0 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 5.99355 5.72491 5.44992 13.3926 12.2041 12.2333 7.88043 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.76292 6.56335 10.454 11.6025 5.5251 13.084 7.2668 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 6.76292 6.56335 6.70071 11.6025 5.5251 9.80614 7.2668 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 7.46752 8.02077 8.71745 6.76292 6.56335 4.50891 11.6025 5.5251 10.2909 7.2668 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 11.4946 10.6598 9.78944 7.48847 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 10.1953 5.03957 4.54938 6.92532 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 12.4687 12.3067 7.36323 9.24958 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 11.0381 12.3067 5.54419 4.93188 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 10.392 5.4148 9.96396 7.04044 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 5.67493 7.04044 15.7304 10.4766 5.4148 10.2049 8.73253 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 10.4766 5.4148 6.19304 8.73253 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 5.79954 9.65653 9.75218 5.67493 7.04044 8.35241 10.4766 5.4148 11.6369 8.73253 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 7.01889 7.9573 9.38498 11.2215 7.04044 15.7304 10.997 5.4148 10.2049 8.73253 numMergedOcc 0
13 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 10.997 5.4148 6.19304 8.73253 numMergedOcc 0
14 mol 73 unq 6 iso 0 dist 7.01889 8.11922 9.75218 11.2215 7.04044 8.35241 10.997 5.4148 11.6369 8.73253 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 5.51584 6.47042 10.0814 8.35164 4.8896 11.5121 6.78038 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 4.97043 7.20392 5.93488 11.44 10.1912 5.98885 6.51749 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 8.19136 7.20574 8.90184 11.5381 5.74635 8.87694 6.85302 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 6.86297 8.03427 8.87694 8.88762 6.85302 8.90184 10.7452 5.74635 7.54065 7.20574 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 6.86297 7.56632 9.09754 8.88762 6.85302 4.37002 10.7452 5.74635 10.7914 7.20574 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 8.0007 5.29674 9.87838 7.57247 5.77318 7.7339 12.776 7.0298 11.6115 8.92743 numMergedOcc 0
21 mol 229 unq 1 iso 0 dist 8.0007 5.29674 9.87838 7.57247 5.77318 7.7339 13.2481 5.5729 14.3118 8.08082 numMergedOcc 0
22 mol 229 unq 2 iso 0 dist 8.0007 5.29674 9.87838 7.57247 5.77318 7.7339 10.7479 9.96077 13.8823 8.19603 numMergedOcc 0
23 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 4.01898 6.17052 5.99459 11.4848 5.55137 7.21521 9.77666 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 11.517 7.99477 7.42673 13.7159 7.26417 6.60405 6.70815 numMergedOcc 0
25 mol 258 unq 1 iso 0 dist 7.9357 8.73372 6.42289 5.04382 7.86627 6.44209 5.79537 5.30627 10.1675 7.93574 numMergedOcc 0
26 mol 258 unq 2 iso 0 dist 8.81059 9.78068 6.42289 15.4617 7.99477 7.42673 14.0712 7.26417 6.60405 6.70815 numMergedOcc 0
27 mol 258 unq 3 iso 0 dist 8.81059 9.78068 6.42289 11.0527 7.86627 6.44209 9.12006 5.30627 10.1675 7.93574 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 11.2562 8.60026 6.04016 11.3146 7.00201 9.14619 5.26434 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 13.4429 8.60026 6.04016 13.063 7.00201 9.14619 5.26434 numMergedOcc 0
