 109.5° | 110.5° |
H12 | C5' | H13 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | N3 | N1 | 179.9° | 179.9° |
O2 | C2 | N3 | C4 | 179.1° | 180.0° |
O2 | C2 | N1 | C1' | 1.2° | 0.1° |
O2 | C2 | N1 | C6 | 179.4° | 179.7° |
O2 | C2 | N3 | H5 | 0.9° | 0.0° |
C2 | N3 | C4 | H5 | 180.0° | 180.0° |
N3 | C2 | N1 | C1' | 178.7° | 180.0° |
N3 | C2 | N1 | C6 | 0.5° | 0.2° |
C2 | N3 | C4 | O4 | 179.9° | 180.0° |
C2 | N3 | C4 | C5 | 0.6° | 0.3° |
N1 | C2 | N3 | C4 | 0.8° | 0.0° |
C2 | N1 | C1' | C2' | 94.6° | 61.9° |
C2 | N1 | C1' | C6 | 178.2° | 179.8° |
C2 | N1 | C1' | O4' | 149.4° | 53.5° |
C2 | N1 | C6 | C5 | 0.1° | 0.2° |
C2 | N1 | C6 | H4 | 179.9° | 179.8° |
N1 | C2 | N3 | H5 | 179.2° | 180.0° |
C2 | N1 | C1' | H6 | 29.8° | 175.7° |
N3 | C4 | O4 | C5 | 179.5° | 179.6° |
N3 | C4 | C5 | C6 | 0.2° | 0.3° |
N3 | C4 | C5 | C7 | 179.9° | 179.7° |
C1' | C2' | C3' | H7 | 119.5° | 118.6° |
C1' | C2' | C3' | H8 | 119.6° | 118.7° |
C2' | C1' | N1 | O4' | 116.0° | 115.3° |
C2' | C1' | N1 | H6 | 124.5° | 122.4° |
C2' | C1' | O4' | H6 | 121.5° | 119.0° |
C2' | C1' | N1 | C6 | 83.6° | 117.9° |
C1' | C2' | C3' | O3' | 155.9° | 118.6° |
C1' | C2' | C3' | C4' | 35.6° | 0.1° |
C2' | C1' | O4' | C4' | 2.8° | 40.5° |
C1' | C2' | H7 | H8 | 121.4° | 122.7° |
C1' | C2' | C3' | H9 | 79.5° | 118.6° |
C3' | C2' | C1' | N1 | 97.2° | 142.8° |
C3' | C2' | C1' | O4' | 21.4° | 24.0° |
C2' | C3' | O3' | C4' | 112.6° | 114.7° |
C2' | C3' | O3' | H9 | 123.4° | 122.7° |
C2' | C3' | C4' | H9 | 115.1° | 118.6° |
C2' | C3' | C4' | O4' | 36.7° | 23.9° |
C2' | C3' | C4' | C5' | 155.8° | 142.8° |
C3' | C2' | C1' | H6 | 140.0° | 94.9° |
C3' | C2' | H7 | H8 | 121.4° | 122.7° |
C2' | C3' | O3' | H10 | 144.2° | 61.4° |
C2' | C3' | C4' | H11 | 84.2° | 94.9° |
N1 | C1' | O4' | H6 | 120.6° | 122.3° |
N1 | C1' | O4' | C4' | 120.7° | 159.3° |
C1' | N1 | C6 | C5 | 178.3° | 180.0° |
C1' | N1 | C6 | H4 | 1.7° | 0.0° |
N1 | C1' | C2' | H7 | 143.3° | 98.6° |
N1 | C1' | C2' | H8 | 22.4° | 24.1° |
O4' | C1' | N1 | C6 | 32.4° | 126.7° |
C1' | O4' | C4' | C3' | 25.2° | 40.5° |
C1' | O4' | C4' | C5' | 144.8° | 159.4° |
O4' | C1' | C2' | H7 | 98.2° | 142.6° |
O4' | C1' | C2' | H8 | 140.9° | 94.7° |
C1' | O4' | C4' | H11 | 93.2° | 78.3° |
N1 | C6 | C5 | C4 | 0.1° | 0.1° |
N1 | C6 | C5 | H4 | 180.0° | 180.0° |
N1 | C6 | C5 | C7 | 179.6° | 180.0° |
C6 | N1 | C1' | H6 | 152.0° | 4.5° |
O3' | C3' | C4' | H9 | 125.2° | 122.7° |
O3' | C3' | C4' | O4' | 156.4° | 142.6° |
O3' | C3' | C4' | C5' | 84.4° | 98.5° |
O3' | C3' | C2' | H7 | 36.4° | 0.0° |
O3' | C3' | C2' | H8 | 84.5° | 122.6° |
O3' | C3' | C4' | H11 | 35.5° | 23.8° |
O4 | C4 | C5 | C6 | 179.7° | 180.0° |
O4 | C4 | C5 | C7 | 0.6° | 0.1° |
O4 | C4 | N3 | H5 | 0.1° | 0.0° |
C4 | C5 | C6 | C7 | 179.7° | 179.9° |
C4 | C5 | C7 | H1 | 180.0° | 0.1° |
C4 | C5 | C7 | H2 | 60.0° | 120.0° |
C4 | C5 | C7 | H3 | 60.0° | 120.0° |
C4 | C5 | C6 | H4 | 179.9° | 179.9° |
C5 | C4 | N3 | H5 | 179.4° | 179.7° |
C3' | C4' | O4' | C5' | 119.6° | 118.9° |
C3' | C4' | O4' | H11 | 118.4° | 118.8° |
C3' | C4' | C5' | H11 | 120.2° | 122.2° |
C3' | C4' | C5' | O5' | 63.2° | 175.0° |
C4' | C3' | C2' | H7 | 83.9° | 118.7° |
C4' | C3' | C2' | H8 | 155.1° | 118.7° |
C4' | C3' | O3' | H10 | 103.2° | 176.1° |
C3' | C4' | C5' | H12 | 176.8° | 54.9° |
C3' | C4' | C5' | H13 | 56.8° | 65.0° |
O4' | C4' | C5' | H11 | 124.4° | 122.4° |
O4' | C4' | C5' | O5' | 52.2° | 69.6° |
C4' | O4' | C1' | H6 | 118.7° | 78.4° |
O4' | C4' | C3' | H9 | 78.4° | 94.7° |
O4' | C4' | C5' | H12 | 67.7° | 170.4° |
O4' | C4' | C5' | H13 | 172.2° | 50.4° |
C6 | C5 | C7 | H1 | 0.3° | 180.0° |
C6 | C5 | C7 | H2 | 119.7° | 60.0° |
C6 | C5 | C7 | H3 | 120.3° | 60.0° |
C4' | C5' | O5' | H12 | 119.9° | 120.1° |
C4' | C5' | O5' | H13 | 120.0° | 120.0° |
C4' | C5' | O5' | PA | 134.6° | 180.0° |
C5' | C4' | C3' | H9 | 40.8° | 24.2° |
C4' | C5' | H12 | H13 | 120.1° | 120.0° |
C5 | C7 | H1 | H2 | 120.0° | 119.9° |
C5 | C7 | H1 | H3 | 120.0° | 120.1° |
C5 | C7 | H2 | H3 | 120.0° | 120.0° |
C7 | C5 | C6 | H4 | 0.4° | 0.0° |
O2B | PB | O3A | O1B | 121.8° | 120.0° |
O2B | PB | O3A | C3B | 113.8° | 119.9° |
O2B | PB | O3A | PA | 147.2° | 60.0° |
O2B | PB | O1B | C3B | 119.9° | 120.0° |
O2B | PB | C3B | F3B | 25.7° | 60.0° |
O2B | PB | C3B | CL1 | 93.7° | 180.0° |
O2B | PB | C3B | PG | 147.1° | 60.0° |
O2B | PB | O1B | H15 | 0.0° | 180.0° |
C5' | O5' | PA | O3A | 65.2° | 175.0° |
C5' | O5' | PA | O2A | 178.1° | 55.0° |
C5' | O5' | PA | O1A | 55.7° | 65.0° |
O5' | C5' | C4' | H11 | 176.6° | 52.8° |
O5' | C5' | H12 | H13 | 120.1° | 119.9° |
O5' | PA | O3A | PB | 112.2° | 164.9° |
O5' | PA | O3A | O2A | 115.7° | 120.0° |
O5' | PA | O3A | O1A | 119.4° | 120.0° |
O5' | PA | O2A | O1A | 123.5° | 120.0° |
PA | O5' | C5' | H12 | 105.5° | 60.0° |
PA | O5' | C5' | H13 | 14.6° | 60.0° |
O5' | PA | O1A | H14 | 123.4° | 60.0° |
O3A | PB | O1B | C3B | 122.6° | 120.0° |
O3A | PB | C3B | F3B | 137.8° | 60.0° |
PB | O3A | PA | O2A | 132.1° | 45.0° |
PB | O3A | PA | O1A | 7.2° | 75.0° |
O3A | PB | C3B | CL1 | 18.3° | 60.1° |
O3A | PB | C3B | PG | 100.9° | 180.0° |
O3A | PB | O1B | H15 | 117.4° | 60.0° |
PA | O3A | PB | O1B | 25.4° | 60.0° |
PA | O3A | PB | C3B | 99.0° | 180.0° |
O3A | PA | O2A | O1A | 123.5° | 120.0° |
O3A | PA | O1A | H14 | 119.7° | 60.1° |
O1B | PB | C3B | F3B | 97.0° | 180.0° |
O1B | PB | C3B | CL1 | 143.6° | 60.0° |
O1B | PB | C3B | PG | 24.3° | 60.0° |
PB | C3B | F3B | CL1 | 120.4° | 120.0° |
PB | C3B | F3B | PG | 121.7° | 120.0° |
PB | C3B | CL1 | PG | 120.4° | 119.9° |
PB | C3B | PG | O3G | 85.0° | 60.0° |
PB | C3B | PG | O1G | 36.4° | 60.0° |
PB | C3B | PG | O2G | 152.0° | 180.0° |
C3B | PB | O1B | H15 | 119.9° | 60.0° |
F3B | C3B | CL1 | PG | 118.7° | 120.0° |
F3B | C3B | PG | O3G | 37.0° | 60.0° |
F3B | C3B | PG | O1G | 158.4° | 180.0° |
F3B | C3B | PG | O2G | 86.0° | 60.0° |
O2A | PA | O1A | H14 | 0.0° | 180.0° |
CL1 | C3B | PG | O3G | 154.8° | 180.0° |
CL1 | C3B | PG | O1G | 83.7° | 60.0° |
CL1 | C3B | PG | O2G | 31.8° | 60.0° |
C3B | PG | O3G | O1G | 119.5° | 120.0° |
C3B | PG | O3G | O2G | 119.5° | 120.0° |
C3B | PG | O1G | O2G | 116.7° | 120.0° |
C3B | PG | O2G | H16 | 118.6° | 180.0° |
C3B | PG | O1G | H17 | 118.2° | 60.0° |
O3G | PG | O1G | O2G | 125.1° | 120.0° |
O3G | PG | O2G | H16 | 0.0° | 60.0° |
O3G | PG | O1G | H17 | 0.0° | 180.0° |
O1G | PG | O2G | H16 | 124.1° | 60.0° |
O2G | PG | O1G | H17 | 125.1° | 60.0° |
H1 | C7 | H2 | H3 | 120.0° | 120.0° |
H6 | C1' | C2' | H7 | 20.4° | 23.8° |
H6 | C1' | C2' | H8 | 100.5° | 146.4° |
H7 | C2' | C3' | H9 | 161.0° | 122.7° |
H8 | C2' | C3' | H9 | 40.1° | 0.1° |
H9 | C3' | O3' | H10 | 20.8° | 61.3° |
H9 | C3' | C4' | H11 | 160.7° | 146.5° |
H11 | C4' | C5' | H12 | 56.7° | 67.3° |
H11 | C4' | C5' | H13 | 63.4° | 172.7° |