0 mol 0 unq 0 iso 0 dist 9.42137 5.66453 6.26831 7.31837 5.24778 6.64713 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 7.46102 12.3138 7.3915 20.0755 14.1378 8.77457 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.46229 7.36079 7.05346 13.6879 8.50424 8.076 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.7522 14.6525 8.44506 9.44507 10.9837 9.5053 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.96265 8.17152 7.52117 12.7039 4.55437 7.03307 numMergedOcc 0
5 mol 44 unq 1 iso 0 dist 9.96265 8.17152 7.52117 10.8505 6.16231 7.25707 numMergedOcc 0
6 mol 44 unq 2 iso 0 dist 9.70459 10.0357 7.52117 13.31 4.55437 7.03307 numMergedOcc 0
7 mol 44 unq 3 iso 0 dist 9.70459 10.0357 7.52117 13.2328 6.16231 7.25707 numMergedOcc 0
8 mol 44 unq 4 iso 0 dist 7.78905 7.37043 7.52117 10.53 4.55437 7.03307 numMergedOcc 0
9 mol 44 unq 5 iso 0 dist 7.78905 7.37043 7.52117 11.7913 6.16231 7.25707 numMergedOcc 0
10 mol 44 unq 6 iso 0 dist 9.44909 6.36853 7.52117 9.45566 4.55437 7.03307 numMergedOcc 0
11 mol 44 unq 7 iso 0 dist 9.44909 6.36853 7.52117 12.3808 6.16231 7.25707 numMergedOcc 0
12 mol 56 unq 0 iso 0 dist 7.20538 9.91757 6.77886 15.6645 10.0962 6.99108 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 6.18305 11.4574 8.73253 9.54477 6.56633 6.48232 numMergedOcc 0
14 mol 76 unq 0 iso 0 dist 8.58841 5.25697 4.79949 7.75211 4.3931 6.66954 numMergedOcc 0
15 mol 76 unq 1 iso 0 dist 8.58841 10.7962 7.27693 14.8689 6.45686 9.75201 numMergedOcc 0
16 mol 92 unq 0 iso 0 dist 7.5819 7.07175 8.65802 10.5329 13.534 8.57827 numMergedOcc 0
17 mol 92 unq 1 iso 0 dist 7.5819 7.07175 8.65802 10.8943 5.83515 7.94453 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 5.9747 8.89866 7.26086 10.9995 7.06961 8.43352 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 4.50572 7.87523 7.26086 11.1541 7.06961 8.43352 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 7.15985 6.84906 8.729 5.42828 5.39346 9.77017 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 4.98864 5.01124 5.74857 6.66022 5.22052 8.85881 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.95871 7.39793 5.74857 11.2341 5.22052 8.85881 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 6.40546 6.64646 7.99623 8.4733 7.45148 9.9151 numMergedOcc 0
24 mol 120 unq 0 iso 0 dist 7.04864 4.63594 8.93905 8.73484 8.2619 6.03352 numMergedOcc 0
25 mol 126 unq 0 iso 0 dist 8.32241 5.93497 9.46588 8.97111 6.0268 5.94233 numMergedOcc 0
26 mol 126 unq 1 iso 0 dist 8.32241 5.93497 9.46588 9.44367 8.01268 8.56219 numMergedOcc 0
27 mol 131 unq 0 iso 0 dist 7.81337 6.99491 9.29384 12.2564 13.1439 5.44303 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 7.81337 6.99491 9.29384 15.1282 13.7237 8.50562 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.92932 8.2282 8.20836 12.1527 4.57832 9.30061 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 9.60369 4.02705 7.36779 11.9876 7.1797 9.30061 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 9.55556 4.02705 8.20836 11.9876 4.57832 9.30061 numMergedOcc 0
32 mol 154 unq 0 iso 0 dist 6.23399 9.97577 7.72144 10.5035 5.27847 6.51014 numMergedOcc 0
33 mol 162 unq 0 iso 0 dist 9.97921 5.5367 6.20182 12.0536 4.20425 7.14263 numMergedOcc 0
34 mol 162 unq 1 iso 0 dist 9.97921 5.5367 6.20182 8.63323 6.07158 8.57005 numMergedOcc 0
35 mol 162 unq 2 iso 0 dist 8.25167 5.49559 8.00506 11.8662 9.0783 8.21989 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 8.03995 9.52773 9.83476 12.1826 10.5063 4.5271 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 8.03995 9.52773 9.83476 12.123 14.4429 7.02575 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 7.0843 5.77167 6.29367 11.2005 4.92618 8.3087 numMergedOcc 0
39 mol 218 unq 1 iso 0 dist 7.0843 13.9605 8.86175 11.2005 4.92618 9.32945 numMergedOcc 0
40 mol 218 unq 2 iso 0 dist 7.73315 5.77167 5.76954 11.2005 7.84019 8.3087 numMergedOcc 0
41 mol 218 unq 3 iso 0 dist 7.73315 13.9605 6.29511 11.2005 7.84019 9.32945 numMergedOcc 0
42 mol 218 unq 4 iso 0 dist 6.9398 5.77167 9.20961 11.2005 10.9043 8.3087 numMergedOcc 0
43 mol 253 unq 0 iso 0 dist 5.89502 5.73565 7.77998 9.9605 5.78064 8.15091 numMergedOcc 0
44 mol 253 unq 1 iso 0 dist 7.15815 9.82329 7.77998 9.69704 5.78064 8.15091 numMergedOcc 0
45 mol 257 unq 0 iso 0 dist 9.83721 11.6666 9.69696 11.5317 6.74593 9.43042 numMergedOcc 0
46 mol 261 unq 0 iso 0 dist 8.65236 3.67304 5.26434 11.264 7.39176 8.61563 numMergedOcc 0
47 mol 261 unq 1 iso 0 dist 9.73983 3.67304 8.60026 11.264 12.8544 8.61563 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 9.77689 9.41779 6.57903 15.2129 6.28695 7.85414 numMergedOcc 0
49 mol 277 unq 1 iso 0 dist 8.51931 12.4389 6.57903 10.5 6.28695 7.85414 numMergedOcc 0
50 mol 282 unq 0 iso 0 dist 8.76638 3.73903 5.23193 10.9027 7.55098 8.53065 numMergedOcc 0
51 mol 282 unq 1 iso 0 dist 8.76638 3.73903 5.23193 10.5206 6.46616 8.67489 numMergedOcc 0
