0 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 9.51458 13.4082 8.70133 11.2253 13.8696 5.11416 7.10439 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.9127 13.4082 8.70133 14.5478 13.8696 5.11416 7.10439 numMergedOcc 0
2 mol 73 unq 2 iso 0 dist 6.89722 10.4716 9.96396 6.4154 7.41074 8.70133 11.5412 9.24757 5.11416 7.10439 numMergedOcc 0
3 mol 73 unq 3 iso 0 dist 6.89722 5.2774 6.19304 6.4154 7.41074 4.65521 11.5412 9.24757 6.56633 7.10439 numMergedOcc 0
4 mol 73 unq 4 iso 0 dist 7.26679 8.31041 9.96396 9.51458 7.41074 8.70133 11.2253 9.24757 5.11416 7.10439 numMergedOcc 0
5 mol 73 unq 5 iso 0 dist 7.26679 5.44275 6.19304 9.51458 7.41074 4.65521 11.2253 9.24757 6.56633 7.10439 numMergedOcc 0
6 mol 73 unq 6 iso 0 dist 9.30776 8.31041 9.75218 9.51458 15.9882 8.70133 11.2253 13.0145 5.11416 7.10439 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 4.98104 10.7572 7.4729 11.3299 6.99832 5.81965 12.4008 10.5753 8.55834 7.1539 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 4.98104 10.7572 7.4729 11.3299 6.99832 5.81965 9.52463 6.95572 9.50382 5.39745 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 12.4008 10.5753 7.76866 7.1539 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 4.98104 5.50764 6.82344 11.3299 6.99832 9.70512 9.52463 6.95572 7.56363 5.39745 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.42766 14.0677 8.73993 19.0836 10.6679 9.63176 26.2343 17.9198 15.5019 7.26955 numMergedOcc 0
12 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 4.43093 6.30546 6.0268 7.36017 numMergedOcc 0
13 mol 126 unq 1 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 10.6362 10.0699 8.01268 5.14819 numMergedOcc 0
14 mol 126 unq 2 iso 0 dist 9.06961 9.07346 6.06638 11.7153 7.01257 7.75534 14.8102 12.8712 10.2072 6.84245 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.16591 9.27577 9.83699 8.57453 4.53931 6.27641 11.3928 10.3379 5.4555 5.81122 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 8.34104 6.43754 8.17891 5.75236 5.41321 10.9607 7.57454 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 9.17826 13.2783 8.65997 8.34104 6.43754 6.95902 5.75236 5.41321 9.72615 7.57454 numMergedOcc 0
18 mol 227 unq 2 iso 0 dist 9.17826 11.4528 7.55216 17.5201 11.662 8.83563 18.0436 13.0798 6.67321 9.28891 numMergedOcc 0
19 mol 227 unq 3 iso 0 dist 9.64299 7.69739 7.09863 14.2244 9.13836 8.17891 17.6816 9.74265 10.9607 7.57454 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 5.89084 6.16697 9.45496 14.0153 15.9563 9.5707 16.0222 17.6227 10.0059 7.43663 numMergedOcc 0
21 mol 234 unq 1 iso 0 dist 8.47009 6.16697 6.7625 14.0153 14.4106 9.5707 16.0222 12.6238 10.0059 7.43663 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 7.93997 14.8465 7.46176 9.27954 5.79468 7.48005 10.9643 7.08526 8.81835 8.71497 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 6.75305 10.0289 6.24356 9.67417 5.12409 9.0012 6.28052 5.93616 7.52936 5.91213 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 6.75305 10.0289 6.24356 13.3898 9.67998 9.5784 6.28052 5.93616 7.52936 7.34094 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 5.67266 9.63727 8.04483 10.0733 6.3384 6.85028 10.8394 10.6906 7.80785 6.8972 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 5.67266 5.04235 6.33524 10.0733 6.3384 7.32347 10.8394 10.6906 6.6348 6.8972 numMergedOcc 0
27 mol 282 unq 2 iso 0 dist 5.80981 9.60898 8.04483 11.4393 6.3384 6.85028 14.5783 10.6906 7.80785 6.8972 numMergedOcc 0
28 mol 282 unq 3 iso 0 dist 5.80981 8.37652 6.33524 11.4393 6.3384 7.32347 14.5783 10.6906 6.6348 6.8972 numMergedOcc 0
29 mol 282 unq 4 iso 0 dist 9.63346 4.85461 8.04483 5.2527 6.3384 6.85028 8.03458 10.6906 7.80785 6.8972 numMergedOcc 0
30 mol 282 unq 5 iso 0 dist 9.63346 8.85797 6.33524 5.2527 6.3384 7.32347 8.03458 10.6906 6.6348 6.8972 numMergedOcc 0
