0 mol 12 unq 0 iso 0 dist 9.86138 8.09419 4.98378 7.41387 6.65398 9.20201 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 9.86138 8.09419 4.98378 13.1993 5.9021 10.5896 numMergedOcc 0
2 mol 12 unq 2 iso 0 dist 5.76006 7.86307 4.98378 6.5386 6.65398 9.20201 numMergedOcc 0
3 mol 12 unq 3 iso 0 dist 5.76006 7.86307 4.98378 5.77108 5.9021 10.5896 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 6.71884 6.32571 5.80038 4.13365 9.30367 8.37045 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 6.71884 6.32571 5.80038 12.3731 6.67079 12.1651 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 9.25575 6.49013 4.11996 18.5033 9.30367 12.7358 numMergedOcc 0
7 mol 55 unq 3 iso 0 dist 9.25575 6.49013 4.11996 6.59267 6.67079 7.01944 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 8.00221 8.73104 5.29079 13.2356 7.8986 13.1196 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 8.00221 8.73104 5.29079 9.65826 7.24183 11.9614 numMergedOcc 0
10 mol 64 unq 2 iso 0 dist 8.00221 9.31622 5.78769 13.2356 7.8986 11.4891 numMergedOcc 0
11 mol 64 unq 3 iso 0 dist 8.00221 9.31622 5.78769 9.65826 7.24183 8.64746 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 6.98876 6.18729 5.07584 6.70235 5.61016 9.35867 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 9.83976 7.59889 14.3113 5.14081 8.05043 10.1762 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 9.83634 7.63085 15.059 11.799 7.07348 17.8202 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.14413 6.94875 9.42795 12.3207 6.24111 15.2988 numMergedOcc 0
16 mol 210 unq 1 iso 0 dist 8.14413 6.94875 9.42795 12.2935 9.00343 17.1435 numMergedOcc 0
17 mol 210 unq 2 iso 0 dist 8.14413 6.94875 9.42795 9.89233 6.41444 11.6788 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.98518 5.02756 5.34316 9.07015 8.98362 9.49722 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 5.59164 9.13022 6.23871 4.63444 5.57184 6.40309 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 7.42888 8.20751 5.28906 5.83092 8.97411 6.73928 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 8.13376 5.68415 11.3446 15.4511 8.91916 15.8134 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.87939 6.41474 4.75686 5.26607 8.61786 5.45375 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 6.55208 8.91185 11.1728 7.94063 9.77392 16.741 numMergedOcc 0
24 mol 266 unq 2 iso 0 dist 6.55208 9.28273 15.2675 7.94063 9.77392 15.187 numMergedOcc 0
25 mol 266 unq 3 iso 0 dist 7.17562 7.98461 12.9915 11.4849 9.77392 18.7501 numMergedOcc 0
26 mol 266 unq 4 iso 0 dist 7.17562 5.60932 11.1728 11.4849 9.77392 16.741 numMergedOcc 0
27 mol 271 unq 0 iso 0 dist 8.98817 7.2452 6.39972 10.1974 8.07242 9.35549 numMergedOcc 0
