0 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 12.1855 9.87885 12.8323 14.4257 13.5229 7.78327 17.9276 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 9.23212 7.86896 4.61088 11.3059 6.54358 4.10106 9.08736 7.28643 8.68293 9.32171 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 9.23212 7.86896 4.61088 11.3059 6.54358 4.10106 9.74528 9.68636 6.84216 9.89425 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 5.79954 14.1415 9.38498 11.5216 9.73086 17.4121 10.3601 4.73407 6.23522 11.6307 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.01889 7.9573 9.38498 16.3376 9.73086 17.4121 8.58248 4.73407 6.23522 11.6307 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 4.83274 10.2219 6.97941 8.55291 9.6952 8.66662 5.91098 3.69293 7.61521 10.9358 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 7.89214 7.74851 6.97941 13.2696 9.6952 8.66662 4.86523 3.69293 7.61521 10.9358 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.26838 4.33346 9.03572 8.32734 8.27883 4.99174 9.02905 4.73066 7.51733 4.3439 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.26838 4.33346 9.03572 4.79063 5.75428 4.46005 9.02905 4.73066 7.51733 6.05855 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.26838 4.33346 9.03572 4.05985 8.57395 8.28518 9.02905 4.73066 7.51733 11.1729 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 8.26838 4.33346 9.03572 12.6917 9.85409 15.917 9.02905 4.73066 7.51733 14.5416 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 8.26838 7.47119 8.83255 8.32734 8.27883 8.67311 9.02905 4.73066 9.01607 4.3439 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 8.26838 7.47119 8.83255 4.79063 5.75428 3.94293 9.02905 4.73066 9.01607 6.05855 numMergedOcc 0
13 mol 95 unq 6 iso 0 dist 8.26838 7.47119 8.83255 4.05985 8.57395 9.22202 9.02905 4.73066 9.01607 11.1729 numMergedOcc 0
14 mol 95 unq 7 iso 0 dist 8.26838 7.47119 8.83255 12.6917 9.85409 13.7484 9.02905 4.73066 9.01607 14.5416 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.43616 10.746 7.71338 6.13615 8.47988 6.95317 9.64908 4.69658 6.87434 5.92828 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.43616 10.746 7.71338 4.49971 8.0427 7.57713 9.64908 4.69658 6.87434 9.1247 numMergedOcc 0
17 mol 127 unq 0 iso 0 dist 7.73139 11.0785 9.30299 4.66329 6.08673 12.8087 16.2733 12.7606 5.39356 17.4196 numMergedOcc 0
18 mol 127 unq 1 iso 0 dist 7.73139 11.0785 9.30299 4.66329 6.08673 12.8087 14.9529 12.6193 9.92746 16.9845 numMergedOcc 0
19 mol 127 unq 2 iso 0 dist 6.66607 8.89539 9.30299 7.30158 6.08673 12.8087 12.6869 12.7606 5.39356 17.4196 numMergedOcc 0
20 mol 127 unq 3 iso 0 dist 6.66607 8.89539 9.30299 7.30158 6.08673 12.8087 16.68 12.6193 9.92746 16.9845 numMergedOcc 0
21 mol 127 unq 4 iso 0 dist 8.62711 10.345 9.30299 9.74982 6.08673 12.8087 14.5617 12.7606 5.39356 17.4196 numMergedOcc 0
22 mol 127 unq 5 iso 0 dist 8.62711 10.345 9.30299 9.74982 6.08673 12.8087 9.15924 12.6193 9.92746 16.9845 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.30872 6.3915 5.99315 5.88056 5.37047 4.78563 9.9753 9.14188 8.99891 12.5751 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 7.5984 5.11989 5.99315 14.6282 7.36975 13.1926 5.33772 6.75249 8.64905 11.7801 numMergedOcc 0
25 mol 143 unq 2 iso 0 dist 7.5984 5.11989 5.99315 7.11802 5.40637 7.39837 5.33772 6.75249 8.64905 6.60366 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 9.27989 12.1502 6.16342 3.28983 6.73665 10.6736 12.4909 4.32238 4.43499 10.5638 numMergedOcc 0
27 mol 280 unq 0 iso 0 dist 9.26066 12.5899 6.53701 8.13853 6.02353 4.90315 15.2678 6.87492 6.01897 8.96231 numMergedOcc 0
