0 mol 4 unq 0 iso 0 dist 7.2062 5.30385 6.49727 6.97734 5.88145 5.39676 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 7.2062 9.77024 7.84775 6.97734 5.88145 12.9411 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.84552 8.3964 3.4435 5.65754 7.19357 9.63925 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 7.75449 8.90581 6.37795 7.88072 3.30907 5.6849 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.69374 6.8073 13.2875 7.49794 11.3226 13.357 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.69374 5.60663 9.44799 7.49794 11.3226 6.34854 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.22018 9.79863 13.3912 7.61377 9.23222 5.77803 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 8.31737 9.79863 12.1326 7.61377 13.7476 5.77803 numMergedOcc 0
8 mol 63 unq 0 iso 0 dist 9.25631 5.55574 12.2845 6.89855 5.98039 7.1742 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 8.96872 8.83135 6.64001 9.43839 11.4354 5.22259 numMergedOcc 0
10 mol 91 unq 0 iso 0 dist 9.00799 6.93893 11.0296 8.91998 4.52107 12.8723 numMergedOcc 0
11 mol 91 unq 1 iso 0 dist 6.29207 6.93893 6.59567 8.91998 13.7851 12.8723 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 6.54326 7.31426 11.8731 6.34669 10.1153 3.77771 numMergedOcc 0
13 mol 93 unq 0 iso 0 dist 8.70907 7.13064 5.39918 8.55758 9.96742 5.64998 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 8.70907 7.13064 5.39918 7.44027 7.75947 4.76749 numMergedOcc 0
15 mol 93 unq 2 iso 0 dist 8.70907 7.8962 9.73503 8.55758 9.96742 4.34681 numMergedOcc 0
16 mol 93 unq 3 iso 0 dist 8.70907 7.8962 9.73503 7.44027 7.75947 5.73248 numMergedOcc 0
17 mol 120 unq 0 iso 0 dist 8.03269 5.12002 5.44186 7.06763 8.94045 4.26413 numMergedOcc 0
18 mol 120 unq 1 iso 0 dist 8.03269 8.46914 9.64456 7.06763 8.94045 3.64386 numMergedOcc 0
19 mol 120 unq 2 iso 0 dist 6.55349 5.12002 4.58032 7.06763 6.33005 4.26413 numMergedOcc 0
20 mol 120 unq 3 iso 0 dist 6.55349 8.46914 5.92549 7.06763 6.33005 3.64386 numMergedOcc 0
21 mol 123 unq 0 iso 0 dist 8.74958 9.04549 10.3077 8.40918 13.5444 5.09879 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 9.07685 8.07946 6.03833 9.27714 10.9272 11.5349 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 7.98503 9.31025 11.5377 9.88912 8.91488 6.17752 numMergedOcc 0
24 mol 162 unq 1 iso 0 dist 7.98503 9.31025 11.5377 9.46218 5.62563 15.8538 numMergedOcc 0
25 mol 162 unq 2 iso 0 dist 7.80955 9.31025 8.06906 9.88912 5.77936 6.17752 numMergedOcc 0
26 mol 162 unq 3 iso 0 dist 7.80955 9.31025 8.06906 9.46218 12.2501 15.8538 numMergedOcc 0
27 mol 162 unq 4 iso 0 dist 7.93307 9.31025 15.1574 9.88912 12.3926 6.17752 numMergedOcc 0
28 mol 162 unq 5 iso 0 dist 7.93307 9.31025 15.1574 9.46218 6.41455 15.8538 numMergedOcc 0
29 mol 165 unq 0 iso 0 dist 4.46402 5.79029 3.64317 9.98689 13.1897 11.7621 numMergedOcc 0
30 mol 165 unq 1 iso 0 dist 4.46402 5.79029 3.64317 5.93144 4.12949 6.57937 numMergedOcc 0
31 mol 174 unq 0 iso 0 dist 4.97597 5.07761 6.19344 8.46317 10.6576 8.95182 numMergedOcc 0
32 mol 184 unq 0 iso 0 dist 5.67457 4.88303 4.53585 8.5544 5.05833 8.00739 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 5.35691 7.37823 3.72014 5.5223 9.25882 11.5634 numMergedOcc 0
34 mol 192 unq 1 iso 0 dist 5.35691 7.37823 3.72014 8.00501 9.24369 12.3784 numMergedOcc 0
35 mol 198 unq 0 iso 0 dist 9.44266 8.28295 7.34963 7.94413 4.6846 4.73496 numMergedOcc 0
36 mol 230 unq 0 iso 0 dist 7.5725 8.85051 6.78617 8.01593 3.28958 6.2222 numMergedOcc 0
37 mol 280 unq 0 iso 0 dist 7.15389 9.38952 3.84243 7.00616 5.34867 8.71368 numMergedOcc 0
38 mol 284 unq 0 iso 0 dist 8.45942 4.87349 12.2307 8.2236 6.26735 9.94624 numMergedOcc 0
