0 mol 10 unq 0 iso 0 dist 8.03458 6.61479 9.88507 13.4656 12.8824 9.43029 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.29504 12.9719 9.39017 16.5777 12.2644 6.18431 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 9.29504 12.9719 9.39017 12.3082 11.1245 9.07726 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.6051 13.5603 9.52857 17.8114 11.7488 9.90835 numMergedOcc 0
4 mol 12 unq 1 iso 0 dist 8.15864 4.40652 9.52857 12.7 11.7488 9.90835 numMergedOcc 0
5 mol 15 unq 0 iso 0 dist 9.09251 12.1533 8.37378 12.6653 4.64441 6.23015 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 8.61089 5.37898 5.33546 10.4651 4.0291 7.43127 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 8.64686 8.69896 5.33546 12.0233 4.0291 7.43127 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 7.2118 10.4465 5.68212 11.6439 8.85381 9.95355 numMergedOcc 0
9 mol 83 unq 1 iso 0 dist 7.2118 10.4465 5.68212 10.6022 6.70737 9.69913 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 6.1083 10.2375 6.09256 12.5727 6.79366 7.77089 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 6.11833 8.65154 8.40598 9.9108 4.59356 7.77089 numMergedOcc 0
12 mol 105 unq 2 iso 0 dist 7.12201 11.2367 8.40598 10.6823 4.59356 7.77089 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.6453 8.73165 9.7113 8.85652 6.31483 6.34626 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.40718 14.1039 9.2933 17.7213 15.7604 8.12266 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.40718 14.1039 9.2933 11.1521 9.35605 9.43306 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.40718 14.1039 9.2933 12.519 5.66304 8.59681 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 9.40718 5.39949 8.77781 8.39573 9.76508 5.99437 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 9.40718 5.39949 8.77781 11.1521 9.35605 8.4848 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 6.2016 13.2917 8.14859 13.7147 8.06606 9.40971 numMergedOcc 0
20 mol 192 unq 1 iso 0 dist 6.2016 10.3343 5.62421 13.7147 8.06606 9.8428 numMergedOcc 0
21 mol 198 unq 0 iso 0 dist 7.86075 6.51466 9.60514 10.4961 5.14649 8.63279 numMergedOcc 0
22 mol 204 unq 0 iso 0 dist 9.52029 16.9386 7.59757 22.4373 14.13 9.48625 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 5.86839 8.3451 9.37516 6.50586 3.73699 8.31721 numMergedOcc 0
24 mol 214 unq 0 iso 0 dist 7.82201 11.045 5.82124 12.0564 4.54444 5.31416 numMergedOcc 0
25 mol 214 unq 1 iso 0 dist 7.82201 11.045 5.82124 13.7263 7.05353 5.44533 numMergedOcc 0
26 mol 214 unq 2 iso 0 dist 5.86911 5.74127 5.82124 8.44407 4.54444 5.31416 numMergedOcc 0
27 mol 214 unq 3 iso 0 dist 5.86911 5.74127 5.82124 6.0155 7.05353 5.44533 numMergedOcc 0
28 mol 214 unq 4 iso 0 dist 7.89258 5.74127 8.31236 8.44407 5.33718 5.31416 numMergedOcc 0
29 mol 214 unq 5 iso 0 dist 7.89258 5.74127 8.31236 6.0155 5.12324 5.44533 numMergedOcc 0
30 mol 220 unq 0 iso 0 dist 6.39087 5.45485 5.75839 8.63649 4.4227 9.23863 numMergedOcc 0
31 mol 220 unq 1 iso 0 dist 9.86144 4.69132 5.75839 13.5602 4.4227 9.23863 numMergedOcc 0
32 mol 224 unq 0 iso 0 dist 7.03925 5.93235 6.84722 8.57781 4.67513 5.05368 numMergedOcc 0
33 mol 229 unq 0 iso 0 dist 6.28935 4.65019 8.70049 12.5346 11.4693 9.37336 numMergedOcc 0
34 mol 229 unq 1 iso 0 dist 8.4208 4.65019 9.55385 12.5346 11.1131 9.37336 numMergedOcc 0
35 mol 236 unq 0 iso 0 dist 8.63249 11.7955 5.91739 11.9747 4.58625 6.15635 numMergedOcc 0
36 mol 236 unq 1 iso 0 dist 7.74348 8.52618 5.91739 9.14031 4.58625 6.15635 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 5.78262 7.10817 9.16554 8.66133 5.53908 7.85836 numMergedOcc 0
38 mol 273 unq 1 iso 0 dist 5.78262 7.10817 9.16554 10.7274 8.8839 6.35532 numMergedOcc 0
39 mol 273 unq 2 iso 0 dist 5.78262 4.30863 8.83491 6.95569 12.7125 5.61969 numMergedOcc 0
40 mol 273 unq 3 iso 0 dist 7.6489 4.30863 9.02711 6.95569 10.8576 5.61969 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.66936 5.41599 9.35976 11.2458 13.1828 9.26157 numMergedOcc 0
42 mol 277 unq 1 iso 0 dist 8.15119 12.7485 9.35976 9.91103 13.1828 9.26157 numMergedOcc 0
