0 mol 16 unq 0 iso 0 dist 9.15471 9.45103 5.7598 10.2769 13.3983 8.63347 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.0346 9.03138 3.85975 8.64357 10.1561 7.73662 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 8.0346 9.03138 3.85975 7.22218 10.3842 9.68007 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 4.80247 5.91948 4.67834 7.62116 9.45622 6.54758 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 7.35921 9.08749 6.42891 4.78036 9.42123 7.51011 numMergedOcc 0
5 mol 89 unq 0 iso 0 dist 6.86861 5.10735 8.04878 8.2865 14.0821 8.68698 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 6.21554 9.58844 6.5713 5.74226 7.93346 6.98077 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 7.69352 6.66653 3.35829 3.94255 10.4962 9.68213 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 8.27071 7.84418 10.4922 9.60726 12.7548 8.71347 numMergedOcc 0
9 mol 205 unq 1 iso 0 dist 8.63185 6.92823 6.22981 5.18043 12.4186 8.71347 numMergedOcc 0
10 mol 205 unq 2 iso 0 dist 7.25362 6.92823 4.7106 5.18043 5.8325 8.71347 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 10.2723 11.2243 8.83742 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 6.97798 9.96994 4.61961 4.95664 8.72746 9.94849 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 6.86281 8.3932 9.72183 9.61847 14.1501 8.70717 numMergedOcc 0
14 mol 235 unq 0 iso 0 dist 7.30003 6.50932 3.89748 7.34151 8.74649 8.31344 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.75366 5.41453 4.70535 12.2489 11.9776 8.28643 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 8.92121 8.03092 11.1207 8.65126 9.40943 8.9327 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 7.10828 6.0567 7.26668 5.58332 11.2673 5.68578 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 7.10828 6.0567 7.26668 14.0017 13.0427 9.50933 numMergedOcc 0
19 mol 242 unq 0 iso 0 dist 9.31878 6.1076 4.46131 11.575 12.1772 9.14189 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 7.2154 5.54003 4.4421 4.96479 7.20531 7.89993 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 8.64941 5.52484 3.42642 11.346 6.32156 7.95874 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 7.84151 8.28809 8.8839 11.2108 13.1971 9.45329 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 7.85797 8.28809 7.90253 11.2108 14.146 9.45329 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.52827 9.44618 13.4439 4.07526 11.1591 8.16952 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 8.52827 9.44618 13.4439 6.45021 12.8546 9.67649 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 6.53354 8.39635 7.87842 5.2842 8.63928 9.60873 numMergedOcc 0
27 mol 283 unq 1 iso 0 dist 6.93798 8.39635 5.55396 5.2842 10.8712 9.60873 numMergedOcc 0
