0 mol 12 unq 0 iso 0 dist 5.9021 6.6051 4.86727 8.17618 7.58748 6.67154 11.1357 11.4552 8.18139 14.3876 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.98466 6.6051 10.763 8.17618 6.89226 6.67154 11.1357 16.0264 8.18139 14.3876 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 8.37503 6.40527 11.4088 4.5844 11.5125 7.13565 12.3291 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.43688 8.37901 3.80563 5.66319 9.42379 7.83082 7.11991 7.73662 6.72365 10.0077 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 12.665 16.7433 7.34325 17.2512 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.36915 9.53081 13.2937 5.36645 8.03277 12.299 14.1985 18.0898 6.42037 18.1122 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 12.665 8.94842 7.34325 17.2512 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 6.01454 9.53081 5.41488 5.36645 9.26483 12.299 14.1985 9.9555 6.42037 18.1122 numMergedOcc 0
8 mol 64 unq 0 iso 0 dist 6.08228 5.66803 5.88036 5.54343 5.33496 5.9853 7.91421 8.13162 7.11238 11.4345 numMergedOcc 0
9 mol 64 unq 1 iso 0 dist 9.86958 8.85416 5.88036 9.99634 10.8691 6.43864 5.48409 8.13162 7.11238 11.38 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 9.6874 6.54778 4.84565 5.97879 8.15877 5.0333 5.33859 12.707 8.40389 5.7144 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.98151 5.83719 8.21735 6.65963 5.38 4.98711 7.4454 15.3549 9.35701 10.9428 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 8.98151 5.83719 8.21735 8.62711 6.75619 11.2447 7.4454 15.3549 9.35701 14.0031 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.60912 9.9368 13.4546 8.55431 8.50143 7.18851 15.7186 19.6156 9.45909 11.6709 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.02662 6.72718 6.12748 6.99623 6.3719 5.25279 13.4486 13.507 8.09915 9.3498 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 7.57716 6.50756 8.34243 9.85951 9.86723 5.55687 4.606 11.5277 9.5745 11.6279 numMergedOcc 0
16 mol 220 unq 1 iso 0 dist 8.98362 6.50756 5.82963 9.85951 6.80494 5.55687 4.606 9.21416 9.5745 11.6279 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.29204 8.87456 8.36102 9.94212 18.385 17.7343 13.934 17.9562 9.94483 19.285 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 7.34316 8.16187 12.9895 13.934 17.9562 9.94483 20.5612 numMergedOcc 0
19 mol 223 unq 2 iso 0 dist 9.14789 8.87456 5.43913 9.94212 19.0281 17.7343 13.934 14.497 9.94483 19.285 numMergedOcc 0
20 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 7.34316 11.2364 12.9895 13.934 14.497 9.94483 20.5612 numMergedOcc 0
21 mol 223 unq 4 iso 0 dist 7.80764 8.87456 13.9763 9.94212 4.67731 17.7343 13.934 15.509 9.94483 19.285 numMergedOcc 0
22 mol 223 unq 5 iso 0 dist 7.80764 8.87456 13.9763 7.34316 11.4951 12.9895 13.934 15.509 9.94483 20.5612 numMergedOcc 0
23 mol 223 unq 6 iso 0 dist 5.75896 8.87456 13.8469 9.94212 7.19485 17.7343 13.934 19.0188 9.94483 19.285 numMergedOcc 0
24 mol 223 unq 7 iso 0 dist 5.75896 8.87456 13.8469 7.34316 5.18719 12.9895 13.934 19.0188 9.94483 20.5612 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 7.6402 7.74348 13.5224 9.96011 5.32878 13.0929 7.69003 12.4099 8.75172 14.8528 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.34832 8.48545 14.2079 9.27989 11.4465 13.3838 3.28983 6.64008 9.993 6.73665 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 6.47376 5.34376 4.51031 4.91802 8.9352 8.34313 6.35028 numMergedOcc 0
28 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 6.47376 5.86731 4.51031 4.91802 5.8845 8.34313 6.35028 numMergedOcc 0
