0 mol 48 unq 0 iso 0 dist 9.05694 4.93472 7.90364 8.28032 5.54472 5.54746 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.69081 5.03724 7.78518 8.60738 5.37439 5.76412 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.07614 5.44272 7.73753 10.9354 8.14512 5.98039 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 9.21258 14.1737 7.73753 10.749 8.14512 5.98039 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.58357 8.38595 6.48394 8.70071 6.79423 3.93249 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 9.22903 10.6882 7.67463 5.81844 4.18248 7.59896 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.36025 8.59326 6.34004 4.21801 4.91212 5.39108 numMergedOcc 0
7 mol 111 unq 1 iso 0 dist 7.36025 8.59326 6.34004 10.0002 9.34782 13.201 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 9.80185 8.52311 8.56285 14.6304 4.88514 11.8161 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.43587 9.68029 7.70581 4.45608 5.60448 8.99049 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.60788 9.7375 8.93352 13.5754 4.68722 13.336 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 9.60788 9.7375 8.93352 13.2754 5.18325 11.2435 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 5.39865 4.04974 5.44351 9.02593 7.85841 5.14008 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 5.0346 4.04974 6.34051 9.02593 9.20109 5.14008 numMergedOcc 0
14 mol 260 unq 0 iso 0 dist 8.43724 10.9239 9.68243 13.0517 7.04263 7.79959 numMergedOcc 0
15 mol 260 unq 1 iso 0 dist 8.43724 10.9239 9.68243 5.75061 6.48099 9.44591 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 7.66814 10.7413 7.24165 6.83135 7.80711 13.7573 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 7.66814 10.7413 7.24165 13.3286 9.9965 10.0357 numMergedOcc 0
18 mol 283 unq 0 iso 0 dist 8.91437 12.1217 9.90494 9.02852 7.31132 12.6476 numMergedOcc 0
19 mol 283 unq 1 iso 0 dist 8.91437 10.9468 5.90121 9.02852 7.31132 3.31521 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 8.2474 4.64427 8.82497 9.61671 5.6964 8.65336 numMergedOcc 0
