0 mol 13 unq 0 iso 0 dist 9.11704 5.88082 9.20106 7.10396 7.76514 8.67997 10.7665 4.64398 8.73304 11.2402 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.52643 7.59945 5.45684 13.3239 7.76644 5.8441 9.75299 4.78627 7.66372 9.99743 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.52643 13.3239 7.76644 7.59945 5.45684 5.8441 9.75299 4.78627 9.99743 7.66372 numMergedOcc 0
3 mol 64 unq 2 iso 0 dist 5.41357 5.65551 5.45684 9.81422 7.76644 5.8441 9.30042 4.78627 7.66372 9.99743 numMergedOcc 0
4 mol 64 unq 3 iso 0 dist 5.41357 9.81422 7.76644 5.65551 5.45684 5.8441 9.30042 4.78627 9.99743 7.66372 numMergedOcc 0
5 mol 64 unq 4 iso 0 dist 9.75299 7.59945 7.66372 13.3239 9.99743 5.8441 8.52643 4.78627 5.45684 7.76644 numMergedOcc 0
6 mol 64 unq 5 iso 0 dist 9.75299 13.3239 9.99743 7.59945 7.66372 5.8441 8.52643 4.78627 7.76644 5.45684 numMergedOcc 0
7 mol 64 unq 6 iso 0 dist 9.30042 5.65551 7.66372 9.81422 9.99743 5.8441 5.41357 4.78627 5.45684 7.76644 numMergedOcc 0
8 mol 64 unq 7 iso 0 dist 9.30042 9.81422 9.99743 5.65551 7.66372 5.8441 5.41357 4.78627 7.76644 5.45684 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 7.45777 10.345 6.85356 14.1204 7.32265 12.3241 11.8571 4.56026 6.7939 5.68894 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.45777 14.1204 7.32265 10.345 6.85356 12.3241 11.8571 4.56026 5.68894 6.7939 numMergedOcc 0
11 mol 99 unq 0 iso 0 dist 8.68674 8.61334 4.82346 12.2155 8.07233 4.8794 16.0978 9.73996 9.39801 6.02154 numMergedOcc 0
12 mol 99 unq 1 iso 0 dist 8.68674 8.61334 4.82346 12.2155 8.07233 4.8794 12.3208 4.41001 8.89165 11.2111 numMergedOcc 0
13 mol 99 unq 2 iso 0 dist 8.68674 12.2155 8.07233 8.61334 4.82346 4.8794 16.0978 9.73996 6.02154 9.39801 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 6.59407 8.59214 7.08934 7.46189 9.43135 6.25764 11.1626 4.82565 8.87346 13.17 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.6368 8.17619 8.08702 7.36665 9.984 10.3111 5.25149 11.0459 9.57625 12.5698 numMergedOcc 0
16 mol 223 unq 0 iso 0 dist 8.87456 4.68566 7.76053 11.1044 9.65728 7.55127 6.97426 4.71901 7.96628 12.8908 numMergedOcc 0
17 mol 261 unq 0 iso 0 dist 6.0437 6.29331 6.99444 6.8395 9.38192 10.4134 7.58385 5.29945 8.25759 13.3884 numMergedOcc 0
18 mol 261 unq 1 iso 0 dist 4.85199 6.40309 6.99444 5.03102 9.38192 10.4134 9.25991 5.29945 8.25759 13.3884 numMergedOcc 0
19 mol 261 unq 2 iso 0 dist 9.13604 5.91745 6.99444 9.37836 9.38192 10.4134 12.7905 5.29945 8.25759 13.3884 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 5.78262 7.01631 7.84151 7.05181 7.346 6.91672 14.2673 12.9925 7.85797 13.6755 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 11.2356 8.60638 8.5458 8.56533 numMergedOcc 0
22 mol 287 unq 1 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 15.1646 12.7579 8.47385 11.0668 numMergedOcc 0
23 mol 287 unq 2 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 19.7333 17.1913 8.44356 14.3617 numMergedOcc 0
24 mol 287 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 11.2356 8.60638 8.56533 8.5458 numMergedOcc 0
25 mol 287 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.9141 8.60638 9.30394 5.84467 numMergedOcc 0
26 mol 287 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.5378 4.9954 8.47385 11.0668 numMergedOcc 0
27 mol 287 unq 6 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 18.5652 12.5806 8.44356 14.3617 numMergedOcc 0
28 mol 287 unq 7 iso 0 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 10.9141 8.60638 5.84467 9.30394 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 11.2356 8.60638 8.5458 8.56533 numMergedOcc 0
30 mol 288 unq 1 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 15.1646 12.7579 8.47385 11.0668 numMergedOcc 0
31 mol 288 unq 2 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 19.7333 17.1913 8.44356 14.3617 numMergedOcc 0
32 mol 288 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 11.2356 8.60638 8.56533 8.5458 numMergedOcc 0
33 mol 288 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.9141 8.60638 9.30394 5.84467 numMergedOcc 0
34 mol 288 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.5378 4.9954 8.47385 11.0668 numMergedOcc 0
35 mol 288 unq 6 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 18.5652 12.5806 8.44356 14.3617 numMergedOcc 0
36 mol 288 unq 7 iso 0 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 10.9141 8.60638 5.84467 9.30394 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 11.2356 8.60638 8.5458 8.56533 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 15.1646 12.7579 8.47385 11.0668 numMergedOcc 0
39 mol 289 unq 2 iso 0 dist 5.15923 11.7624 9.30394 5.58788 5.84467 6.60063 19.7333 17.1913 8.44356 14.3617 numMergedOcc 0
40 mol 289 unq 3 iso 0 dist 5.15923 5.58788 5.84467 11.7624 9.30394 6.60063 11.2356 8.60638 8.56533 8.5458 numMergedOcc 0
41 mol 289 unq 4 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.9141 8.60638 9.30394 5.84467 numMergedOcc 0
42 mol 289 unq 5 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 10.5378 4.9954 8.47385 11.0668 numMergedOcc 0
43 mol 289 unq 6 iso 0 dist 7.14859 14.0575 8.5458 10.6005 8.56533 6.60063 18.5652 12.5806 8.44356 14.3617 numMergedOcc 0
44 mol 289 unq 7 iso 0 dist 7.14859 10.6005 8.56533 14.0575 8.5458 6.60063 10.9141 8.60638 5.84467 9.30394 numMergedOcc 0
