0 mol 10 unq 0 iso 0 dist 7.99404 7.76098 9.1686 9.36515 8.26327 13.1127 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.99404 8.20812 8.99402 9.36515 8.26327 15.1761 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.99404 9.87224 7.3489 9.36515 8.26327 4.02014 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 11.0282 8.23606 7.37043 8.6578 12.6735 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.21423 6.5318 8.23606 6.36853 8.6578 12.6735 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.67403 8.24748 8.30431 14.3446 5.01022 10.8597 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 7.28917 14.4616 8.30431 4.91795 5.01022 10.8597 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.31624 6.15377 6.328 15.1994 7.95383 10.3777 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.68726 5.41551 6.328 12.2874 7.95383 10.3777 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 7.46882 5.54987 6.328 7.81776 7.95383 10.3777 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.9889 10.1806 7.57822 7.19943 8.21549 8.4354 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 6.67575 4.36597 7.57822 5.71094 8.21549 8.4354 numMergedOcc 0
12 mol 108 unq 0 iso 0 dist 5.52402 4.2179 9.32474 10.5684 7.96745 13.9693 numMergedOcc 0
13 mol 108 unq 1 iso 0 dist 5.52402 4.2179 9.32474 13.7981 9.71442 17.8549 numMergedOcc 0
14 mol 108 unq 2 iso 0 dist 5.52402 4.2179 9.32474 5.69391 8.99379 7.85562 numMergedOcc 0
15 mol 108 unq 3 iso 0 dist 6.79804 10.5919 9.32474 14.1381 7.96745 13.9693 numMergedOcc 0
16 mol 108 unq 4 iso 0 dist 6.79804 10.5919 9.32474 9.46026 9.71442 17.8549 numMergedOcc 0
17 mol 108 unq 5 iso 0 dist 6.79804 10.5919 9.32474 11.3762 8.99379 7.85562 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 9.12964 5.65554 9.18835 8.92383 9.975 12.7638 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 5.68599 5.57746 5.12189 5.57319 4.7699 8.23536 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 5.68599 5.8422 7.50911 5.57319 4.7699 3.94173 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 5.89907 12.2991 8.40442 7.48212 5.78631 5.24483 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 8.77869 15.3374 8.954 5.49559 7.34321 12.1377 numMergedOcc 0
23 mol 226 unq 0 iso 0 dist 8.10096 6.92911 7.20862 7.77366 5.01717 9.35555 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 8.74076 5.06139 6.23346 7.36529 5.51163 6.46721 numMergedOcc 0
25 mol 244 unq 0 iso 0 dist 6.06284 5.45847 6.51428 6.82312 7.09511 4.70754 numMergedOcc 0
26 mol 255 unq 0 iso 0 dist 8.22083 7.82713 6.25315 5.83964 9.62635 5.41656 numMergedOcc 0
27 mol 257 unq 0 iso 0 dist 9.02271 6.69682 8.98346 11.099 7.66693 13.0809 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 7.62562 10.4456 6.12202 13.1644 9.77134 6.35512 numMergedOcc 0
29 mol 279 unq 0 iso 0 dist 4.75866 12.8228 9.98985 4.49604 7.92537 13.4406 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 7.87072 8.51381 9.98985 12.3159 7.92537 13.4406 numMergedOcc 0
31 mol 280 unq 0 iso 0 dist 7.10723 9.13465 7.02503 5.04137 8.66271 9.96008 numMergedOcc 0
32 mol 280 unq 1 iso 0 dist 7.10723 14.2183 9.18164 5.04137 8.66271 13.7153 numMergedOcc 0
33 mol 280 unq 2 iso 0 dist 6.8664 7.59724 7.02503 6.84622 8.66271 9.96008 numMergedOcc 0
34 mol 280 unq 3 iso 0 dist 6.8664 7.88431 9.18164 6.84622 8.66271 13.7153 numMergedOcc 0
