0 mol 1 unq 0 iso 0 dist 8.26708 12.3378 8.31812 10.5521 7.73435 3.41028 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.26708 12.3378 8.31812 7.15595 5.71995 6.04733 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 6.09918 10.1354 8.31812 7.4817 7.73435 3.41028 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 6.09918 10.1354 8.31812 7.63941 5.71995 6.04733 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 9.78006 10.6533 6.20227 11.0722 5.55437 5.06967 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.60423 5.86882 5.47982 6.58998 9.38831 7.43716 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 7.83786 4.56797 5.47982 11.0493 9.38831 7.43716 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 4.93188 7.6222 4.87192 9.48345 9.40479 6.79243 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 4.93188 7.6222 4.87192 14.4162 9.58012 8.74779 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 9.24958 11.7026 4.87192 13.1456 9.40479 6.79243 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 9.24958 11.7026 4.87192 10.0655 9.58012 8.74779 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 8.86674 11.3507 8.40501 6.89636 8.48184 15.2357 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 8.86674 11.3507 8.40501 6.09514 9.01011 12.4203 numMergedOcc 0
13 mol 92 unq 2 iso 0 dist 8.86674 7.84987 9.82156 6.89636 8.48184 9.24742 numMergedOcc 0
14 mol 92 unq 3 iso 0 dist 8.86674 7.84987 9.82156 6.09514 9.01011 13.1109 numMergedOcc 0
15 mol 92 unq 4 iso 0 dist 8.65802 5.44942 9.93806 12.1157 8.03028 11.8358 numMergedOcc 0
16 mol 92 unq 5 iso 0 dist 8.65802 5.44942 9.93806 7.23437 7.39754 10.439 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.67766 9.44195 7.04752 11.8348 9.92553 14.3419 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 8.0831 4.26194 7.04752 15.0307 9.92553 14.3419 numMergedOcc 0
19 mol 119 unq 0 iso 0 dist 7.99857 4.55137 8.81779 4.99056 8.03035 8.58511 numMergedOcc 0
20 mol 119 unq 1 iso 0 dist 8.56342 6.42493 8.81779 3.78311 8.03035 8.58511 numMergedOcc 0
21 mol 140 unq 0 iso 0 dist 8.64368 9.0558 7.53759 5.11372 5.39314 5.91631 numMergedOcc 0
22 mol 140 unq 1 iso 0 dist 8.64368 9.0558 7.53759 4.46582 5.3573 8.06296 numMergedOcc 0
23 mol 162 unq 0 iso 0 dist 6.20182 5.05715 6.00293 6.69868 8.53374 11.092 numMergedOcc 0
24 mol 163 unq 0 iso 0 dist 8.38738 10.1139 7.27002 6.94217 7.3546 5.57459 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 7.71426 8.62666 7.75632 4.44751 7.82546 5.76368 numMergedOcc 0
26 mol 171 unq 1 iso 0 dist 5.10618 11.8746 7.75632 9.61561 7.82546 5.76368 numMergedOcc 0
27 mol 171 unq 2 iso 0 dist 9.86681 9.0509 7.75632 10.2067 7.82546 5.76368 numMergedOcc 0
28 mol 175 unq 0 iso 0 dist 8.0154 13.4456 6.59925 12.3408 7.32419 3.87881 numMergedOcc 0
29 mol 175 unq 1 iso 0 dist 8.0154 13.4456 6.59925 8.68081 8.31961 9.0465 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 6.26839 11.1912 7.39369 6.66155 5.52678 6.2135 numMergedOcc 0
31 mol 194 unq 1 iso 0 dist 6.26839 11.1912 7.39369 5.4499 9.81666 13.7 numMergedOcc 0
32 mol 194 unq 2 iso 0 dist 8.12346 6.11279 7.39369 6.12973 5.52678 6.2135 numMergedOcc 0
33 mol 194 unq 3 iso 0 dist 8.12346 6.11279 7.39369 11.0239 9.81666 13.7 numMergedOcc 0
34 mol 194 unq 4 iso 0 dist 8.83356 9.99597 7.39369 13.0333 5.52678 6.2135 numMergedOcc 0
35 mol 194 unq 5 iso 0 dist 8.83356 9.99597 7.39369 18.6469 9.81666 13.7 numMergedOcc 0
36 mol 194 unq 6 iso 0 dist 8.2654 9.50345 7.39369 10.1796 5.52678 6.2135 numMergedOcc 0
37 mol 194 unq 7 iso 0 dist 8.2654 9.50345 7.39369 13.5457 9.81666 13.7 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 8.0751 7.79008 6.45821 7.85475 8.22792 12.0728 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 6.6561 10.225 9.33639 4.76151 6.53728 9.7379 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 8.87609 11.7207 9.18343 11.5135 6.53728 15.612 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 8.38865 6.21901 7.14633 10.5813 9.56257 13.4732 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 8.38865 13.798 9.94302 10.5813 9.56257 6.30626 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 5.4694 6.29394 7.14633 7.22396 9.56257 13.4732 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 5.4694 10.9445 9.94302 7.22396 9.56257 6.30626 numMergedOcc 0
45 mol 240 unq 0 iso 0 dist 9.47583 11.6095 7.35934 10.6074 9.53915 7.15087 numMergedOcc 0
46 mol 240 unq 1 iso 0 dist 8.44909 11.9494 7.35934 9.23135 9.53915 7.15087 numMergedOcc 0
47 mol 251 unq 0 iso 0 dist 8.01198 7.703 6.12282 6.6269 8.53757 6.84219 numMergedOcc 0
48 mol 252 unq 0 iso 0 dist 6.86945 3.6688 8.62955 7.63376 8.55481 7.10224 numMergedOcc 0
49 mol 258 unq 0 iso 0 dist 6.70815 9.34197 8.65191 6.6525 6.47194 3.42387 numMergedOcc 0
50 mol 258 unq 1 iso 0 dist 7.99477 8.40328 8.65191 5.27959 6.47194 3.42387 numMergedOcc 0
