0 mol 0 unq 0 iso 0 dist 9.42137 5.66453 6.26831 7.31837 5.24778 6.64713 3.69299 10.7845 8.39054 9.38507 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.7522 14.6525 8.44506 9.44507 10.9837 9.5053 3.30063 7.98005 12.4814 9.11311 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 12.7039 4.55437 7.03307 17.6153 11.0768 10.0772 6.53981 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.96265 8.17152 7.52117 10.8505 6.16231 7.25707 17.6153 11.0768 10.0772 9.14809 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 9.70459 10.0357 7.52117 13.31 4.55437 7.03307 18.914 11.0768 10.0772 6.53981 numMergedOcc 0
5 mol 44 unq 3 iso 0 dist 9.70459 10.0357 7.52117 13.2328 6.16231 7.25707 18.914 11.0768 10.0772 9.14809 numMergedOcc 0
6 mol 44 unq 4 iso 0 dist 7.78905 7.37043 7.52117 10.53 4.55437 7.03307 15.6632 11.0768 10.0772 6.53981 numMergedOcc 0
7 mol 44 unq 5 iso 0 dist 7.78905 7.37043 7.52117 11.7913 6.16231 7.25707 15.6632 11.0768 10.0772 9.14809 numMergedOcc 0
8 mol 44 unq 6 iso 0 dist 9.44909 6.36853 7.52117 9.45566 4.55437 7.03307 12.2887 11.0768 10.0772 6.53981 numMergedOcc 0
9 mol 44 unq 7 iso 0 dist 9.44909 6.36853 7.52117 12.3808 6.16231 7.25707 12.2887 11.0768 10.0772 9.14809 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 15.6645 10.0962 6.99108 12.0774 10.3805 3.91174 9.09425 numMergedOcc 0
11 mol 76 unq 0 iso 0 dist 8.58841 5.25697 4.79949 7.75211 4.3931 6.66954 8.80874 12.3859 10.9502 9.32778 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 10.5329 13.534 8.57827 6.21004 11.7686 5.19513 9.22418 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.40546 6.64646 7.99623 8.4733 7.45148 9.9151 3.80816 7.60162 8.90156 6.21165 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 12.2564 13.1439 5.44303 14.2312 18.8134 9.93041 8.47526 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 10.5035 5.27847 6.51014 13.8037 10.5628 4.83835 8.90588 numMergedOcc 0
16 mol 162 unq 0 iso 0 dist 9.97921 5.5367 6.20182 12.0536 4.20425 7.14263 10.0292 7.93088 5.21512 5.67088 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 12.1826 10.5063 4.5271 14.6179 11.8448 6.50208 7.37629 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.03995 9.52773 9.83476 12.1826 10.5063 4.5271 13.9439 10.0218 6.3786 5.68985 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 8.03995 9.52773 9.83476 12.123 14.4429 7.02575 9.42025 15.2176 8.54557 8.2241 numMergedOcc 0
20 mol 253 unq 0 iso 0 dist 5.89502 5.73565 7.77998 9.9605 5.78064 8.15091 10.4196 11.2301 8.4971 9.82605 numMergedOcc 0
21 mol 253 unq 1 iso 0 dist 5.89502 5.73565 7.77998 9.9605 5.78064 8.15091 7.09012 9.7691 4.30218 9.73723 numMergedOcc 0
22 mol 253 unq 2 iso 0 dist 7.15815 9.82329 7.77998 9.69704 5.78064 8.15091 7.8581 11.2301 8.4971 9.82605 numMergedOcc 0
23 mol 253 unq 3 iso 0 dist 7.15815 9.82329 7.77998 9.69704 5.78064 8.15091 8.46732 9.7691 4.30218 9.73723 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 8.76638 3.73903 5.23193 10.5206 6.46616 8.67489 10.1996 12.0535 10.6248 8.46115 numMergedOcc 0
