0 mol 43 unq 0 iso 0 dist 8.25984 5.22412 6.95457 9.79678 4.64937 6.65308 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 8.57385 4.8101 7.34465 12.8743 10.4601 8.72121 numMergedOcc 0
2 mol 111 unq 0 iso 0 dist 8.83191 8.29372 7.22098 15.2209 11.8798 9.01984 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 8.48435 5.82731 7.33646 10.5293 9.81852 7.34368 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 8.15549 4.6147 7.17412 7.73306 5.6296 9.77766 numMergedOcc 0
5 mol 132 unq 1 iso 0 dist 8.15549 6.20797 5.69956 7.73306 5.6296 9.11314 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.57285 5.29858 7.88147 10.149 5.05633 6.83034 numMergedOcc 0
7 mol 165 unq 0 iso 0 dist 8.2197 8.46989 6.78432 7.74717 9.78341 4.46402 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 6.03184 7.64428 9.25721 9.30469 4.81365 9.11753 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.94671 5.38392 9.72584 8.22267 4.39505 9.96156 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 8.94671 5.38392 9.72584 12.1334 13.728 9.80892 numMergedOcc 0
11 mol 206 unq 0 iso 0 dist 4.51269 4.91317 5.71819 8.21649 7.54538 5.99766 numMergedOcc 0
12 mol 206 unq 1 iso 0 dist 7.65323 4.91317 8.48679 8.21649 4.85877 5.99766 numMergedOcc 0
13 mol 206 unq 2 iso 0 dist 8.63033 9.30262 7.44186 14.466 8.77652 5.99766 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 6.24111 10.6912 8.78286 7.52542 6.24537 8.86708 numMergedOcc 0
15 mol 210 unq 1 iso 0 dist 6.24111 10.6912 8.78286 15.0954 13.3059 5.86875 numMergedOcc 0
16 mol 210 unq 2 iso 0 dist 9.00343 15.1716 8.78286 9.58979 6.24537 8.86708 numMergedOcc 0
17 mol 210 unq 3 iso 0 dist 9.00343 15.1716 8.78286 19.0684 13.3059 5.86875 numMergedOcc 0
18 mol 210 unq 4 iso 0 dist 6.41444 11.533 8.78286 11.7525 6.24537 8.86708 numMergedOcc 0
19 mol 210 unq 5 iso 0 dist 6.41444 11.533 8.78286 17.1927 13.3059 5.86875 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.17355 8.34455 5.05353 6.45234 11.8854 9.55264 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 8.5434 6.08894 5.05353 12.428 11.8854 9.55264 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 7.35148 3.96711 9.57951 12.2225 13.2207 9.92712 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 6.41477 8.93055 9.17214 11.7749 8.80297 9.42131 numMergedOcc 0
24 mol 261 unq 1 iso 0 dist 6.41477 8.93055 9.17214 11.9638 8.44258 6.24373 numMergedOcc 0
25 mol 281 unq 0 iso 0 dist 6.7897 8.71561 9.55134 12.2621 11.1081 5.46236 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 7.53773 5.25699 5.7378 8.76844 8.99445 6.69313 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 7.13925 5.14397 6.91284 14.4756 10.8968 9.83528 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 8.60951 6.67528 9.87409 10.0128 5.36467 8.52276 numMergedOcc 0
29 mol 284 unq 1 iso 0 dist 8.60951 9.57806 8.97383 10.0128 5.36467 7.55623 numMergedOcc 0
