0 mol 38 unq 0 iso 0 dist 8.19077 9.70612 12.0651 6.12182 7.50293 15.1366 6.12374 4.40004 10.622 7.26639 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 8.19077 6.46781 6.52757 6.12182 7.50293 10.3882 6.12374 4.40004 6.10572 7.26639 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.99509 8.47617 5.06502 8.14351 5.73819 6.20293 12.5916 4.96926 5.41726 6.75943 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.99509 5.73331 5.89973 8.14351 5.73819 8.93915 12.5916 4.96926 10.0383 6.75943 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.99509 8.48694 11.1644 8.14351 5.73819 14.0988 12.5916 4.96926 14.8209 6.75943 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.47617 8.99509 5.06502 15.1595 8.80331 10.5523 12.5916 5.41726 4.96926 6.6263 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 8.47617 8.99509 5.06502 8.14351 6.20293 5.73819 12.5916 5.41726 4.96926 6.75943 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 8.47617 5.73331 6.45462 15.1595 8.80331 14.7803 12.5916 5.41726 10.0383 6.6263 numMergedOcc 0
8 mol 43 unq 6 iso 0 dist 8.47617 5.73331 6.45462 8.14351 6.20293 8.93915 12.5916 5.41726 10.0383 6.75943 numMergedOcc 0
9 mol 43 unq 7 iso 0 dist 8.47617 8.48694 10.5986 15.1595 8.80331 19.375 12.5916 5.41726 14.8209 6.6263 numMergedOcc 0
10 mol 43 unq 8 iso 0 dist 8.47617 8.48694 10.5986 8.14351 6.20293 14.0988 12.5916 5.41726 14.8209 6.75943 numMergedOcc 0
11 mol 43 unq 9 iso 0 dist 5.73331 8.99509 5.89973 8.14351 8.93915 5.73819 12.5916 10.0383 4.96926 6.75943 numMergedOcc 0
12 mol 43 unq 10 iso 0 dist 5.73331 8.47617 6.45462 8.14351 8.93915 6.20293 12.5916 10.0383 5.41726 6.75943 numMergedOcc 0
13 mol 43 unq 11 iso 0 dist 5.73331 8.48694 5.46146 8.14351 8.93915 14.0988 12.5916 10.0383 14.8209 6.75943 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 17.8295 11.3215 10.6507 9.3948 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 11.0421 5.06946 4.90856 9.74607 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 8.29673 6.53153 6.761 9.35671 8.22656 10.0372 13.5739 6.9945 11.8451 7.22643 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 8.29673 6.29975 7.6656 9.35671 8.22656 13.4163 13.5739 6.9945 14.6139 7.22643 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.37459 9.0847 5.42328 8.41711 5.87555 6.70283 12.8022 4.94983 5.39112 6.70693 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 9.37459 6.00061 5.54906 8.41711 5.87555 8.67331 12.8022 4.94983 9.67475 6.70693 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 9.37459 8.33302 10.9968 8.41711 5.87555 13.8767 12.8022 4.94983 14.4949 6.70693 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 9.0847 9.37459 5.42328 14.8573 8.56324 10.399 12.8022 5.39112 4.94983 6.59889 numMergedOcc 0
22 mol 152 unq 4 iso 0 dist 9.0847 9.37459 5.42328 14.8573 8.56324 10.399 13.3531 4.84714 5.97582 8.9192 numMergedOcc 0
23 mol 152 unq 5 iso 0 dist 9.0847 9.37459 5.42328 8.41711 6.70283 5.87555 12.8022 5.39112 4.94983 6.70693 numMergedOcc 0
24 mol 152 unq 6 iso 0 dist 9.0847 6.00061 6.4896 14.8573 8.56324 14.1618 12.8022 5.39112 9.67475 6.59889 numMergedOcc 0
25 mol 152 unq 7 iso 0 dist 9.0847 6.00061 6.4896 14.8573 8.56324 14.1618 13.3531 4.84714 9.20746 8.9192 numMergedOcc 0
26 mol 152 unq 8 iso 0 dist 9.0847 6.00061 6.4896 8.41711 6.70283 8.67331 12.8022 5.39112 9.67475 6.70693 numMergedOcc 0
27 mol 152 unq 9 iso 0 dist 9.0847 8.33302 10.2431 14.8573 8.56324 18.6528 12.8022 5.39112 14.4949 6.59889 numMergedOcc 0
28 mol 152 unq 10 iso 0 dist 9.0847 8.33302 10.2431 14.8573 8.56324 18.6528 13.3531 4.84714 12.9842 8.9192 numMergedOcc 0
29 mol 152 unq 11 iso 0 dist 9.0847 8.33302 10.2431 8.41711 6.70283 13.8767 12.8022 5.39112 14.4949 6.70693 numMergedOcc 0
30 mol 152 unq 12 iso 0 dist 6.00061 9.37459 5.54906 8.41711 8.67331 5.87555 12.8022 9.67475 4.94983 6.70693 numMergedOcc 0
31 mol 152 unq 13 iso 0 dist 6.00061 9.0847 6.4896 8.41711 8.67331 6.70283 12.8022 9.67475 5.39112 6.70693 numMergedOcc 0
32 mol 152 unq 14 iso 0 dist 6.00061 8.33302 5.68553 8.41711 8.67331 13.8767 12.8022 9.67475 14.4949 6.70693 numMergedOcc 0
33 mol 178 unq 0 iso 0 dist 5.41229 8.57378 5.34677 4.51874 6.69288 6.43573 10.6504 8.44333 6.8202 9.11204 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 8.57378 5.41229 5.34677 4.51874 6.43573 6.69288 10.6504 6.8202 8.44333 9.11204 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.50454 7.15963 11.9017 11.755 7.63312 16.9324 12.2912 10.6474 18.6323 6.64173 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.50454 7.15963 11.9017 11.755 7.63312 16.9324 14.976 5.93724 17.5408 9.01624 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.50454 7.15963 11.9017 11.755 7.63312 16.9324 12.82 5.12833 15.5349 9.55105 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.15963 9.50454 11.9017 14.1493 9.1374 20.225 18.8712 12.9532 24.4978 9.76212 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 5.99187 8.39522 14.0328 5.87189 7.31233 11.101 13.2221 10.3162 20.1157 9.12776 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 5.99187 9.93378 6.85126 5.87189 7.31233 13.1583 13.2221 10.3162 16.6591 9.12776 numMergedOcc 0
41 mol 243 unq 0 iso 0 dist 8.69557 9.39147 10.2411 9.51148 8.23192 16.5593 8.8602 5.71505 11.8376 8.69318 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 5.29682 6.20344 4.69778 5.56656 8.13497 7.88519 13.6039 12.2293 11.6988 9.46361 numMergedOcc 0
43 mol 259 unq 1 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 13.6039 11.6988 12.2293 9.46361 numMergedOcc 0
44 mol 259 unq 2 iso 0 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 13.5375 10.067 11.4598 5.85442 numMergedOcc 0
45 mol 259 unq 3 iso 0 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 13.6039 11.6988 12.2293 6.95511 numMergedOcc 0
