0 mol 24 unq 0 iso 0 dist 6.72502 8.09311 9.94429 4.79736 11.2038 7.77964 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.90155 4.79873 6.86525 5.63212 12.3361 7.44277 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.6492 6.55597 8.89681 6.47509 12.8378 8.07318 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 10.8828 7.24352 8.34145 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.07458 7.24352 8.34145 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 11.4153 11.8517 9.50614 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 8.44903 6.66407 4.69849 4.96926 7.15901 8.34145 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 9.67727 13.8403 8.77529 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 6.77886 9.03564 10.5332 9.96534 15.4669 8.77529 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 8.64015 6.56212 4.88345 6.08003 7.17026 8.66724 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.85586 5.5087 5.50891 6.41115 9.28577 8.46627 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 8.85586 6.08682 4.75954 6.41115 9.28577 9.22208 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 5.16364 5.61588 5.50891 5.9144 9.28577 8.46627 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 5.16364 7.83244 4.75954 5.9144 9.28577 9.22208 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 7.11 5.5087 7.50869 6.41115 11.9068 8.46627 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 7.11 6.08682 3.6807 6.41115 11.9068 9.22208 numMergedOcc 0
16 mol 76 unq 0 iso 0 dist 4.79949 9.85905 11.0792 15.4159 17.7033 9.59729 numMergedOcc 0
17 mol 76 unq 1 iso 0 dist 7.27693 9.85905 6.48293 15.4159 15.0426 9.59729 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 6.95017 12.4442 8.89015 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 10.9531 17.0216 9.09348 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 5.34214 7.07971 6.8409 5.00433 9.78192 9.09348 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 6.01673 10.6602 7.65564 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 8.03372 5.58833 7.06894 6.16616 13.4823 8.25397 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 7.21225 6.5739 7.5573 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 7.36779 9.66543 4.935 4.46337 5.11043 8.62504 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 8.20836 7.21868 4.935 7.41373 5.11043 8.62504 numMergedOcc 0
26 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 13.2918 6.77921 7.92216 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 4.78563 13.1913 9.29944 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 7.63338 5.40637 8.4697 4.78563 10.6706 9.29944 numMergedOcc 0
29 mol 143 unq 2 iso 0 dist 9.03707 5.40637 5.41614 4.78563 10.8457 9.29944 numMergedOcc 0
30 mol 143 unq 3 iso 0 dist 7.25673 5.40637 6.78032 4.78563 8.612 9.29944 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 10.8286 14.6369 8.5672 numMergedOcc 0
32 mol 207 unq 0 iso 0 dist 8.85547 5.12567 5.34977 4.56899 10.0653 4.76113 numMergedOcc 0
33 mol 207 unq 1 iso 0 dist 7.96797 5.12567 5.47626 4.56899 8.78061 4.76113 numMergedOcc 0
34 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 16.8346 13.6759 9.43017 numMergedOcc 0
35 mol 225 unq 0 iso 0 dist 6.6561 8.14831 11.2847 6.28241 11.3657 6.46405 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 4.664 10.5857 8.85955 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 4.1511 5.28771 6.09335 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 8.49509 10.5857 8.85955 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 4.69247 5.28771 6.09335 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.4706 13.4758 4.66186 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 5.71153 6.02757 9.78237 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 5.70542 11.9664 9.70101 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 7.52281 5.90924 7.36132 6.87635 8.67231 9.95798 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 6.56539 6.02757 9.78237 numMergedOcc 0
45 mol 264 unq 4 iso 0 dist 6.42588 9.58916 7.36132 10.1301 11.9664 9.70101 numMergedOcc 0
46 mol 264 unq 5 iso 0 dist 6.42588 9.58916 7.36132 4.76241 8.67231 9.95798 numMergedOcc 0
47 mol 264 unq 6 iso 0 dist 6.04162 9.19754 5.82131 11.4167 7.14086 9.78237 numMergedOcc 0
48 mol 264 unq 7 iso 0 dist 6.14323 8.29262 5.82131 13.2035 7.14086 9.78237 numMergedOcc 0
49 mol 277 unq 0 iso 0 dist 6.57903 9.57499 14.6871 11.2997 13.6334 7.16209 numMergedOcc 0
