0 mol 16 unq 0 iso 0 dist 8.62634 5.65481 9.04834 6.68517 6.05535 4.7319 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.62634 10.0664 8.17898 11.9541 5.72175 5.05803 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.66616 9.83216 8.23292 11.7842 12.4427 5.04899 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 9.3613 7.16404 6.85305 12.4972 4.70723 9.24927 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 9.28075 5.63684 6.46655 12.6493 8.94845 7.17396 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 9.28075 5.63684 6.46655 13.6886 6.32263 9.21998 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 8.71324 7.70414 9.10915 9.56181 9.73304 9.67592 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 9.5663 7.70414 5.54343 9.56181 5.59762 9.67592 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 5.84349 4.16047 8.26838 7.90775 4.33346 9.03572 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 5.84349 4.16047 8.26838 9.96562 7.47119 8.83255 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 5.84349 4.16047 8.26838 11.3191 15.4217 8.03644 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 6.7095 8.90571 9.0361 8.84131 7.49575 7.36792 numMergedOcc 0
12 mol 109 unq 0 iso 0 dist 7.60412 8.36322 8.46734 11.7396 6.43998 7.34473 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.15949 6.49725 9.24515 6.71345 5.24877 7.5732 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.18707 4.82909 6.09472 8.64107 5.74878 4.99221 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.91786 4.82909 6.20658 8.64107 7.09627 4.99221 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 5.91786 6.68557 7.83568 9.50575 7.10772 5.11551 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 5.91786 6.68557 7.83568 12.88 11.3906 7.11972 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.24204 5.21119 5.67862 10.8084 9.52819 6.37586 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.24204 5.21119 5.67862 13.5945 12.4156 9.71307 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.24204 7.45628 7.97208 12.8332 12.5576 6.54501 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 9.24204 7.45628 7.97208 10.8084 9.52819 6.49416 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.42226 9.40374 7.45401 10.8152 6.8549 7.54065 numMergedOcc 0
23 mol 188 unq 0 iso 0 dist 9.66794 7.74092 7.63268 15.3362 7.63236 9.96154 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 7.55389 10.1816 7.7292 16.343 13.4646 7.10633 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 7.55389 10.1816 7.7292 15.9775 9.54287 8.51516 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 7.24175 4.7088 9.4835 9.0058 14.5108 8.82096 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 5.60195 12.0174 8.9077 11.8036 10.6943 9.23153 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 5.60195 12.0174 8.9077 18.9555 15.396 8.24498 numMergedOcc 0
29 mol 220 unq 2 iso 0 dist 7.87359 9.89208 8.9077 11.1368 10.6943 9.23153 numMergedOcc 0
30 mol 220 unq 3 iso 0 dist 7.87359 9.89208 8.9077 17.2259 15.396 8.24498 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 8.49961 17.1024 9.27989 17.8808 12.1502 6.16342 numMergedOcc 0
32 mol 241 unq 0 iso 0 dist 7.16232 5.3674 6.40592 6.90245 7.93809 7.4631 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 8.36611 5.09075 7.15785 11.83 6.5875 8.02547 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 8.36611 10.5849 9.43169 11.83 6.5875 6.05727 numMergedOcc 0
35 mol 261 unq 2 iso 0 dist 6.93654 6.39263 8.50313 9.80409 13.3163 8.45658 numMergedOcc 0
36 mol 261 unq 3 iso 0 dist 9.66298 6.39263 7.6414 9.80409 13.6041 8.45658 numMergedOcc 0
