0 mol 7 unq 0 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 5.77374 5.70161 8.0166 12.2471 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 8.57437 4.57188 9.32945 10.2729 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 9.33944 6.22805 14.6665 7.10621 6.96396 12.5174 6.09254 9.90117 7.21217 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.13983 5.06934 8.91266 5.63648 6.38364 4.15151 9.42142 7.00835 7.66311 8.39221 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 6.45858 6.35274 8.91266 4.05028 6.38364 4.15151 10.2498 7.00835 7.66311 8.39221 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 5.41493 6.07784 4.68793 5.09229 6.19529 5.72331 13.8896 10.9806 8.28673 13.7715 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 7.12423 10.8401 9.06397 13.6102 9.0709 12.8917 6.50216 5.27155 7.95419 13.9156 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 4.96726 9.67592 9.73304 17.346 9.82646 9.3473 16.6744 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 8.99491 13.6507 8.66921 4.96726 9.67592 10.8918 17.346 9.82646 8.14932 16.6744 numMergedOcc 0
9 mol 64 unq 2 iso 0 dist 8.99491 13.6507 8.66921 4.96726 9.67592 10.8918 12.8981 5.33496 6.17846 11.6303 numMergedOcc 0
10 mol 64 unq 3 iso 0 dist 8.99491 7.89444 5.54343 4.96726 9.67592 5.59762 12.8981 5.33496 6.08228 11.6303 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 12.2228 8.04817 5.39171 11.905 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 14.5455 9.76331 9.27355 14.8258 numMergedOcc 0
13 mol 73 unq 2 iso 0 dist 8.2377 7.98579 4.24428 4.99283 5.93252 6.58444 12.578 10.4402 8.60363 14.0323 numMergedOcc 0
14 mol 73 unq 3 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 5.58346 5.2774 5.39171 6.89722 numMergedOcc 0
15 mol 73 unq 4 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 9.10386 5.44275 9.27355 7.26679 numMergedOcc 0
16 mol 73 unq 5 iso 0 dist 6.18305 7.53682 6.30194 4.69583 6.19304 10.5627 10.4391 8.0624 8.60363 10.1503 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 6.68714 9.60462 10.626 15.8105 9.60908 9.42175 14.3405 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 7.15985 9.87475 5.81552 6.71889 7.45389 5.27363 15.8105 9.60908 9.42175 13.2326 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 8.60326 9.30299 10.345 13.1077 6.75619 8.98151 12.4667 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 5.49877 7.43279 9.05626 3.96103 8.70949 7.09664 11.9351 9.97628 7.9663 12.0527 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.62103 14.9127 8.07523 3.84723 6.18308 13.3929 9.97171 5.82028 6.24111 9.67457 numMergedOcc 0
22 mol 210 unq 1 iso 0 dist 8.62103 14.9127 8.07523 3.84723 6.18308 13.3929 12.9116 4.62641 8.60412 9.90494 numMergedOcc 0
23 mol 210 unq 2 iso 0 dist 8.62103 14.823 7.56882 3.84723 6.18308 12.3088 9.97171 5.82028 9.00343 9.67457 numMergedOcc 0
24 mol 210 unq 3 iso 0 dist 8.62103 14.823 7.56882 3.84723 6.18308 12.3088 12.9116 4.62641 7.05535 9.90494 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 6.21233 9.87838 5.29674 12.3614 11.2438 8.36396 12.1937 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 4.32403 8.04248 5.52669 12.3123 6.0258 9.13126 9.10613 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 9.05929 6.0905 6.73134 4.38595 8.35971 5.27568 12.3123 6.0258 9.13126 12.9448 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 15.9247 6.62361 6.74214 9.31417 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.94315 15.8036 7.98022 12.521 5.72887 6.3873 15.6563 5.96552 5.33462 5.56719 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 14.2562 6.62361 6.74214 9.31417 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 8.59074 12.1988 7.98022 9.18011 5.72887 6.3873 13.2039 5.96552 5.33462 5.56719 numMergedOcc 0
32 mol 238 unq 4 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 9.91921 6.62361 6.74214 9.31417 numMergedOcc 0
33 mol 238 unq 5 iso 0 dist 6.2365 6.12122 7.98022 4.7157 5.72887 6.3873 8.20243 5.96552 5.33462 5.56719 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 6.72492 7.4631 7.93809 12.3126 4.86437 9.174 9.72526 numMergedOcc 0
35 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 9.87799 7.4631 7.93809 8.15897 4.86437 9.174 9.72526 numMergedOcc 0
36 mol 253 unq 0 iso 0 dist 5.89502 9.90493 8.07341 9.25001 9.02271 16.581 15.7064 11.4733 9.58767 19.9111 numMergedOcc 0
37 mol 253 unq 1 iso 0 dist 7.15815 14.7487 8.07341 4.93871 9.02271 16.581 17.0634 11.4733 9.58767 19.9111 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.06771 5.73217 6.96379 6.64729 8.13497 10.908 5.98006 5.71237 6.76656 6.77279 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 8.06771 5.73217 6.96379 9.79538 7.88519 12.7595 5.98006 5.71237 6.76656 9.58006 numMergedOcc 0
40 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 4.49913 8.45658 13.6041 19.4867 11.544 9.70222 17.2791 numMergedOcc 0
41 mol 265 unq 0 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 10.3071 15.4199 9.56472 15.5946 numMergedOcc 0
42 mol 265 unq 1 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 14.648 12.4903 6.5072 17.4584 numMergedOcc 0
43 mol 265 unq 2 iso 0 dist 9.772 9.91968 7.54805 5.75478 8.4218 12.5953 11.5231 5.11366 4.03921 12.3211 numMergedOcc 0
44 mol 272 unq 0 iso 0 dist 9.96394 12.1122 4.78812 11.5918 8.33638 5.27123 15.6437 5.96981 7.50321 12.4617 numMergedOcc 0
45 mol 272 unq 1 iso 0 dist 9.96394 12.1122 4.78812 11.5918 8.33638 5.27123 15.6477 6.76845 9.61597 13.2205 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 9.5773 9.70696 5.9229 9.71653 6.03718 8.57035 14.3672 numMergedOcc 0
