0 mol 7 unq 0 iso 0 dist 9.85726 11.5784 9.60499 5.25379 6.7985 6.55304 5.03532 6.44736 12.2869 6.14349 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 9.85726 11.5784 9.60499 5.03532 6.44736 12.2869 5.25379 6.7985 6.55304 6.14349 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 13.0288 8.44664 10.971 14.1496 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 14.9821 8.60554 8.52463 14.1496 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 18.8056 9.44691 13.4893 9.62033 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 14.9821 8.60554 8.52463 9.62033 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 13.0288 8.44664 10.971 18.8056 9.44691 13.4893 10.4263 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 13.0288 8.44664 10.971 10.4263 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 13.0288 8.44664 5.30734 14.1496 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 9.90845 9.89489 8.38394 13.0288 8.44664 5.30734 14.9821 8.60554 12.3994 14.1496 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 18.8056 9.44691 12.505 9.62033 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 14.9821 8.60554 12.3994 9.62033 numMergedOcc 0
12 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 13.0288 8.44664 5.30734 18.8056 9.44691 12.505 10.4263 numMergedOcc 0
13 mol 24 unq 3 iso 1 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 13.0288 8.44664 5.30734 10.4263 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 9.52463 6.95572 9.50382 6.07224 7.38677 12.7565 6.36037 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 4.98104 10.7572 7.4729 6.07224 7.38677 12.7565 9.52463 6.95572 9.50382 6.36037 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 4.98104 5.50764 6.82344 9.52463 6.95572 7.56363 6.07224 7.38677 5.91004 6.36037 numMergedOcc 0
17 mol 92 unq 1 iso 1 dist 4.98104 5.50764 6.82344 6.07224 7.38677 5.91004 9.52463 6.95572 7.56363 6.36037 numMergedOcc 0
18 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 6.34278 9.23858 9.89358 12.3703 numMergedOcc 0
19 mol 119 unq 0 iso 1 dist 9.42766 14.0677 8.73993 6.34278 9.23858 9.89358 13.1831 6.52773 7.20179 12.3703 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 8.33083 12.4383 8.37808 10.4589 8.88537 5.0355 7.09391 9.23819 7.39059 5.03547 numMergedOcc 0
21 mol 122 unq 0 iso 1 dist 8.33083 12.4383 8.37808 7.09391 9.23819 7.39059 10.4589 8.88537 5.0355 5.03547 numMergedOcc 0
22 mol 125 unq 0 iso 0 dist 8.84867 5.41246 8.62381 11.7281 7.73435 7.43922 14.8614 9.3778 11.0769 4.38093 numMergedOcc 0
23 mol 125 unq 0 iso 1 dist 8.84867 5.41246 8.62381 14.8614 9.3778 11.0769 11.7281 7.73435 7.43922 4.38093 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 13.6005 9.25558 5.09131 14.5627 numMergedOcc 0
25 mol 131 unq 0 iso 1 dist 8.97145 14.257 6.85062 13.6005 9.25558 5.09131 4.17212 8.70296 14.2045 14.5627 numMergedOcc 0
26 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 5.55307 9.25558 5.09131 14.5627 numMergedOcc 0
27 mol 131 unq 1 iso 1 dist 6.5874 7.60371 6.85062 5.55307 9.25558 5.09131 9.64263 8.70296 14.2045 14.5627 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 6.70394 6.46704 4.43096 11.2787 6.59025 8.04639 9.87773 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 7.44191 9.60754 8.03334 11.2787 6.59025 8.04639 6.70394 6.46704 4.43096 9.87773 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 6.00053 11.1879 8.03334 10.8517 6.46704 4.43096 5.87168 6.59025 8.04639 9.87773 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 6.00053 11.1879 8.03334 5.87168 6.59025 8.04639 10.8517 6.46704 4.43096 9.87773 numMergedOcc 0
32 mol 197 unq 0 iso 0 dist 8.64255 11.8861 8.56633 4.91904 7.50013 8.46623 7.59634 5.81233 10.7305 5.33623 numMergedOcc 0
33 mol 197 unq 0 iso 1 dist 8.64255 11.8861 8.56633 7.59634 5.81233 10.7305 4.91904 7.50013 8.46623 5.33623 numMergedOcc 0
34 mol 197 unq 1 iso 0 dist 8.64255 11.8861 8.56633 4.91904 7.50013 8.46623 10.3181 6.92924 5.41996 9.20574 numMergedOcc 0
35 mol 197 unq 1 iso 1 dist 8.64255 11.8861 8.56633 10.3181 6.92924 5.41996 4.91904 7.50013 8.46623 9.20574 numMergedOcc 0
36 mol 197 unq 2 iso 0 dist 8.64255 11.8861 8.56633 4.91904 7.50013 8.46623 14.2718 7.14306 6.64537 10.8407 numMergedOcc 0
37 mol 197 unq 2 iso 1 dist 8.64255 11.8861 8.56633 14.2718 7.14306 6.64537 4.91904 7.50013 8.46623 10.8407 numMergedOcc 0
38 mol 197 unq 1 iso 0 dist 8.64255 11.8861 8.56633 7.59634 5.81233 10.7305 10.3181 6.92924 5.41996 11.2132 numMergedOcc 0
39 mol 197 unq 1 iso 1 dist 8.64255 11.8861 8.56633 10.3181 6.92924 5.41996 7.59634 5.81233 10.7305 11.2132 numMergedOcc 0
40 mol 197 unq 2 iso 0 dist 8.64255 11.8861 8.56633 7.59634 5.81233 10.7305 14.2718 7.14306 6.64537 9.56047 numMergedOcc 0
41 mol 197 unq 2 iso 1 dist 8.64255 11.8861 8.56633 14.2718 7.14306 6.64537 7.59634 5.81233 10.7305 9.56047 numMergedOcc 0
42 mol 197 unq 2 iso 0 dist 8.64255 11.8861 8.56633 10.3181 6.92924 5.41996 14.2718 7.14306 6.64537 8.81358 numMergedOcc 0
43 mol 197 unq 2 iso 1 dist 8.64255 11.8861 8.56633 14.2718 7.14306 6.64537 10.3181 6.92924 5.41996 8.81358 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 9.17826 16.2594 9.34734 16.3489 7.43071 6.00424 5.75236 5.41321 10.7656 11.362 numMergedOcc 0
45 mol 227 unq 0 iso 1 dist 9.17826 16.2594 9.34734 5.75236 5.41321 10.7656 16.3489 7.43071 6.00424 11.362 numMergedOcc 0
46 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 16.3489 7.43071 6.35849 5.75236 5.41321 10.9607 11.362 numMergedOcc 0
47 mol 227 unq 1 iso 1 dist 9.17826 14.9329 7.22101 5.75236 5.41321 10.9607 16.3489 7.43071 6.35849 11.362 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 16.3489 7.43071 10.204 5.75236 5.41321 9.72615 11.362 numMergedOcc 0
49 mol 227 unq 2 iso 1 dist 9.17826 13.2783 8.65997 5.75236 5.41321 9.72615 16.3489 7.43071 10.204 11.362 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 9.17826 10.6504 7.56888 16.3489 7.43071 9.76735 5.75236 5.41321 5.10635 11.362 numMergedOcc 0
51 mol 227 unq 3 iso 1 dist 9.17826 10.6504 7.56888 5.75236 5.41321 5.10635 16.3489 7.43071 9.76735 11.362 numMergedOcc 0
52 mol 227 unq 4 iso 0 dist 9.17826 11.4528 7.55216 16.3489 7.43071 9.32448 5.75236 5.41321 6.48027 11.362 numMergedOcc 0
53 mol 227 unq 4 iso 1 dist 9.17826 11.4528 7.55216 5.75236 5.41321 6.48027 16.3489 7.43071 9.32448 11.362 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 5.00515 5.16023 8.41436 6.63685 6.30154 7.44558 10.6768 7.32499 10.7902 10.0708 numMergedOcc 0
55 mol 234 unq 0 iso 1 dist 5.00515 5.16023 8.41436 10.6768 7.32499 10.7902 6.63685 6.30154 7.44558 10.0708 numMergedOcc 0
56 mol 234 unq 1 iso 0 dist 5.00515 10.2063 8.92474 6.63685 6.30154 10.9712 10.6768 7.32499 4.4288 10.0708 numMergedOcc 0
57 mol 234 unq 1 iso 1 dist 5.00515 10.2063 8.92474 10.6768 7.32499 4.4288 6.63685 6.30154 10.9712 10.0708 numMergedOcc 0
