0 mol 0 unq 0 iso 0 dist 8.79328 10.4684 8.24206 3.81329 6.19218 9.98828 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.79328 3.81329 6.19218 10.4684 8.24206 9.98828 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.10071 9.99699 8.13653 9.97805 5.44539 4.57786 numMergedOcc 0
3 mol 54 unq 0 iso 1 dist 8.10071 9.97805 5.44539 9.99699 8.13653 4.57786 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.83243 9.99834 8.50054 13.7645 7.47653 5.90718 numMergedOcc 0
5 mol 130 unq 0 iso 1 dist 9.83243 13.7645 7.47653 9.99834 8.50054 5.90718 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 9.83243 9.99834 8.50054 16.8419 8.97124 8.99904 numMergedOcc 0
7 mol 130 unq 1 iso 1 dist 9.83243 16.8419 8.97124 9.99834 8.50054 8.99904 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 9.83243 13.7645 7.47653 16.8419 8.97124 4.80422 numMergedOcc 0
9 mol 130 unq 1 iso 1 dist 9.83243 16.8419 8.97124 13.7645 7.47653 4.80422 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.72732 10.5918 5.12189 5.48547 7.50126 11.0817 numMergedOcc 0
11 mol 133 unq 0 iso 1 dist 8.72732 5.48547 7.50126 10.5918 5.12189 11.0817 numMergedOcc 0
12 mol 146 unq 0 iso 0 dist 6.70014 7.8992 5.36826 11.0704 8.50225 4.69216 numMergedOcc 0
13 mol 146 unq 0 iso 1 dist 6.70014 11.0704 8.50225 7.8992 5.36826 4.69216 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 8.11014 13.0222 9.45847 10.629 7.895 17.2664 numMergedOcc 0
15 mol 184 unq 0 iso 1 dist 8.11014 10.629 7.895 13.0222 9.45847 17.2664 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.95322 7.51111 8.63033 5.96396 8.02214 7.07077 numMergedOcc 0
17 mol 206 unq 0 iso 1 dist 9.95322 5.96396 8.02214 7.51111 8.63033 7.07077 numMergedOcc 0
18 mol 223 unq 0 iso 0 dist 9.10041 15.4738 9.29204 14.4135 9.14789 4.44825 numMergedOcc 0
19 mol 223 unq 0 iso 1 dist 9.10041 14.4135 9.14789 15.4738 9.29204 4.44825 numMergedOcc 0
20 mol 223 unq 1 iso 0 dist 9.10041 15.4738 9.29204 6.59509 7.80764 16.0208 numMergedOcc 0
21 mol 223 unq 1 iso 1 dist 9.10041 6.59509 7.80764 15.4738 9.29204 16.0208 numMergedOcc 0
22 mol 223 unq 2 iso 0 dist 9.10041 15.4738 9.29204 11.687 5.75896 11.898 numMergedOcc 0
23 mol 223 unq 2 iso 1 dist 9.10041 11.687 5.75896 15.4738 9.29204 11.898 numMergedOcc 0
24 mol 223 unq 1 iso 0 dist 9.10041 14.4135 9.14789 6.59509 7.80764 16.2327 numMergedOcc 0
25 mol 223 unq 1 iso 1 dist 9.10041 6.59509 7.80764 14.4135 9.14789 16.2327 numMergedOcc 0
26 mol 223 unq 2 iso 0 dist 9.10041 14.4135 9.14789 11.687 5.75896 13.5741 numMergedOcc 0
27 mol 223 unq 2 iso 1 dist 9.10041 11.687 5.75896 14.4135 9.14789 13.5741 numMergedOcc 0
28 mol 223 unq 2 iso 0 dist 9.10041 6.59509 7.80764 11.687 5.75896 7.12929 numMergedOcc 0
29 mol 223 unq 2 iso 1 dist 9.10041 11.687 5.75896 6.59509 7.80764 7.12929 numMergedOcc 0
30 mol 233 unq 0 iso 0 dist 5.79204 4.97917 6.72499 5.02653 7.21238 5.21384 numMergedOcc 0
31 mol 233 unq 0 iso 1 dist 5.79204 5.02653 7.21238 4.97917 6.72499 5.21384 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 6.17408 12.3365 9.09835 9.92669 7.21466 5.24285 numMergedOcc 0
33 mol 239 unq 0 iso 1 dist 6.17408 9.92669 7.21466 12.3365 9.09835 5.24285 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 6.17602 13.2575 9.09835 12.0265 7.21466 5.24285 numMergedOcc 0
35 mol 239 unq 1 iso 1 dist 6.17602 12.0265 7.21466 13.2575 9.09835 5.24285 numMergedOcc 0
36 mol 249 unq 0 iso 0 dist 6.68963 4.58432 6.18866 5.29321 9.3807 5.2966 numMergedOcc 0
37 mol 249 unq 0 iso 1 dist 6.68963 5.29321 9.3807 4.58432 6.18866 5.2966 numMergedOcc 0
38 mol 249 unq 1 iso 0 dist 9.19506 11.0413 7.58833 6.40966 9.04715 7.46941 numMergedOcc 0
39 mol 249 unq 1 iso 1 dist 9.19506 6.40966 9.04715 11.0413 7.58833 7.46941 numMergedOcc 0
40 mol 250 unq 0 iso 0 dist 8.27072 9.42092 8.38141 7.36533 5.08366 5.01048 numMergedOcc 0
41 mol 250 unq 0 iso 1 dist 8.27072 7.36533 5.08366 9.42092 8.38141 5.01048 numMergedOcc 0
42 mol 250 unq 1 iso 0 dist 8.27072 9.42092 8.38141 4.40387 8.18086 12.269 numMergedOcc 0
43 mol 250 unq 1 iso 1 dist 8.27072 4.40387 8.18086 9.42092 8.38141 12.269 numMergedOcc 0
44 mol 250 unq 1 iso 0 dist 8.27072 7.36533 5.08366 4.40387 8.18086 9.8248 numMergedOcc 0
45 mol 250 unq 1 iso 1 dist 8.27072 4.40387 8.18086 7.36533 5.08366 9.8248 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 8.88518 3.7042 6.08181 13.1596 7.70189 9.86352 numMergedOcc 0
47 mol 258 unq 0 iso 1 dist 8.88518 13.1596 7.70189 3.7042 6.08181 9.86352 numMergedOcc 0
48 mol 265 unq 0 iso 0 dist 8.43749 13.7732 9.56472 11.9238 6.5072 10.1588 numMergedOcc 0
49 mol 265 unq 0 iso 1 dist 8.43749 11.9238 6.5072 13.7732 9.56472 10.1588 numMergedOcc 0
50 mol 265 unq 1 iso 0 dist 8.43749 13.7732 9.56472 6.97261 4.03921 13.1954 numMergedOcc 0
51 mol 265 unq 1 iso 1 dist 8.43749 6.97261 4.03921 13.7732 9.56472 13.1954 numMergedOcc 0
52 mol 265 unq 1 iso 0 dist 8.43749 11.9238 6.5072 6.97261 4.03921 7.82127 numMergedOcc 0
53 mol 265 unq 1 iso 1 dist 8.43749 6.97261 4.03921 11.9238 6.5072 7.82127 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 7.07099 14.7313 9.63694 7.14057 6.58277 15.3443 numMergedOcc 0
55 mol 266 unq 0 iso 1 dist 7.07099 7.14057 6.58277 14.7313 9.63694 15.3443 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 7.14304 10.8484 9.07452 4.33461 7.21004 10.3541 numMergedOcc 0
57 mol 274 unq 0 iso 1 dist 7.14304 4.33461 7.21004 10.8484 9.07452 10.3541 numMergedOcc 0
58 mol 280 unq 0 iso 0 dist 7.61357 13.0755 8.57733 15.1044 9.05509 6.17591 numMergedOcc 0
59 mol 280 unq 0 iso 1 dist 7.61357 15.1044 9.05509 13.0755 8.57733 6.17591 numMergedOcc 0
60 mol 285 unq 0 iso 0 dist 7.85044 5.71221 8.70702 9.42148 9.43706 14.1636 numMergedOcc 0
61 mol 285 unq 0 iso 1 dist 7.85044 9.42148 9.43706 5.71221 8.70702 14.1636 numMergedOcc 0
62 mol 285 unq 1 iso 0 dist 7.85044 5.71221 8.70702 14.2125 9.3482 14.0317 numMergedOcc 0
63 mol 285 unq 1 iso 1 dist 7.85044 14.2125 9.3482 5.71221 8.70702 14.0317 numMergedOcc 0
64 mol 285 unq 1 iso 0 dist 7.85044 9.42148 9.43706 14.2125 9.3482 16.6298 numMergedOcc 0
65 mol 285 unq 1 iso 1 dist 7.85044 14.2125 9.3482 9.42148 9.43706 16.6298 numMergedOcc 0
