0 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 9.30877 9.87867 6.42835 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 9.05346 4.78943 7.03948 9.8871 4.68733 6.57331 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 9.05346 5.48395 5.47769 9.8871 4.68733 8.43054 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 13.2665 5.57199 7.26268 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.75205 15.6961 9.10189 17.4964 8.40245 7.51139 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 10.1309 7.94489 8.3773 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 10.8728 4.81369 5.7144 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 8.42219 5.65471 6.39384 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 15.0886 6.95589 6.10127 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 9.58171 5.27151 7.63616 6.78655 5.56883 8.19331 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 7.62575 10.4606 7.51198 7.25009 4.48516 8.97626 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.19849 8.66436 8.62646 10.7297 4.15547 7.20495 numMergedOcc 0
12 mol 167 unq 1 iso 0 dist 9.19849 8.66436 8.62646 11.298 7.0046 9.2289 numMergedOcc 0
13 mol 167 unq 2 iso 0 dist 9.19849 8.66436 8.62646 11.5835 6.24722 7.02548 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.70025 6.20895 7.37327 11.2633 4.88823 6.64173 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.70025 6.20895 7.37327 13.7526 14.8923 9.01624 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 9.70025 6.20895 7.37327 14.0199 14.2334 9.55105 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 7.63511 8.97729 8.36117 14.8642 9.33403 9.03441 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 7.1158 5.0241 4.87541 6.52136 3.78261 4.33238 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 13.4661 11.5454 6.91318 numMergedOcc 0
20 mol 236 unq 0 iso 0 dist 6.98151 4.15973 5.34718 11.2893 13.0765 9.3206 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.94175 14.9782 6.55759 22.5495 15.4844 9.12776 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.81534 9.85437 6.55759 17.4614 15.4844 9.12776 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 9.46582 9.23693 7.67322 8.56975 9.75095 9.12776 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.77231 15.3161 9.68513 15.6667 5.99163 8.82351 numMergedOcc 0
25 mol 238 unq 4 iso 0 dist 9.77231 9.18011 9.29858 8.56975 11.7938 9.72188 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 8.46351 5.59901 7.76676 10.7775 7.27192 8.03219 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 8.46351 5.59901 7.76676 4.95855 4.61451 6.9899 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 9.53092 4.77548 7.48005 14.1938 9.98303 9.63573 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 9.53092 4.77548 7.48005 10.2275 14.0829 7.66153 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.62431 4.56913 6.50589 8.97249 15.0646 9.30212 numMergedOcc 0
31 mol 274 unq 1 iso 0 dist 8.62431 4.56913 6.50589 4.97796 5.70568 6.4611 numMergedOcc 0
