0 mol 73 unq 0 iso 0 dist 9.78545 5.68726 6.18163 13.1304 8.14547 10.1289 numMergedOcc 0
1 mol 73 unq 1 iso 0 dist 9.97998 7.46882 6.18163 7.76917 8.14547 10.1289 numMergedOcc 0
2 mol 88 unq 0 iso 0 dist 9.4046 9.47957 5.60823 3.48087 9.27633 10.4138 numMergedOcc 0
3 mol 88 unq 1 iso 0 dist 9.4046 9.47957 5.60823 10.8263 7.59715 12.7072 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 5.74364 8.60026 10.1168 6.29901 7.80279 11.064 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 6.97361 8.52125 10.2399 7.0263 9.83944 14.2303 numMergedOcc 0
6 mol 102 unq 0 iso 0 dist 8.07962 9.54857 7.56811 10.0473 9.61193 15.01 numMergedOcc 0
7 mol 102 unq 1 iso 0 dist 7.58908 9.32058 7.56811 7.08749 9.61193 15.01 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 6.53806 8.47335 5.33649 6.57748 7.24503 12.0795 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 9.92635 5.83335 14.4206 5.27311 8.58178 10.4799 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 9.92635 5.83335 14.4206 6.58331 4.77438 12.1223 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 9.92635 5.83335 14.4206 12.5326 5.73344 18.0414 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 7.85507 9.86506 15.9375 3.84394 8.58178 12.7453 numMergedOcc 0
13 mol 183 unq 4 iso 0 dist 7.85507 9.86506 15.9375 5.46887 4.77438 15.2029 numMergedOcc 0
14 mol 183 unq 5 iso 0 dist 7.85507 9.86506 15.9375 11.1336 5.73344 20.3702 numMergedOcc 0
15 mol 183 unq 6 iso 0 dist 7.85507 7.86724 14.4206 3.84394 8.58178 10.4799 numMergedOcc 0
16 mol 183 unq 7 iso 0 dist 7.85507 7.86724 14.4206 5.46887 4.77438 12.1223 numMergedOcc 0
17 mol 183 unq 8 iso 0 dist 7.85507 7.86724 14.4206 11.1336 5.73344 18.0414 numMergedOcc 0
18 mol 197 unq 0 iso 0 dist 5.79753 8.47576 5.42954 3.70636 7.06868 11.2293 numMergedOcc 0
19 mol 197 unq 1 iso 0 dist 7.56537 9.89975 7.28269 8.82321 7.06868 13.0452 numMergedOcc 0
20 mol 199 unq 0 iso 0 dist 8.22146 7.16849 8.95041 3.78464 7.49503 9.2815 numMergedOcc 0
21 mol 199 unq 1 iso 0 dist 7.16849 8.22146 8.95041 3.78464 9.2815 7.49503 numMergedOcc 0
22 mol 205 unq 0 iso 0 dist 9.32657 6.21409 6.26321 15.4907 9.88692 14.5616 numMergedOcc 0
23 mol 205 unq 1 iso 0 dist 9.32657 6.21409 6.26321 11.6653 9.38368 9.29298 numMergedOcc 0
24 mol 205 unq 2 iso 0 dist 6.21409 9.32657 6.26321 11.6653 9.29298 9.38368 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 8.20243 9.91921 4.85921 12.314 9.91332 12.5278 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 7.97113 5.22111 4.70261 9.58753 8.75224 10.8735 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.38479 8.53598 4.70261 6.78897 8.75224 10.8735 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 8.01368 7.10723 9.14734 3.65986 8.9318 9.76588 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 9.86356 6.42303 12.1381 12.5696 7.75936 14.5805 numMergedOcc 0
