0 mol 7 unq 0 iso 0 dist 7.5298 14.06 7.21217 12.1191 5.07985 6.1206 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 14.06 7.21217 11.8965 6.83196 7.67927 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.94874 5.77391 7.21217 8.36111 5.07985 6.1206 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.94874 5.77391 7.21217 5.99898 6.83196 7.67927 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 8.23618 10.1759 6.80741 19.1885 14.8094 9.2898 numMergedOcc 0
5 mol 60 unq 0 iso 0 dist 4.96897 6.96065 5.83937 14.1188 12.0661 7.57295 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 4.85152 11.1785 9.514 13.5321 12.7532 8.3773 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 5.24519 5.34484 7.70533 8.54233 6.66127 6.10127 numMergedOcc 0
8 mol 117 unq 1 iso 0 dist 8.30003 5.21051 9.85576 11.6159 12.4378 8.84018 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 9.44209 11.9943 8.33083 17.8898 12.2162 6.00603 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 5.1557 6.01403 7.57458 11.6845 9.23267 7.81207 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 5.1557 6.01403 7.57458 10.7274 13.4776 7.18002 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 9.5355 8.68855 7.57458 5.90339 9.23267 7.81207 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 9.5355 8.68855 7.57458 15.501 13.4776 7.18002 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.39634 9.72213 9.00898 18.3573 14.8552 9.63417 numMergedOcc 0
15 mol 207 unq 0 iso 0 dist 4.55528 4.4545 8.09522 8.25861 5.15938 9.98372 numMergedOcc 0
16 mol 207 unq 1 iso 0 dist 4.55528 4.4545 8.09522 8.5067 7.6274 9.1528 numMergedOcc 0
17 mol 207 unq 2 iso 0 dist 4.55528 5.62653 5.08312 8.01415 4.43093 5.12567 numMergedOcc 0
18 mol 207 unq 3 iso 0 dist 4.55528 5.62653 5.08312 8.25861 5.15938 6.0563 numMergedOcc 0
19 mol 207 unq 4 iso 0 dist 4.55528 5.62653 5.08312 8.5067 7.6274 8.1244 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 8.84278 8.28789 4.58599 15.2634 9.45322 8.22569 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 5.69733 5.68711 8.49704 6.91906 4.112 7.46481 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 7.10689 5.01062 8.7347 11.2674 15.1289 6.74196 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 7.10689 5.01062 8.7347 10.656 13.6078 8.36842 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 7.10689 5.01062 8.7347 12.4834 13.6261 9.75472 numMergedOcc 0
25 mol 224 unq 0 iso 0 dist 7.46044 13.1803 9.75313 5.88041 3.56689 8.08349 numMergedOcc 0
26 mol 224 unq 1 iso 0 dist 7.7163 10.8463 9.79616 11.6723 12.65 8.79428 numMergedOcc 0
27 mol 224 unq 2 iso 0 dist 9.2 5.44863 9.29703 11.6723 9.56183 6.8692 numMergedOcc 0
28 mol 224 unq 3 iso 0 dist 9.06201 13.0574 9.79616 16.5577 12.65 8.79428 numMergedOcc 0
29 mol 235 unq 0 iso 0 dist 7.52696 8.38435 7.2346 6.50932 5.39025 5.1823 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 7.52696 8.38435 7.2346 10.0621 4.3433 5.70635 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 5.65496 5.99362 5.36776 10.9698 11.9011 8.83833 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 9.16791 12.4673 6.77279 18.6568 9.90573 9.07743 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 9.16791 16.6792 9.58006 20.9679 12.7528 9.63573 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 9.16791 16.6792 9.58006 18.6568 9.90573 7.66153 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 7.24089 5.56999 6.00877 11.9385 15.2854 9.30212 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 7.24089 5.56999 6.00877 10.4698 5.9397 6.4611 numMergedOcc 0
37 mol 274 unq 2 iso 0 dist 9.29005 10.2696 6.00877 16.3008 15.2854 9.30212 numMergedOcc 0
38 mol 274 unq 3 iso 0 dist 9.29005 10.2696 6.00877 11.135 5.9397 6.4611 numMergedOcc 0
39 mol 274 unq 4 iso 0 dist 8.16746 10.2696 8.66451 16.3008 16.784 9.30212 numMergedOcc 0
40 mol 274 unq 5 iso 0 dist 8.16746 10.2696 8.66451 11.135 4.89003 6.4611 numMergedOcc 0
41 mol 276 unq 0 iso 0 dist 7.35537 9.58401 9.05218 7.70127 5.58312 8.6759 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.42812 17.0927 9.02914 22.0372 13.3706 5.46926 numMergedOcc 0
43 mol 277 unq 1 iso 0 dist 9.42812 17.0927 9.02914 21.1849 12.1739 5.13913 numMergedOcc 0
44 mol 277 unq 2 iso 0 dist 9.42812 16.2915 6.90434 14.0716 8.51268 9.35539 numMergedOcc 0
45 mol 277 unq 3 iso 0 dist 9.42812 16.2915 6.90434 22.0372 13.3706 8.9682 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 9.42812 16.2915 6.90434 21.1849 12.1739 6.92711 numMergedOcc 0
47 mol 277 unq 5 iso 0 dist 7.98871 7.0797 9.98528 15.2958 19.5312 9.57499 numMergedOcc 0
48 mol 280 unq 0 iso 0 dist 9.9227 5.80223 8.85762 6.16546 7.42656 6.86234 numMergedOcc 0
49 mol 284 unq 0 iso 0 dist 7.80784 6.535 8.42412 9.02411 6.34668 6.41303 numMergedOcc 0
