0 mol 9 unq 0 iso 0 dist 9.78006 9.62394 7.28672 10.6533 6.20227 11.5992 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.86882 5.47982 14.465 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 8.70827 9.75636 7.6222 4.87192 13.7395 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 7.6222 4.87192 10.0903 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.24958 9.12854 9.75636 11.7026 4.87192 13.7395 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 5.81959 8.6653 6.61233 5.52519 5.44124 9.86311 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 6.90155 6.16347 11.0508 7.19007 5.44124 12.0231 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 6.90155 7.92503 6.61233 7.19007 5.44124 9.86311 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 6.77886 7.16773 8.25666 9.56076 9.53772 14.0648 numMergedOcc 0
9 mol 56 unq 1 iso 0 dist 6.77886 7.16773 8.25666 11.2895 7.3576 11.6481 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 5.44942 9.93806 11.2646 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.99857 9.11344 6.96805 4.55137 8.81779 7.84768 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.56342 6.52773 6.96805 6.42493 8.81779 7.84768 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.56342 9.23858 13.3975 6.42493 8.81779 15.5695 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 6.98934 8.99399 8.28905 8.87718 8.3642 13.5999 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 6.98934 8.99399 8.28905 4.72999 4.31261 10.7404 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 7.99623 8.99399 4.99495 4.72999 7.7186 10.7404 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 9.74542 9.91993 7.23332 6.55924 6.49708 9.87021 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 9.74542 6.22055 7.89336 6.55924 6.49708 7.34023 numMergedOcc 0
19 mol 150 unq 0 iso 0 dist 9.6606 9.96691 7.35366 6.62435 6.45018 9.96938 numMergedOcc 0
20 mol 150 unq 1 iso 0 dist 9.6606 6.14675 7.86976 6.62435 6.45018 7.35268 numMergedOcc 0
21 mol 150 unq 2 iso 0 dist 9.6606 9.24244 11.8012 6.62435 6.45018 11.1425 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 7.25742 9.17787 10.3427 7.44124 8.02691 15.7456 numMergedOcc 0
23 mol 159 unq 1 iso 0 dist 7.25742 8.4858 7.97232 7.44124 8.02691 12.2962 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 8.38738 9.07943 8.55624 10.1139 7.27002 15.0453 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.62666 7.75632 6.73995 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 7.71426 8.1344 5.90358 8.62666 7.75632 9.84348 numMergedOcc 0
27 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 11.8746 7.75632 6.73995 numMergedOcc 0
28 mol 171 unq 3 iso 0 dist 5.10618 6.71356 5.90358 11.8746 7.75632 9.84348 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 11.1912 7.39369 10.4112 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 8.83356 8.29382 12.361 9.99597 7.39369 16.9566 numMergedOcc 0
31 mol 194 unq 2 iso 0 dist 8.83356 6.72379 7.50057 9.99597 7.39369 12.8521 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 5.60393 5.44002 8.46033 9.41884 6.61806 12.354 numMergedOcc 0
33 mol 205 unq 1 iso 0 dist 5.60393 5.44002 8.46033 12.3578 7.85966 16.0279 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 5.37446 7.10826 7.1777 7.09658 9.40123 9.69053 numMergedOcc 0
35 mol 240 unq 0 iso 0 dist 9.47583 6.68687 15.5587 11.6095 7.35934 16.4042 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.70815 7.21311 8.10604 9.34197 8.65191 15.2423 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 7.67245 6.62841 13.537 7.0588 7.92718 12.8512 numMergedOcc 0
