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DHI-single.gro
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59 lines (59 loc) · 2.53 KB
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LIGPARGEN GENERATED GRO FILE
56
1QI2 H00 1 1.051 2.150 0.987
1QI2 O01 2 1.050 2.074 1.045
1QI2 C02 3 1.163 2.007 1.034
1QI2 C03 4 1.291 2.087 1.018
1QI2 C04 5 1.164 1.852 1.036
1QI2 H05 6 1.294 2.196 1.011
1QI2 C06 7 1.418 2.005 1.018
1QI2 O07 8 1.047 1.789 1.038
1QI2 C08 9 1.296 1.771 1.044
1QI2 C09 10 1.423 1.857 1.040
1QI2 C0A 11 1.558 2.053 1.008
1QI2 C0B 12 1.292 1.618 1.049
1QI2 N0C 13 1.561 1.810 1.053
1QI2 H0D 14 1.590 2.156 0.990
1QI2 C0E 15 1.644 1.931 1.041
1QI2 C0F 16 1.167 1.531 1.056
1QI2 N0G 17 1.412 1.532 1.043
1QI2 C0H 18 1.797 1.929 1.053
1QI2 H0I 19 1.066 1.568 1.060
1QI2 C0J 20 1.214 1.389 1.055
1QI2 H0K 21 1.507 1.564 1.038
1QI2 C0M 22 1.364 1.392 1.048
1QI2 C0N 23 1.878 2.063 1.052
1QI2 C0O 24 1.882 1.802 1.049
1QI2 C0P 25 1.132 1.261 1.054
1QI2 C0Q 26 1.449 1.264 1.042
1QI2 O0R 27 1.814 2.180 1.045
1QI2 C0S 28 2.033 2.063 1.057
1QI2 N0T 29 1.836 1.663 1.043
1QI2 C0U 30 2.032 1.806 1.049
1QI2 H0V 31 1.023 1.261 1.049
1QI2 C0W 32 1.211 1.130 1.058
1QI2 C0X 33 1.604 1.260 1.027
1QI2 C0Y 34 1.367 1.130 1.056
1QI2 O0Z 35 2.107 2.172 1.043
1QI2 C10 36 2.113 1.933 1.051
1QI2 H11 37 1.740 1.633 1.041
1QI2 C12 38 1.956 1.578 1.039
1QI2 C13 39 2.081 1.666 1.043
1QI2 O14 40 1.143 1.017 1.057
1QI2 N15 41 1.687 1.383 1.024
1QI2 C16 42 1.692 1.136 1.021
1QI2 O17 43 1.427 1.013 1.059
1QI2 H18 44 2.221 1.934 1.048
1QI2 C19 45 1.953 1.423 1.032
1QI2 H1A 46 2.186 1.636 1.037
1QI2 C1B 47 1.827 1.337 1.019
1QI2 H1C 48 1.663 1.031 1.023
1QI2 C1D 49 1.833 1.187 1.019
1QI2 C1E 50 2.087 1.343 1.030
1QI2 C1F 51 1.962 1.107 1.030
1QI2 O1G 52 2.206 1.401 1.040
1QI2 C1H 53 2.091 1.189 1.034
1QI2 H1I 54 1.961 0.997 1.032
1QI2 O1J 55 2.208 1.129 1.052
1QI2 H1K 56 2.275 1.196 1.065
3.25200 3.19900 2.07800