0 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 15.2411 10.7734 7.98326 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.49709 10.4181 5.96346 10.4679 9.62262 7.46578 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 8.92687 8.4051 13.3777 12.176 6.72323 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.94828 6.84017 6.16347 12.0615 6.08585 6.25843 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.90473 6.09666 7.36856 4.9737 5.81765 6.93197 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.96446 8.51558 5.9465 6.15011 8.70803 6.77241 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 9.96446 8.51558 5.9465 11.0503 9.52327 5.50508 numMergedOcc 0
7 mol 92 unq 2 iso 0 dist 6.70686 8.51558 6.97962 6.15011 8.87994 6.77241 numMergedOcc 0
8 mol 92 unq 3 iso 0 dist 6.70686 8.51558 6.97962 11.0503 11.641 5.50508 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 11.7625 7.06961 6.88901 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 7.54969 13.2316 6.65501 9.49967 7.06961 6.88901 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.61812 7.76066 7.80975 14.1322 5.42531 9.5057 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.61812 7.76066 7.80975 9.58313 4.86592 5.75014 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 4.68975 6.64576 5.83771 7.85849 4.60632 6.40575 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 4.9155 6.64576 7.80532 7.85849 5.71679 6.40575 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 8.49987 5.54455 7.80532 10.2775 5.71679 6.40575 numMergedOcc 0
16 mol 134 unq 3 iso 0 dist 9.42271 5.87436 7.80532 6.08299 5.71679 6.40575 numMergedOcc 0
17 mol 134 unq 4 iso 0 dist 5.79157 12.2847 9.94764 15.5987 14.9876 6.40575 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 9.01017 6.06566 7.32087 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.09874 5.06341 6.22122 13.585 13.0409 8.86197 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.74465 5.03999 6.46704 12.3404 7.81713 7.32087 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 9.74465 13.5125 6.59025 12.3404 7.81713 8.86197 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 9.74465 13.5125 6.59025 16.4931 7.16549 5.94379 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 9.36732 9.71153 6.86319 16.6341 10.645 7.21349 numMergedOcc 0
24 mol 232 unq 0 iso 0 dist 7.57253 5.70548 9.05071 11.059 4.9377 9.8664 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 5.60236 5.86896 6.36341 8.08581 5.5163 6.94789 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 9.03917 4.88651 6.36341 5.98104 5.5163 6.94789 numMergedOcc 0
27 mol 235 unq 2 iso 0 dist 6.56775 4.88651 6.21292 5.98104 7.77516 6.94789 numMergedOcc 0
28 mol 237 unq 0 iso 0 dist 7.77366 4.61626 9.16003 11.8219 11.1554 8.10254 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 9.13226 8.85159 9.85289 6.74022 5.29529 6.88827 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 7.43241 10.1686 6.78191 6.53769 4.50325 7.34931 numMergedOcc 0
