0 mol 16 unq 0 iso 0 dist 9.76968 8.55371 5.47769 10.406 5.48395 9.05346 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 11.7823 6.73162 12.5689 5.3315 9.97117 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.88695 6.66387 9.16962 8.6112 4.09495 8.62693 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 9.59244 4.07863 6.23899 5.81747 10.6918 8.17564 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 9.59244 4.07863 6.23899 6.81975 7.5168 7.19213 numMergedOcc 0
5 mol 59 unq 2 iso 0 dist 9.59244 4.07863 6.23899 10.0694 9.2891 6.94351 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 16.5061 9.43289 9.30724 numMergedOcc 0
7 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 11.2844 9.43289 9.30724 numMergedOcc 0
8 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 11.2844 3.97343 9.30724 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 8.69069 4.41983 8.67367 8.36326 3.96825 6.64631 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.3476 7.38295 8.95838 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 11.8884 9.58951 9.47892 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.81337 6.25099 6.91348 12.2899 5.59449 9.90096 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 6.7973 9.64056 9.86313 16.1588 14.7279 7.62575 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 4.44292 4.40049 7.39644 6.91762 5.01007 8.02593 numMergedOcc 0
15 mol 155 unq 2 iso 0 dist 4.44292 4.40049 7.39644 12.165 12.7814 8.77391 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 10.9006 7.37327 15.972 6.20895 9.70025 numMergedOcc 0
17 mol 183 unq 0 iso 0 dist 5.83071 9.81014 9.93083 5.44125 4.81807 7.42108 numMergedOcc 0
18 mol 183 unq 1 iso 0 dist 5.83071 9.81014 9.93083 8.7143 7.68618 9.19941 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 8.5119 9.20149 7.18041 16.5482 10.2817 8.27907 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 8.5119 11.711 7.17547 16.6376 11.7195 7.90156 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 9.55777 5.78005 6.82208 10.9808 4.82768 7.35476 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.70279 6.17401 7.07392 13.7548 12.6449 7.79085 numMergedOcc 0
23 mol 232 unq 1 iso 0 dist 7.70279 6.17401 7.07392 12.5589 10.0878 6.48753 numMergedOcc 0
24 mol 232 unq 2 iso 0 dist 7.70279 6.17401 7.07392 12.4712 8.32185 7.83802 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.48065 5.52698 8.21247 8.92054 6.84447 8.19915 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 8.90987 14.3961 7.17676 14.4736 11.2013 6.98151 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.24928 6.66018 6.91569 14.9955 11.9794 9.88122 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 9.13537 6.16476 5.38637 14.4828 13.8985 9.94175 numMergedOcc 0
29 mol 238 unq 2 iso 0 dist 9.13537 6.16476 5.38637 13.7774 5.33567 8.81534 numMergedOcc 0
30 mol 238 unq 3 iso 0 dist 9.32451 4.81145 6.05141 10.0444 6.76977 6.24435 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 13.3981 12.7699 9.53092 numMergedOcc 0
32 mol 259 unq 1 iso 0 dist 6.42725 6.58569 7.76676 5.30455 5.59901 8.46351 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.43858 12.5468 9.0012 18.4172 11.2529 8.44015 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 8.43858 15.8008 9.5784 18.4172 11.2529 6.21206 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 9.65265 6.93865 6.50589 13.3657 4.56913 8.62431 numMergedOcc 0
