0 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 5.97635 5.65405 5.59773 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.03472 8.39416 4.85152 15.5748 11.1785 9.514 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.03472 8.39416 4.85152 12.2317 10.9352 7.84888 numMergedOcc 0
3 mol 92 unq 2 iso 0 dist 9.40274 10.4946 4.85152 17.5033 11.1785 9.514 numMergedOcc 0
4 mol 92 unq 3 iso 0 dist 9.40274 10.4946 4.85152 14.8214 10.9352 7.84888 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.41491 11.1197 8.6728 10.3059 10.602 7.38759 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.85708 8.3896 5.24519 11.3462 5.34484 7.70533 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 4.69926 9.75051 8.26291 9.82534 5.25879 8.54461 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 4.69926 9.75051 8.26291 13.5125 10.9365 7.83619 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 7.46875 6.68239 5.50364 7.81337 5.29825 8.97145 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 7.46875 7.74794 8.7301 7.81337 5.29825 6.5874 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.43256 4.85698 8.39634 12.4136 9.72213 9.00898 numMergedOcc 0
12 mol 175 unq 1 iso 0 dist 8.14202 5.60933 8.39634 10.1817 9.72213 9.00898 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 7.98453 6.26853 4.55528 10.3876 4.4545 8.09522 numMergedOcc 0
14 mol 207 unq 1 iso 0 dist 7.98453 6.26853 4.55528 9.18896 5.62653 5.08312 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 9.76309 7.9703 7.15386 15.0683 7.03173 8.63308 numMergedOcc 0
16 mol 211 unq 1 iso 0 dist 6.42375 7.9703 7.73993 15.0683 11.6621 8.63308 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.71569 8.72971 5.69733 5.36829 5.68711 8.49704 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.18597 7.03513 7.99145 8.7511 5.841 9.17826 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 11.8177 6.33989 8.43766 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.21479 8.47021 4.46314 12.9453 5.20266 8.68464 numMergedOcc 0
21 mol 235 unq 0 iso 0 dist 8.52954 8.47815 7.52696 9.4144 8.38435 7.2346 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.75001 9.0972 6.32593 10.6346 6.53984 9.75174 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 6.75599 4.27675 6.32593 11.7348 6.53984 9.75174 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 9.87224 7.04644 4.21935 13.2218 4.77446 6.37342 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 6.41167 3.95075 6.59521 5.73834 5.13233 8.58088 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.8693 13.2785 8.05503 15.9155 10.9974 7.79904 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.8693 13.2785 8.05503 20.9061 16.897 9.02749 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 7.03782 5.66978 5.59151 9.09967 7.60191 7.79904 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 7.03782 5.66978 5.59151 8.49076 13.8866 9.02749 numMergedOcc 0
30 mol 274 unq 4 iso 0 dist 7.03782 10.88 8.17922 12.0329 10.374 7.80446 numMergedOcc 0
31 mol 274 unq 5 iso 0 dist 7.03782 10.88 8.17922 9.09967 7.60191 9.86142 numMergedOcc 0
32 mol 274 unq 6 iso 0 dist 9.04647 5.88732 7.24089 9.65265 5.56999 6.00877 numMergedOcc 0
33 mol 277 unq 0 iso 0 dist 7.91992 4.54209 9.42812 11.9961 10.7202 8.57532 numMergedOcc 0
34 mol 277 unq 1 iso 0 dist 7.91992 4.54209 9.42812 13.4262 17.0927 9.02914 numMergedOcc 0
35 mol 277 unq 2 iso 0 dist 7.91992 4.54209 9.42812 9.91594 16.2915 6.90434 numMergedOcc 0
36 mol 280 unq 0 iso 0 dist 4.26671 11.2544 9.9227 9.02427 5.80223 8.85762 numMergedOcc 0
