0 mol 33 unq 0 iso 0 dist 8.87925 5.2034 9.00543 7.55858 7.00648 7.97051 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.50504 12.0885 9.70415 5.31827 8.76003 10.4362 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.49626 6.11663 7.63663 16.9284 7.92394 14.4842 numMergedOcc 0
3 mol 70 unq 1 iso 0 dist 9.49626 6.11663 7.63663 17.8674 9.93423 14.7467 numMergedOcc 0
4 mol 70 unq 2 iso 0 dist 9.49626 6.11663 7.63663 8.9375 9.34122 5.93792 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.43143 8.83086 6.68311 12.1059 6.77912 13.1473 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 5.48831 5.50284 6.7212 5.94737 7.321 5.00053 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 8.84131 8.38008 9.84673 6.87786 9.94856 7.6114 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.26438 15.3293 8.84523 10.7144 5.87358 5.38332 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 6.43255 13.8299 8.84523 9.77909 5.87358 5.38332 numMergedOcc 0
10 mol 109 unq 2 iso 0 dist 7.4389 10.1404 8.84523 8.77144 5.87358 5.38332 numMergedOcc 0
11 mol 109 unq 3 iso 0 dist 7.24527 10.1404 9.45397 8.77144 9.20981 5.38332 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.64107 7.29402 6.04412 10.0279 6.50039 5.97684 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 6.71293 5.87352 6.35314 11.045 6.83051 9.93612 numMergedOcc 0
14 mol 124 unq 1 iso 0 dist 6.71293 5.87352 6.35314 11.7813 9.28376 9.06209 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.84656 9.86688 7.27598 13.386 5.42582 7.26771 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 4.9155 9.86688 5.57904 13.386 8.6355 7.26771 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.49987 11.3888 5.57904 15.6111 8.6355 7.26771 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 9.42271 12.3347 5.57904 11.8215 8.6355 7.26771 numMergedOcc 0
19 mol 209 unq 0 iso 0 dist 5.92907 11.0219 6.14896 10.2593 7.95911 4.86181 numMergedOcc 0
20 mol 209 unq 1 iso 0 dist 5.92907 13.6092 9.12289 10.2593 7.95911 7.37293 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 8.95233 6.40811 8.2088 11.3848 9.50586 5.22669 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 8.95233 6.40811 8.2088 12.6102 7.13323 7.85937 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 8.14644 11.7698 6.21273 8.02272 6.84247 5.33649 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 8.14644 11.7698 6.21273 9.32762 6.99002 12.5011 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.88846 7.13239 8.5834 5.66378 7.18956 4.78647 numMergedOcc 0
26 mol 240 unq 0 iso 0 dist 7.6664 8.1239 9.68888 7.49446 6.15305 13.7594 numMergedOcc 0
27 mol 240 unq 1 iso 0 dist 7.6664 8.1239 9.68888 6.30896 8.0951 5.59975 numMergedOcc 0
28 mol 252 unq 0 iso 0 dist 6.17985 4.43412 7.93609 7.02444 7.66365 5.3935 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.80409 13.665 6.82526 9.66751 7.47164 5.74092 numMergedOcc 0
30 mol 265 unq 0 iso 0 dist 8.49415 12.9437 5.3051 9.3596 6.34034 6.10503 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 9.91518 15.3461 8.83775 7.70648 6.35287 9.59763 numMergedOcc 0
