0 mol 12 unq 0 iso 0 dist 9.86138 7.41387 6.65398 8.09419 4.98378 9.20201 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 5.76006 6.5386 6.65398 7.86307 4.98378 9.20201 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.02004 13.2553 6.04551 13.2196 5.90067 6.78264 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.02004 13.2553 6.04551 21.2748 13.4777 8.45484 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.35042 5.28841 6.04551 10.2313 5.90067 6.78264 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.35042 5.28841 6.04551 13.3706 13.4777 8.45484 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.77714 13.11 6.01454 21.4085 13.7656 8.80334 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.46118 4.99432 6.01454 13.2722 13.7656 8.80334 numMergedOcc 0
8 mol 55 unq 0 iso 0 dist 6.71884 4.13365 9.30367 6.32571 5.80038 8.37045 numMergedOcc 0
9 mol 55 unq 1 iso 0 dist 6.71884 12.3731 6.67079 10.3256 4.11996 7.01944 numMergedOcc 0
10 mol 55 unq 2 iso 0 dist 7.8855 13.969 7.14636 12.6603 5.27768 7.01944 numMergedOcc 0
11 mol 55 unq 3 iso 0 dist 9.25575 18.5033 9.30367 12.4984 5.80038 8.37045 numMergedOcc 0
12 mol 55 unq 4 iso 0 dist 9.25575 6.59267 6.67079 6.49013 4.11996 7.01944 numMergedOcc 0
13 mol 55 unq 5 iso 0 dist 8.29508 10.1034 7.14636 10.7736 5.27768 7.01944 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 5.65519 7.26196 6.08228 11.5001 7.41847 8.61926 numMergedOcc 0
15 mol 64 unq 1 iso 0 dist 8.00221 9.65826 7.24183 9.31622 5.78769 8.64746 numMergedOcc 0
16 mol 160 unq 0 iso 0 dist 8.54789 4.62125 8.87648 11.0088 9.33636 9.50008 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 8.12739 9.30712 6.03184 14.6502 7.87691 7.77669 numMergedOcc 0
18 mol 189 unq 0 iso 0 dist 9.57128 12.8515 7.04604 12.478 5.87044 4.96433 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.98518 9.07015 8.98362 5.02756 5.34316 9.49722 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 9.3888 5.58779 8.98362 11.2281 5.34316 9.49722 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 5.59164 4.63444 5.57184 9.13022 6.23871 6.40309 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 5.59164 4.63444 5.57184 12.189 10.1372 7.87164 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 5.69868 5.77901 6.00654 8.77792 5.28695 4.57548 numMergedOcc 0
24 mol 239 unq 1 iso 0 dist 7.76984 4.95913 8.34832 13.9074 15.8519 9.51945 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 8.9281 7.05054 6.18866 10.7504 4.16447 9.02486 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 7.80528 9.41515 6.76462 16.0543 12.9504 9.84153 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 7.42888 5.83092 8.97411 8.20751 5.28906 6.73928 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 7.87939 5.26607 8.61786 6.41474 4.75686 5.45375 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 7.87939 5.26607 8.61786 10.6253 10.8282 9.9145 numMergedOcc 0
30 mol 294 unq 0 iso 0 dist 5.47073 12.3563 8.60441 10.5444 7.47947 8.73893 numMergedOcc 0
