0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 13.8384 5.72491 5.99355 5.77374 5.70161 8.0166 10.0158 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 9.33944 6.22805 13.8384 5.72491 5.99355 8.57437 4.57188 9.32945 10.2615 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 9.33944 6.22805 13.8384 5.72491 5.99355 12.5174 6.09254 9.90117 9.80599 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.18305 7.53682 6.30194 11.4574 8.73253 14.8714 5.58346 5.2774 5.39171 13.0088 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.18305 7.53682 6.30194 11.4574 8.73253 14.8714 9.10386 5.44275 9.27355 10.5067 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.18305 7.53682 6.30194 11.4574 8.73253 14.8714 10.4391 8.0624 8.60363 14.8476 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 4.99966 4.36597 7.55805 5.71094 9.44561 8.4354 6.67575 6.35372 7.57822 8.21549 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 6.84906 8.729 7.79791 15.8105 9.60908 9.42175 16.7055 numMergedOcc 0
8 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 5.5367 6.20182 7.6506 15.7833 6.89489 8.98459 10.751 numMergedOcc 0
9 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 4.90755 9.94125 9.00245 19.3396 13.1346 9.82329 17.7873 numMergedOcc 0
10 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 10.8056 9.94125 9.00245 12.7444 13.1346 9.82329 17.7873 numMergedOcc 0
11 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 13.8234 9.94125 9.00245 14.7796 13.1346 9.82329 17.7873 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 5.87223 10.1355 7.87125 6.8255 6.29767 13.7645 14.4767 9.7586 9.26387 13.6617 numMergedOcc 0
13 mol 212 unq 1 iso 0 dist 5.87223 10.1355 7.87125 8.90296 8.74585 6.39716 14.4767 9.7586 9.26387 14.7241 numMergedOcc 0
14 mol 212 unq 2 iso 0 dist 8.062 7.5418 7.87125 11.009 6.29767 13.7645 7.73701 9.7586 9.26387 13.6617 numMergedOcc 0
15 mol 212 unq 3 iso 0 dist 8.062 7.5418 7.87125 12.2246 8.74585 6.39716 7.73701 9.7586 9.26387 14.7241 numMergedOcc 0
16 mol 212 unq 4 iso 0 dist 8.70011 11.1789 7.87125 8.66123 6.29767 13.7645 14.1474 9.7586 9.26387 13.6617 numMergedOcc 0
17 mol 212 unq 5 iso 0 dist 8.70011 11.1789 7.87125 12.2545 8.74585 6.39716 14.1474 9.7586 9.26387 14.7241 numMergedOcc 0
18 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 7.78418 5.77318 7.57247 12.3614 11.2438 8.36396 9.39295 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 5.89502 9.90493 8.07341 5.73565 7.77998 9.18036 15.7064 11.4733 9.58767 12.8625 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 7.15815 14.7487 8.07341 9.82329 7.77998 9.18036 17.0634 11.4733 9.58767 12.8625 numMergedOcc 0
21 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 3.67304 8.60026 13.4429 19.4867 11.544 9.70222 19.6488 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 6.83408 4.93509 6.80096 5.7394 6.42588 5.04055 9.8799 5.11257 7.61232 9.66538 numMergedOcc 0
23 mol 266 unq 0 iso 0 dist 8.59986 6.31111 7.72749 5.70666 7.71657 6.94588 13.2523 10.2159 9.58577 15.2536 numMergedOcc 0
