0 mol 11 unq 0 iso 0 dist 9.64228 7.95375 8.21795 9.76481 11.2277 4.4678 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.36524 6.20159 13.7039 7.66913 7.86199 11.3492 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 6.84521 9.92963 15.4121 9.35453 10.7805 9.82546 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.84521 8.07389 8.42544 9.35453 10.7805 10.9858 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.90024 9.92963 18.4575 9.35453 13.5667 9.82546 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.90024 8.07389 6.09486 9.35453 13.5667 10.9858 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 6.78532 9.92963 13.9259 9.35453 7.42491 9.82546 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 6.78532 8.07389 4.40385 9.35453 7.42491 10.9858 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.77833 9.54062 10.1702 6.13606 4.36555 11.4024 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 8.30653 9.29166 15.4825 5.76805 10.8634 5.69897 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 8.63742 9.41961 9.58894 5.40928 4.98521 5.69897 numMergedOcc 0
11 mol 70 unq 3 iso 0 dist 6.91739 9.29166 9.58894 5.76805 4.98521 5.69897 numMergedOcc 0
12 mol 85 unq 0 iso 0 dist 9.9795 8.58689 5.83941 5.20528 9.29301 6.64001 numMergedOcc 0
13 mol 85 unq 1 iso 0 dist 9.9795 7.82214 5.46695 5.20528 9.29301 4.58085 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 9.96446 7.69672 12.6706 6.15011 8.70803 12.4367 numMergedOcc 0
15 mol 92 unq 1 iso 0 dist 6.70686 7.69672 8.52106 6.15011 8.87994 12.4367 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.42271 6.94623 10.7371 6.08299 5.71679 5.51309 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 6.44195 5.7306 4.66975 8.85675 10.0639 11.9741 numMergedOcc 0
18 mol 154 unq 1 iso 0 dist 7.34207 5.7306 9.20471 8.85675 5.27847 11.9741 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.28961 6.58855 4.19562 8.59976 10.3792 13.1373 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.28961 6.58855 4.19562 9.71763 8.6888 12.3204 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 6.0639 9.02321 5.04574 6.0685 7.94756 10.9995 numMergedOcc 0
22 mol 186 unq 1 iso 0 dist 6.91355 9.02321 11.8536 6.0685 7.02735 10.9995 numMergedOcc 0
23 mol 197 unq 0 iso 0 dist 7.70631 6.18166 4.91336 9.3055 7.16732 5.47413 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.25882 6.254 6.16939 6.32542 6.09749 8.16279 numMergedOcc 0
25 mol 217 unq 0 iso 0 dist 7.58097 8.57319 11.9372 5.88992 4.92696 9.12199 numMergedOcc 0
26 mol 235 unq 0 iso 0 dist 9.03917 7.79729 8.98913 5.98104 5.5163 3.81221 numMergedOcc 0
27 mol 235 unq 1 iso 0 dist 6.56775 7.79729 10.8002 5.98104 7.77516 3.81221 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 6.95233 9.85095 5.60582 8.31182 9.2768 12.6333 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 6.95233 8.25191 10.3169 8.31182 9.2768 15.5391 numMergedOcc 0
30 mol 266 unq 2 iso 0 dist 6.95233 7.35056 9.69688 8.31182 9.2768 13.1627 numMergedOcc 0
31 mol 266 unq 3 iso 0 dist 9.61741 9.85095 17.1864 8.31182 5.82477 12.6333 numMergedOcc 0
32 mol 266 unq 4 iso 0 dist 9.61741 8.25191 15.5379 8.31182 5.82477 15.5391 numMergedOcc 0
33 mol 266 unq 5 iso 0 dist 9.61741 7.35056 12.4229 8.31182 5.82477 13.1627 numMergedOcc 0
34 mol 266 unq 6 iso 0 dist 5.61056 9.85095 12.5903 8.31182 7.15796 12.6333 numMergedOcc 0
35 mol 266 unq 7 iso 0 dist 5.61056 8.25191 9.37668 8.31182 7.15796 15.5391 numMergedOcc 0
36 mol 266 unq 8 iso 0 dist 5.61056 7.35056 6.29234 8.31182 7.15796 13.1627 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 9.79022 8.20612 4.01113 6.59092 7.81483 9.23974 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 9.38793 7.89017 13.9139 7.64361 16.4697 6.17749 numMergedOcc 0
39 mol 280 unq 0 iso 0 dist 6.52188 8.89904 9.89602 9.35785 10.173 4.71431 numMergedOcc 0
