0 mol 7 unq 0 iso 0 dist 8.57437 17.7278 9.85726 11.4767 5.25379 6.7985 15.8072 10.4728 8.43473 6.14469 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 5.58346 4.69583 6.89722 9.54477 11.5412 9.24757 8.04207 12.5237 6.29906 8.87464 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.10386 4.69583 7.26679 9.54477 11.2253 9.24757 8.04207 13.0206 6.29906 8.87464 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.66744 8.59095 6.89722 17.7136 11.5412 9.24757 13.2546 12.5237 6.29906 8.87464 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 8.07962 8.58092 9.01767 15.1709 10.4216 8.31932 12.5604 12.9233 4.48396 8.88394 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 9.54857 8.58092 9.80678 15.1709 12.8733 8.31932 12.5604 11.9963 4.48396 8.88394 numMergedOcc 0
6 mol 102 unq 2 iso 0 dist 7.58908 12.5781 9.01767 17.3345 10.4216 8.31932 16.6227 12.9233 4.48396 8.88394 numMergedOcc 0
7 mol 102 unq 3 iso 0 dist 9.32058 12.5781 9.80678 17.3345 12.8733 8.31932 16.6227 11.9963 4.48396 8.88394 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 5.28955 10.7421 9.93703 8.75431 5.01597 8.99399 4.09788 6.13508 7.45148 7.20249 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.21256 13.46 6.11955 9.58772 4.7146 5.87634 8.9356 11.0798 14.8102 8.95662 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.3243 13.7612 6.11955 9.04845 4.7146 5.87634 6.26174 11.0798 14.8102 8.95662 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.95239 12.9605 6.11955 7.94325 4.7146 5.87634 5.53181 11.0798 14.8102 8.95662 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 6.23615 4.64588 6.11955 6.72323 4.7146 5.87634 14.5316 11.0798 14.8102 8.95662 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 4.96259 4.11061 6.00053 10.5689 10.8517 6.46704 10.453 12.5826 7.81713 7.32087 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 4.96259 4.11061 6.00053 6.95568 5.87168 6.59025 10.453 12.5826 7.81713 8.86197 numMergedOcc 0
15 mol 181 unq 2 iso 0 dist 4.96259 4.11061 6.00053 6.95568 5.87168 6.59025 3.97538 5.67112 7.16549 5.94379 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.10096 5.47434 9.5723 7.04477 7.93097 6.11704 11.378 10.7136 7.554 5.70795 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 6.71398 13.1002 9.71281 9.52022 6.18998 6.36341 15.6801 12.6417 5.5163 6.94789 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 8.03655 7.602 8.1498 11.0563 7.43256 6.71375 11.6914 13.7473 10.0732 8.984 numMergedOcc 0
19 mol 273 unq 0 iso 0 dist 8.78928 5.75973 8.90885 6.38341 5.06747 8.83865 7.55971 12.1498 12.0136 7.16346 numMergedOcc 0
20 mol 273 unq 1 iso 0 dist 8.78928 9.40198 9.96963 6.38341 5.06747 9.18157 7.55971 12.1498 12.1851 7.16346 numMergedOcc 0
21 mol 273 unq 2 iso 0 dist 9.12505 8.06201 7.89852 13.8636 5.62662 9.18157 17.7968 10.6456 12.1851 7.16346 numMergedOcc 0
