0 mol 5 unq 0 iso 0 dist 8.42711 9.46768 9.04537 10.7627 8.53338 6.11683 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.30028 11.4549 9.04537 14.918 8.53338 6.11683 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 7.28226 9.20676 8.81183 7.42347 9.51347 13.3322 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 6.29966 4.43985 7.52802 6.87606 7.96745 10.831 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 6.29966 4.43985 7.52802 8.87911 9.71442 6.4191 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 6.29966 4.43985 7.52802 6.33597 8.99379 8.96461 numMergedOcc 0
6 mol 108 unq 3 iso 0 dist 6.29966 10.9562 8.1971 6.87606 7.96745 15.1748 numMergedOcc 0
7 mol 108 unq 4 iso 0 dist 6.29966 10.9562 8.1971 8.87911 9.71442 14.3988 numMergedOcc 0
8 mol 108 unq 5 iso 0 dist 6.29966 10.9562 8.1971 6.33597 8.99379 9.68713 numMergedOcc 0
9 mol 108 unq 6 iso 0 dist 6.29966 13.0702 7.84262 6.87606 7.96745 15.7154 numMergedOcc 0
10 mol 108 unq 7 iso 0 dist 6.29966 13.0702 7.84262 8.87911 9.71442 12.7432 numMergedOcc 0
11 mol 108 unq 8 iso 0 dist 6.29966 13.0702 7.84262 6.33597 8.99379 14.5857 numMergedOcc 0
12 mol 108 unq 9 iso 0 dist 9.31725 9.15007 7.52802 9.85061 7.96745 10.831 numMergedOcc 0
13 mol 108 unq 10 iso 0 dist 9.31725 9.15007 7.52802 4.80777 9.71442 6.4191 numMergedOcc 0
14 mol 108 unq 11 iso 0 dist 9.31725 9.15007 7.52802 15.4708 8.99379 8.96461 numMergedOcc 0
15 mol 108 unq 12 iso 0 dist 9.31725 16.2146 8.1971 9.85061 7.96745 15.1748 numMergedOcc 0
16 mol 108 unq 13 iso 0 dist 9.31725 16.2146 8.1971 4.80777 9.71442 14.3988 numMergedOcc 0
17 mol 108 unq 14 iso 0 dist 9.31725 16.2146 8.1971 15.4708 8.99379 9.68713 numMergedOcc 0
18 mol 108 unq 15 iso 0 dist 9.31725 13.816 7.84262 9.85061 7.96745 15.7154 numMergedOcc 0
19 mol 108 unq 16 iso 0 dist 9.31725 13.816 7.84262 4.80777 9.71442 12.7432 numMergedOcc 0
20 mol 108 unq 17 iso 0 dist 9.31725 13.816 7.84262 15.4708 8.99379 14.5857 numMergedOcc 0
21 mol 108 unq 18 iso 0 dist 9.57358 9.33094 7.52802 6.69989 7.96745 10.831 numMergedOcc 0
22 mol 108 unq 19 iso 0 dist 9.57358 9.33094 7.52802 7.57371 9.71442 6.4191 numMergedOcc 0
23 mol 108 unq 20 iso 0 dist 9.57358 9.33094 7.52802 13.6564 8.99379 8.96461 numMergedOcc 0
24 mol 108 unq 21 iso 0 dist 9.57358 16.9607 8.1971 6.69989 7.96745 15.1748 numMergedOcc 0
25 mol 108 unq 22 iso 0 dist 9.57358 16.9607 8.1971 7.57371 9.71442 14.3988 numMergedOcc 0
26 mol 108 unq 23 iso 0 dist 9.57358 16.9607 8.1971 13.6564 8.99379 9.68713 numMergedOcc 0
27 mol 108 unq 24 iso 0 dist 9.57358 16.0071 7.84262 6.69989 7.96745 15.7154 numMergedOcc 0
28 mol 108 unq 25 iso 0 dist 9.57358 16.0071 7.84262 7.57371 9.71442 12.7432 numMergedOcc 0
29 mol 108 unq 26 iso 0 dist 9.57358 16.0071 7.84262 13.6564 8.99379 14.5857 numMergedOcc 0
30 mol 108 unq 27 iso 0 dist 5.38329 9.28947 7.52802 6.01373 7.96745 10.831 numMergedOcc 0
31 mol 108 unq 28 iso 0 dist 5.38329 9.28947 7.52802 13.2537 9.71442 6.4191 numMergedOcc 0
32 mol 108 unq 29 iso 0 dist 5.38329 9.28947 7.52802 5.34195 8.99379 8.96461 numMergedOcc 0
33 mol 108 unq 30 iso 0 dist 5.38329 9.97408 8.1971 6.01373 7.96745 15.1748 numMergedOcc 0
34 mol 108 unq 31 iso 0 dist 5.38329 9.97408 8.1971 13.2537 9.71442 14.3988 numMergedOcc 0
35 mol 108 unq 32 iso 0 dist 5.38329 9.97408 8.1971 5.34195 8.99379 9.68713 numMergedOcc 0
36 mol 108 unq 33 iso 0 dist 5.38329 12.4008 7.84262 6.01373 7.96745 15.7154 numMergedOcc 0
37 mol 108 unq 34 iso 0 dist 5.38329 12.4008 7.84262 13.2537 9.71442 12.7432 numMergedOcc 0
38 mol 108 unq 35 iso 0 dist 5.38329 12.4008 7.84262 5.34195 8.99379 14.5857 numMergedOcc 0
39 mol 165 unq 0 iso 0 dist 6.35749 5.05659 5.5411 11.1726 9.00812 7.74322 numMergedOcc 0
40 mol 183 unq 0 iso 0 dist 9.11445 7.30913 9.59741 9.95847 9.99089 4.76844 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 9.4588 9.55305 8.43722 12.1694 9.05979 8.13761 numMergedOcc 0
42 mol 188 unq 0 iso 0 dist 5.4981 6.28664 9.68317 6.22466 5.77968 7.16694 numMergedOcc 0
43 mol 248 unq 0 iso 0 dist 6.80314 10.1019 9.39764 6.18422 7.21518 12.2076 numMergedOcc 0
44 mol 257 unq 0 iso 0 dist 8.42116 13.3046 6.75578 6.8744 7.66693 14.3627 numMergedOcc 0
45 mol 257 unq 1 iso 0 dist 8.42116 15.9268 9.29499 6.8744 7.66693 15.9608 numMergedOcc 0
46 mol 257 unq 2 iso 0 dist 8.53984 11.62 6.75578 9.55622 7.66693 14.3627 numMergedOcc 0
47 mol 257 unq 3 iso 0 dist 8.53984 13.4207 9.29499 9.55622 7.66693 15.9608 numMergedOcc 0
48 mol 284 unq 0 iso 0 dist 8.45487 5.61341 9.08764 15.1026 9.0112 13.1679 numMergedOcc 0
49 mol 284 unq 1 iso 0 dist 8.72299 5.28356 9.08764 12.7388 9.0112 13.1679 numMergedOcc 0
