0 mol 11 unq 0 iso 0 dist 9.74528 11.3059 9.89425 15.0022 6.83186 12.0683 12.8782 6.76736 6.859 10.0282 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 5.65754 5.61248 7.7447 10.0962 8.25818 11.1587 8.3964 9.63925 5.80953 7.85986 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 6.80828 5.45544 5.99655 4.52631 9.2087 8.80559 13.9571 9.01071 9.41017 16.1912 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.26566 9.4465 8.71074 5.08181 7.7485 7.18877 16.6085 16.2325 7.98985 14.2533 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 9.21479 5.41884 6.5551 7.63923 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 5.26904 7.07839 10.0372 15.0808 7.66499 5.05893 14.0171 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 8.66427 12.4236 5.37869 11.9441 9.09711 11.8779 15.0808 7.66499 5.05893 15.5788 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 15.0808 7.66499 5.05893 8.04853 numMergedOcc 0
8 mol 85 unq 3 iso 0 dist 8.66427 12.4236 5.37869 6.77316 7.91193 11.7094 15.0808 7.66499 5.05893 15.4163 numMergedOcc 0
9 mol 85 unq 4 iso 0 dist 8.66427 12.4236 5.37869 9.54731 9.63449 12.2971 15.0808 7.66499 5.05893 11.3824 numMergedOcc 0
10 mol 85 unq 5 iso 0 dist 8.66427 9.61831 4.05415 5.26904 7.07839 8.78995 15.0808 7.66499 5.71866 14.0171 numMergedOcc 0
11 mol 85 unq 6 iso 0 dist 8.66427 9.61831 4.05415 11.9441 9.09711 12.4835 15.0808 7.66499 5.71866 15.5788 numMergedOcc 0
12 mol 85 unq 7 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 15.0808 7.66499 5.71866 8.04853 numMergedOcc 0
13 mol 85 unq 8 iso 0 dist 8.66427 9.61831 4.05415 6.77316 7.91193 10.7591 15.0808 7.66499 5.71866 15.4163 numMergedOcc 0
14 mol 85 unq 9 iso 0 dist 8.66427 9.61831 4.05415 9.54731 9.63449 8.64367 15.0808 7.66499 5.71866 11.3824 numMergedOcc 0
15 mol 85 unq 10 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 9.18097 5.22259 5.05893 8.04853 numMergedOcc 0
16 mol 85 unq 11 iso 0 dist 7.51319 8.08787 4.29937 17.0873 9.78707 12.2971 9.18097 5.22259 5.05893 11.3824 numMergedOcc 0
17 mol 85 unq 12 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 9.18097 5.22259 5.71866 8.04853 numMergedOcc 0
18 mol 85 unq 13 iso 0 dist 7.51319 10.4844 3.65628 17.0873 9.78707 8.64367 9.18097 5.22259 5.71866 11.3824 numMergedOcc 0
19 mol 85 unq 14 iso 0 dist 8.49887 8.08787 5.37869 13.5026 7.07839 10.0372 9.18097 7.66499 5.05893 14.0171 numMergedOcc 0
20 mol 85 unq 15 iso 0 dist 8.49887 8.08787 5.37869 10.1386 9.09711 11.8779 9.18097 7.66499 5.05893 15.5788 numMergedOcc 0
21 mol 85 unq 16 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 9.18097 7.66499 5.05893 8.04853 numMergedOcc 0
22 mol 85 unq 17 iso 0 dist 8.49887 8.08787 5.37869 13.1772 7.91193 11.7094 9.18097 7.66499 5.05893 15.4163 numMergedOcc 0
23 mol 85 unq 18 iso 0 dist 8.49887 8.08787 5.37869 17.0873 9.63449 12.2971 9.18097 7.66499 5.05893 11.3824 numMergedOcc 0
24 mol 85 unq 19 iso 0 dist 8.49887 10.4844 4.05415 13.5026 7.07839 8.78995 9.18097 7.66499 5.71866 14.0171 numMergedOcc 0
25 mol 85 unq 20 iso 0 dist 8.49887 10.4844 4.05415 10.1386 9.09711 12.4835 9.18097 7.66499 5.71866 15.5788 numMergedOcc 0
26 mol 85 unq 21 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 9.18097 7.66499 5.71866 8.04853 numMergedOcc 0
27 mol 85 unq 22 iso 0 dist 8.49887 10.4844 4.05415 13.1772 7.91193 10.7591 9.18097 7.66499 5.71866 15.4163 numMergedOcc 0
28 mol 85 unq 23 iso 0 dist 8.49887 10.4844 4.05415 17.0873 9.63449 8.64367 9.18097 7.66499 5.71866 11.3824 numMergedOcc 0
29 mol 85 unq 24 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 8.83135 5.22259 5.05893 8.04853 numMergedOcc 0
30 mol 85 unq 25 iso 0 dist 9.43839 11.053 4.29937 4.43737 9.78707 12.2971 8.83135 5.22259 5.05893 11.3824 numMergedOcc 0
31 mol 85 unq 26 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 8.83135 5.22259 5.71866 8.04853 numMergedOcc 0
32 mol 85 unq 27 iso 0 dist 9.43839 7.97629 3.65628 4.43737 9.78707 8.64367 8.83135 5.22259 5.71866 11.3824 numMergedOcc 0
33 mol 107 unq 0 iso 0 dist 7.2168 13.076 6.49371 8.41816 8.88124 10.4294 13.4265 8.49625 5.33764 10.5526 numMergedOcc 0
34 mol 107 unq 1 iso 0 dist 7.2168 13.076 6.49371 15.3177 8.19484 3.40943 13.4265 8.49625 5.33764 7.89505 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 5.4455 3.7326 4.19371 8.43182 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 5.4455 3.7326 9.71015 8.43182 numMergedOcc 0
37 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 11.7008 4.68722 9.23342 5.4455 7.29209 4.19371 8.43182 numMergedOcc 0
38 mol 194 unq 3 iso 0 dist 9.81055 5.39223 5.89939 14.7138 5.18325 10.3782 5.4455 7.29209 4.19371 11.0347 numMergedOcc 0
39 mol 194 unq 4 iso 0 dist 9.81055 7.15294 8.18853 11.7008 4.68722 11.7699 5.4455 7.29209 9.71015 8.43182 numMergedOcc 0
40 mol 194 unq 5 iso 0 dist 9.81055 7.15294 8.18853 14.7138 5.18325 13.0759 5.4455 7.29209 9.71015 11.0347 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 13.8459 7.23583 5.44533 8.41013 numMergedOcc 0
42 mol 260 unq 0 iso 0 dist 6.90472 13.8859 7.49606 11.9315 8.62655 7.35802 10.4828 7.28821 9.31888 6.49413 numMergedOcc 0
