0 mol 45 unq 0 iso 0 dist 8.69574 5.68664 5.94756 11.1486 4.51883 6.99408 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 9.44737 4.88949 7.51139 13.7319 8.40245 9.10189 numMergedOcc 0
2 mol 88 unq 1 iso 0 dist 9.44737 13.7888 7.80898 16.5659 7.15936 8.66514 numMergedOcc 0
3 mol 88 unq 2 iso 0 dist 9.44737 13.7888 7.80898 20.0671 10.8763 9.25235 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 9.54368 5.1219 7.13008 11.2591 10.6094 7.96555 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.42219 5.24961 6.39384 13.8388 6.49835 9.66954 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.42219 5.24961 6.39384 5.58063 5.65471 7.64585 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 8.42219 11.8122 9.42082 13.8388 6.49835 8.66155 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 6.78655 5.27151 8.19331 9.58171 5.56883 7.63616 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 9.42037 10.6616 8.19331 13.2996 5.56883 7.63616 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.75894 4.70935 6.08673 12.3265 12.2579 9.81878 numMergedOcc 0
11 mol 142 unq 0 iso 0 dist 9.15758 7.17402 7.18002 14.0595 12.2806 7.15475 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 12.2882 12.0485 9.14392 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 7.62575 4.48516 7.51198 numMergedOcc 0
14 mol 167 unq 0 iso 0 dist 8.77904 7.91498 9.2289 12.2649 7.0046 8.62646 numMergedOcc 0
15 mol 167 unq 1 iso 0 dist 6.48993 7.91498 7.02548 12.2649 6.24722 8.62646 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.27396 4.41193 5.96423 10.7934 11.6883 9.52936 numMergedOcc 0
17 mol 188 unq 0 iso 0 dist 7.6482 6.04074 7.88013 10.8112 6.39872 6.90541 numMergedOcc 0
18 mol 188 unq 1 iso 0 dist 9.30803 6.04074 9.90062 10.8112 8.81694 6.90541 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 9.45658 7.05959 7.94911 12.6001 5.9858 8.45368 numMergedOcc 0
20 mol 219 unq 0 iso 0 dist 6.52136 5.0241 4.33238 7.1158 3.78261 4.87541 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 6.32334 5.72088 8.79428 11.3096 10.9705 6.65984 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.13727 6.45589 9.12776 12.4585 15.4844 6.55759 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.13727 6.45589 9.12776 12.5547 13.037 7.02475 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 7.13727 6.45589 9.12776 10.4661 9.75095 7.67322 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 7.13727 6.45589 9.12776 9.57914 6.12722 7.19008 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 7.13727 12.521 9.72188 12.9182 11.7938 9.29858 numMergedOcc 0
27 mol 238 unq 5 iso 0 dist 8.56975 9.23693 9.12776 14.5282 15.4844 6.55759 numMergedOcc 0
28 mol 238 unq 6 iso 0 dist 8.56975 9.23693 9.12776 13.1095 13.037 7.02475 numMergedOcc 0
29 mol 238 unq 7 iso 0 dist 8.56975 9.23693 9.12776 9.46582 9.75095 7.67322 numMergedOcc 0
30 mol 238 unq 8 iso 0 dist 8.56975 9.23693 9.12776 12.4083 6.12722 7.19008 numMergedOcc 0
31 mol 238 unq 9 iso 0 dist 8.56975 9.18011 9.72188 9.77231 11.7938 9.29858 numMergedOcc 0
32 mol 257 unq 0 iso 0 dist 8.70029 6.45947 8.83833 12.9487 10.0311 7.14834 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 4.95855 5.59901 6.9899 10.5745 9.2872 6.77938 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 8.46351 4.61451 7.76676 numMergedOcc 0
35 mol 274 unq 0 iso 0 dist 4.97796 4.56913 6.4611 8.62431 5.70568 6.50589 numMergedOcc 0
36 mol 274 unq 1 iso 0 dist 7.15079 4.37547 9.30212 10.8 15.0646 6.50589 numMergedOcc 0
