0 mol 0 unq 0 iso 0 dist 9.16606 6.94181 5.85361 5.47921 11.788 7.15528 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.40995 7.32392 4.77411 15.5277 12.4562 9.60499 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.05125 7.15434 9.17482 11.2706 15.9303 7.10621 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 7.35767 12.5407 8.96553 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 5.41248 6.57999 10.1093 7.35767 12.5407 9.62879 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 7.45665 6.4754 4.62402 7.06064 13.0573 9.62879 numMergedOcc 0
6 mol 14 unq 0 iso 0 dist 9.82883 8.60571 5.55214 7.12085 13.681 9.7022 numMergedOcc 0
7 mol 14 unq 1 iso 0 dist 9.82883 8.60571 5.55214 10.9516 14.8819 9.58196 numMergedOcc 0
8 mol 14 unq 2 iso 0 dist 9.82883 8.60571 5.55214 11.3111 13.9071 9.04767 numMergedOcc 0
9 mol 14 unq 3 iso 0 dist 8.05352 6.89209 9.85095 5.49061 12.859 6.38364 numMergedOcc 0
10 mol 14 unq 4 iso 0 dist 8.5032 6.89209 6.83016 5.49061 11.7361 6.38364 numMergedOcc 0
11 mol 16 unq 0 iso 0 dist 9.15471 8.59049 9.30655 5.70228 10.3488 4.7319 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 7.62469 9.17086 5.39546 5.90113 10.0804 8.80331 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 6.29755 6.54183 5.58127 5.65405 9.89662 8.10861 numMergedOcc 0
14 mol 54 unq 1 iso 0 dist 7.4038 6.54183 5.54544 5.65405 11.7963 8.10861 numMergedOcc 0
15 mol 59 unq 0 iso 0 dist 8.88969 7.98444 5.03467 8.50779 9.75265 8.95999 numMergedOcc 0
16 mol 61 unq 0 iso 0 dist 7.77128 9.70415 16.1373 5.46309 12.841 6.65721 numMergedOcc 0
17 mol 61 unq 1 iso 0 dist 7.77128 9.70415 16.1373 11.9897 18.5951 6.72123 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 6.7939 8.16299 7.80518 10.3774 7.23812 8.70481 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 6.85356 8.16299 11.6012 10.3774 10.396 8.70481 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 8.44695 8.27015 7.80518 12.6626 7.23812 8.70481 numMergedOcc 0
21 mol 86 unq 0 iso 0 dist 9.67574 8.40609 7.89966 9.54732 14.5863 9.5497 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.26536 8.05602 12.5137 12.0507 15.9063 5.08437 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 5.26536 8.05602 12.5137 4.72129 9.4286 6.48948 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 5.26536 8.05602 12.5137 12.0339 17.163 6.10456 numMergedOcc 0
25 mol 100 unq 0 iso 0 dist 8.09751 8.96916 12.7068 5.92158 9.27725 6.45675 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 8.09751 5.70279 11.3776 5.92158 9.27725 7.47343 numMergedOcc 0
27 mol 100 unq 2 iso 0 dist 8.09751 5.70279 11.3776 5.85449 13.9516 6.65086 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 8.09751 5.70279 11.3776 7.68675 13.081 6.56369 numMergedOcc 0
29 mol 100 unq 4 iso 0 dist 8.09751 5.70279 11.3776 9.53223 17.0478 9.30209 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 9.47253 8.97043 10.1455 11.8721 17.1394 9.33865 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 9.47253 8.97043 10.1455 5.19652 9.54842 6.11741 numMergedOcc 0
32 mol 125 unq 0 iso 0 dist 8.48363 6.03557 6.10523 5.14495 12.6769 8.62381 numMergedOcc 0
33 mol 126 unq 0 iso 0 dist 9.63161 6.24392 4.7848 5.50061 10.2273 6.06638 numMergedOcc 0
34 mol 129 unq 0 iso 0 dist 7.26325 6.23966 5.12351 5.16275 12.0652 9.61051 numMergedOcc 0
35 mol 129 unq 1 iso 0 dist 7.26325 6.23966 5.12351 6.65856 6.42706 5.83384 numMergedOcc 0
36 mol 131 unq 0 iso 0 dist 9.14809 9.33945 14.651 12.3624 19.6719 8.40312 numMergedOcc 0
37 mol 131 unq 1 iso 0 dist 6.45169 9.33945 7.47571 12.3624 14.1255 8.40312 numMergedOcc 0
38 mol 142 unq 0 iso 0 dist 7.21779 7.15087 9.15453 8.68855 10.1001 9.2313 numMergedOcc 0
39 mol 142 unq 1 iso 0 dist 7.21779 7.15087 9.15453 5.50176 9.78089 5.31024 numMergedOcc 0
40 mol 155 unq 0 iso 0 dist 8.3622 5.68636 8.78324 7.92939 14.5301 6.43582 numMergedOcc 0
41 mol 209 unq 0 iso 0 dist 6.74526 6.14896 7.34962 9.80484 14.282 7.56373 numMergedOcc 0
42 mol 209 unq 1 iso 0 dist 8.12326 6.14896 7.61997 9.80484 13.2724 7.56373 numMergedOcc 0
43 mol 209 unq 2 iso 0 dist 8.68691 9.12289 7.34962 11.2544 14.282 7.56373 numMergedOcc 0
44 mol 209 unq 3 iso 0 dist 7.37014 9.12289 7.61997 11.2544 13.2724 7.56373 numMergedOcc 0
45 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 5.01062 7.73634 6.00706 numMergedOcc 0
46 mol 222 unq 1 iso 0 dist 7.99609 8.5834 9.69122 5.01062 7.73634 7.54212 numMergedOcc 0
47 mol 224 unq 0 iso 0 dist 8.18749 9.73411 11.2298 14.1073 18.8009 8.95269 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 8.18749 9.73411 11.2298 9.81806 14.526 6.57273 numMergedOcc 0
49 mol 224 unq 2 iso 0 dist 8.18749 9.73411 11.2298 5.99647 10.0508 5.78342 numMergedOcc 0
50 mol 224 unq 3 iso 0 dist 8.18749 7.75485 5.95421 5.99647 10.0508 5.81334 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 6.86281 8.8557 11.8327 5.65373 11.2048 8.22528 numMergedOcc 0
52 mol 229 unq 1 iso 0 dist 6.86281 5.00457 6.36273 5.65373 11.2048 7.03423 numMergedOcc 0
53 mol 229 unq 2 iso 0 dist 6.86281 5.00457 6.36273 6.23084 8.68804 9.06952 numMergedOcc 0
54 mol 230 unq 0 iso 0 dist 9.32781 5.62804 9.33469 6.33989 10.0551 6.7547 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 7.75366 4.87108 10.3683 7.45873 14.2408 6.22714 numMergedOcc 0
56 mol 238 unq 1 iso 0 dist 7.75366 7.64276 10.313 7.45873 14.2408 7.31233 numMergedOcc 0
57 mol 256 unq 0 iso 0 dist 9.92947 5.98967 4.85574 6.64029 12.7898 8.29103 numMergedOcc 0
58 mol 258 unq 0 iso 0 dist 8.73425 8.21585 5.90131 5.13233 9.04358 6.42289 numMergedOcc 0
59 mol 258 unq 1 iso 0 dist 9.65711 8.21585 4.51422 5.13233 10.0455 6.42289 numMergedOcc 0
60 mol 274 unq 0 iso 0 dist 9.11322 8.30175 4.54436 5.55557 11.5357 9.10818 numMergedOcc 0
61 mol 280 unq 0 iso 0 dist 6.38295 8.80588 8.26589 8.30978 5.41639 6.53701 numMergedOcc 0
62 mol 280 unq 1 iso 0 dist 6.38295 8.80588 8.26589 5.80223 7.96485 6.0664 numMergedOcc 0
