0 mol 25 unq 0 iso 0 dist 6.90155 4.79873 6.86525 10.6808 5.81959 11.4732 5.63212 12.3361 7.44277 15.8541 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 8.13395 8.60739 6.75943 10.8828 7.24352 8.34145 5.07458 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 8.13395 9.93832 6.6263 5.07458 7.24352 8.34145 10.8828 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 8.07446 5.16364 5.61588 6.41115 9.28577 8.46627 5.9144 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 8.07446 5.16364 7.83244 6.41115 9.28577 9.22208 5.9144 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 5.16364 5.61588 5.50891 8.07446 8.85586 5.5087 5.9144 9.28577 8.46627 6.41115 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 5.16364 7.83244 4.75954 8.07446 8.85586 6.08682 5.9144 9.28577 9.22208 6.41115 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 6.48636 8.67766 12.448 10.9531 17.0216 9.09348 14.9844 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 5.34214 7.07971 6.8409 4.98336 7.55384 11.8087 5.00433 9.78192 9.09348 8.07002 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 5.62899 8.20836 7.21868 4.46337 5.11043 8.62504 7.41373 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 5.62899 7.36779 9.66543 7.41373 5.11043 8.62504 4.46337 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 6.21253 7.86572 11.5913 13.2918 6.77921 7.92216 13.4066 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 5.74635 6.85302 11.456 10.8286 14.6369 8.5672 14.7662 numMergedOcc 0
13 mol 207 unq 0 iso 0 dist 7.96797 5.12567 5.47626 11.0921 8.32218 12.2823 4.56899 8.78061 4.76113 14.0642 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 4.664 10.5857 8.85955 8.49509 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 5.22356 5.4694 6.91318 4.1511 5.28771 6.09335 4.69247 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 8.49509 10.5857 8.85955 4.664 numMergedOcc 0
17 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 5.22356 8.38865 5.23634 4.69247 5.28771 6.09335 4.1511 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.0191 6.66971 14.4013 10.4706 13.4758 4.66186 16.7443 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.32982 9.72188 13.0611 10.1648 6.4398 11.1002 10.4706 13.4758 4.66186 13.1408 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 5.71153 6.02757 9.78237 6.56539 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 5.70542 11.9664 9.70101 10.1301 numMergedOcc 0
22 mol 264 unq 2 iso 0 dist 7.52281 5.90924 7.36132 8.96144 6.42588 9.58916 6.87635 8.67231 9.95798 4.76241 numMergedOcc 0
23 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 6.56539 6.02757 9.78237 5.71153 numMergedOcc 0
24 mol 264 unq 4 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 10.1301 11.9664 9.70101 5.70542 numMergedOcc 0
25 mol 264 unq 5 iso 0 dist 6.42588 9.58916 7.36132 8.96144 7.52281 5.90924 4.76241 8.67231 9.95798 6.87635 numMergedOcc 0
26 mol 264 unq 6 iso 0 dist 6.04162 9.19754 5.82131 4.92077 6.14323 8.29262 11.4167 7.14086 9.78237 13.2035 numMergedOcc 0
27 mol 264 unq 7 iso 0 dist 6.14323 8.29262 5.82131 4.92077 6.04162 9.19754 13.2035 7.14086 9.78237 11.4167 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 6.59123 9.65707 10.4733 11.2997 13.6334 7.16209 9.4992 numMergedOcc 0
