0 mol 15 unq 0 iso 0 dist 9.60736 11.4242 8.85174 9.94679 5.20798 6.42748 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 4.71964 6.44262 7.6114 13.1674 10.8122 8.6653 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.33273 5.27705 7.26268 12.0766 6.30042 7.99969 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 5.82829 5.44752 6.56212 9.68764 5.56986 8.08618 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.6359 11.4221 9.69044 6.02731 4.09232 7.56205 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 5.6359 4.05764 6.9103 6.02731 4.09232 4.74544 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.85892 11.4473 8.72682 17.3598 13.952 6.02816 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 6.53198 13.9402 8.80934 12.3935 7.1951 8.8822 numMergedOcc 0
8 mol 113 unq 1 iso 0 dist 6.53198 13.9402 8.80934 9.07597 3.84573 9.66219 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 9.24772 7.89844 9.76212 9.89987 6.39406 6.2479 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 9.24772 5.10258 8.59874 9.89987 6.39406 6.22122 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.09756 6.15341 6.61112 8.28099 4.03697 8.73217 numMergedOcc 0
12 mol 222 unq 0 iso 0 dist 9.06892 10.0163 6.74196 13.7414 4.67663 9.07471 numMergedOcc 0
13 mol 222 unq 1 iso 0 dist 8.54373 10.362 8.36842 12.1783 6.37382 9.07471 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 6.02146 11.8651 8.67156 9.89436 4.21383 8.76935 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 6.02146 11.8651 8.67156 12.9003 6.94795 8.47652 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 9.93282 5.69584 5.85442 9.98231 4.47425 7.08526 numMergedOcc 0
17 mol 259 unq 1 iso 0 dist 8.90555 6.00315 9.46361 9.98231 4.10176 7.98231 numMergedOcc 0
18 mol 259 unq 2 iso 0 dist 8.90555 5.69584 6.95511 9.98231 4.10176 7.08526 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 9.51394 6.89449 7.45616 14.1876 5.97664 9.65934 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 9.51394 6.89449 7.45616 14.1876 5.97664 9.65934 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 9.51394 6.89449 7.45616 14.1876 5.97664 9.65934 numMergedOcc 0
