0 mol 32 unq 0 iso 0 dist 7.65602 4.4478 7.12013 12.428 9.46895 8.79217 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 8.34361 4.94741 6.10175 14.1632 6.29755 12.1689 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 8.34361 4.94741 6.10175 15.4599 7.4038 11.8364 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.04448 10.9027 3.59451 6.38409 4.3521 7.89992 numMergedOcc 0
4 mol 99 unq 0 iso 0 dist 7.09617 6.9006 8.23566 14.3576 9.39801 12.5118 numMergedOcc 0
5 mol 99 unq 1 iso 0 dist 7.09617 6.9006 8.23566 4.95662 4.82346 4.74328 numMergedOcc 0
6 mol 99 unq 2 iso 0 dist 7.09617 6.9006 8.23566 6.88843 8.89165 6.55763 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.79739 4.84829 8.28948 4.45483 8.88401 5.07523 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 8.12448 5.49502 9.64304 4.2009 8.48363 4.77979 numMergedOcc 0
9 mol 156 unq 0 iso 0 dist 9.13184 4.61998 6.47989 4.20708 5.50879 4.68339 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.43256 4.85698 8.39634 8.07962 8.09309 10.2448 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 8.14202 5.60933 8.39634 5.22715 8.09309 10.2448 numMergedOcc 0
12 mol 180 unq 0 iso 0 dist 9.26812 7.69346 8.86377 18.158 9.68557 14.9732 numMergedOcc 0
13 mol 180 unq 1 iso 0 dist 9.26812 13.8772 8.47156 18.158 9.68557 6.88051 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 9.39076 6.9812 9.56015 8.27556 8.78565 8.13817 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 7.43427 6.86057 5.98076 4.32641 9.11823 10.7072 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 7.50841 12.1138 5.98076 5.84356 9.11823 10.7072 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.33775 8.62656 8.86628 11.9181 9.42877 6.1732 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 8.95575 4.35944 5.00735 3.97555 9.32781 4.85368 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 8.95575 5.31386 6.73755 3.97555 9.32781 7.91665 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 8.52954 8.47815 7.52696 4.11428 7.30003 4.81997 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 8.88264 9.7941 8.11884 4.47286 9.92947 10.2154 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 6.41167 3.95075 6.59521 5.66907 8.73425 5.27718 numMergedOcc 0
23 mol 258 unq 1 iso 0 dist 6.41167 3.95075 6.59521 9.6053 9.65711 9.46467 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 9.83374 11.7549 9.36052 5.87385 7.84151 10.402 numMergedOcc 0
25 mol 273 unq 1 iso 0 dist 9.83374 11.7549 9.36052 14.3152 7.85797 5.78379 numMergedOcc 0
26 mol 273 unq 2 iso 0 dist 5.75335 7.38837 9.36052 3.92089 7.84151 10.402 numMergedOcc 0
27 mol 273 unq 3 iso 0 dist 5.75335 7.38837 9.36052 9.51983 7.85797 5.78379 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.91992 8.78001 8.83777 9.70521 6.40125 6.08499 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.91992 4.54209 9.42812 9.70521 6.40125 10.3278 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 4.26671 10.0698 9.047 4.65268 6.38295 14.0927 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 4.26671 11.2544 9.9227 4.65268 6.38295 11.4101 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 9.69083 12.4856 6.15136 6.50939 6.53354 6.84734 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 9.69083 12.4856 6.15136 14.2956 6.93798 4.67572 numMergedOcc 0
34 mol 283 unq 2 iso 0 dist 5.96202 5.49773 6.15136 4.89148 6.53354 6.84734 numMergedOcc 0
35 mol 283 unq 3 iso 0 dist 5.96202 5.49773 6.15136 4.01355 6.93798 4.67572 numMergedOcc 0
36 mol 283 unq 4 iso 0 dist 9.55068 5.8402 6.15136 5.57192 6.53354 6.84734 numMergedOcc 0
37 mol 283 unq 5 iso 0 dist 9.55068 5.8402 6.15136 9.29592 6.93798 4.67572 numMergedOcc 0
