0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 14.1217 7.12508 6.1206 18.245 10.5461 13.2247 9.87885 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.8576 10.4545 8.41585 18.0394 12.8323 9.87885 18.3465 12.2333 13.2247 6.1206 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.99509 8.14351 5.73819 12.5916 4.96926 6.75943 15.1595 10.5523 8.13395 6.6263 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 15.1595 8.80331 12.5916 5.41726 6.6263 8.14351 6.20293 8.13395 6.75943 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.47617 8.14351 6.20293 12.5916 5.41726 6.75943 15.1595 8.80331 8.13395 6.6263 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 5.73331 8.14351 8.93915 12.5916 10.0383 6.75943 15.1595 14.7803 8.13395 6.6263 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 5.44426 3.9764 5.10496 4.70157 6.48948 9.51923 5.92242 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 5.44426 3.9764 5.10496 6.21302 6.10456 8.40073 5.2571 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 4.31067 9.04817 5.08437 5.44426 3.9764 5.10496 11.2075 10.1136 10.2427 8.7497 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 4.31067 4.70157 6.48948 5.44426 3.9764 5.92242 9.04817 5.08437 9.51923 5.10496 numMergedOcc 0
10 mol 98 unq 4 iso 0 dist 4.31067 4.70157 6.48948 5.44426 3.9764 5.92242 6.21302 6.10456 9.42358 5.2571 numMergedOcc 0
11 mol 98 unq 5 iso 0 dist 4.31067 4.70157 6.48948 5.44426 3.9764 5.92242 11.2075 10.1136 13.9786 8.7497 numMergedOcc 0
12 mol 98 unq 6 iso 0 dist 4.31067 6.21302 6.10456 10.877 10.4782 7.54889 15.3379 17.4071 13.659 9.64383 numMergedOcc 0
13 mol 98 unq 7 iso 0 dist 4.31067 6.21302 6.10456 10.877 10.4782 7.54889 11.2075 10.1136 5.02887 7.78931 numMergedOcc 0
14 mol 98 unq 8 iso 0 dist 4.31067 6.21302 6.10456 5.44426 3.9764 5.2571 9.04817 5.08437 8.40073 5.10496 numMergedOcc 0
15 mol 98 unq 9 iso 0 dist 4.31067 6.21302 6.10456 5.44426 3.9764 5.2571 4.70157 6.48948 9.42358 5.92242 numMergedOcc 0
16 mol 98 unq 10 iso 0 dist 4.31067 6.21302 6.10456 5.44426 3.9764 5.2571 11.2075 10.1136 5.02887 8.7497 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 5.11612 10.3475 9.33865 9.21978 6.63111 6.39384 6.86762 5.83991 7.69052 9.42082 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 5.11612 6.86762 5.83991 9.21978 6.63111 9.42082 10.3475 9.33865 7.69052 6.39384 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 12.8022 4.94983 6.70693 14.8573 10.399 7.65448 6.59889 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 12.8022 5.39112 6.59889 8.41711 6.70283 7.65448 6.70693 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 9.0847 8.41711 6.70283 12.8022 5.39112 6.70693 14.8573 8.56324 7.65448 6.59889 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 6.00061 8.41711 8.67331 12.8022 9.67475 6.70693 14.8573 14.1618 7.65448 6.59889 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 14.976 5.93724 9.01624 18.5712 9.11469 11.5866 5.05973 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 18.8712 12.9532 9.76212 16.7212 9.94371 6.01247 8.59874 numMergedOcc 0
25 mol 181 unq 2 iso 0 dist 6.43406 10.9813 7.81386 9.45579 5.71898 9.01624 10.7307 9.81747 11.5866 5.05973 numMergedOcc 0
26 mol 181 unq 3 iso 0 dist 8.80581 10.209 7.63312 11.369 5.93724 9.01624 10.3296 9.11469 11.5866 5.05973 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.47457 5.15333 6.65832 11.4433 5.76843 6.99769 8.1404 6.60589 6.77699 8.79428 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.47457 5.15333 6.65832 11.4433 5.76843 6.99769 15.1783 9.16166 11.328 6.8692 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 8.47457 8.1404 6.60589 11.4433 5.76843 8.79428 5.15333 6.65832 6.77699 6.99769 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 8.47457 8.1404 6.60589 11.4433 5.76843 8.79428 15.1783 9.16166 8.49799 6.8692 numMergedOcc 0
31 mol 224 unq 4 iso 0 dist 8.47457 15.1783 9.16166 11.4433 5.76843 6.8692 5.15333 6.65832 11.328 6.99769 numMergedOcc 0
32 mol 224 unq 5 iso 0 dist 8.47457 15.1783 9.16166 11.4433 5.76843 6.8692 8.1404 6.60589 8.49799 8.79428 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 7.17032 9.25445 9.45496 15.858 12.4252 7.81215 19.438 17.458 10.2693 5.64285 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 13.2221 10.3162 9.12776 21.232 19.5656 15.7907 9.72188 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 13.6039 12.2293 9.46361 10.3156 10.3935 6.96053 6.95511 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 13.6039 11.6988 9.46361 10.3156 7.46176 6.96053 6.95511 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 13.5375 10.067 5.85442 17.5358 12.0576 9.98105 6.9899 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 6.20344 10.3156 7.46176 13.6039 11.6988 6.95511 5.56656 7.88519 6.96053 9.46361 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 9.00498 5.7052 9.17653 9.93738 10.7813 8.29262 6.67602 13.4025 4.92077 9.19754 numMergedOcc 0
