0 mol 1 unq 0 iso 0 dist 5.65716 11.1504 7.73435 12.6791 7.94662 9.12196 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.93613 6.49896 5.55437 10.068 6.119 7.05346 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 5.99711 5.55187 5.38458 10.1307 10.4817 7.9944 numMergedOcc 0
3 mol 9 unq 2 iso 0 dist 5.99711 5.55187 5.38458 10.1367 7.51034 7.032 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.70141 12.8473 9.40479 12.511 11.2106 6.72502 numMergedOcc 0
5 mol 55 unq 0 iso 0 dist 8.37544 10.9801 6.13181 12.066 4.97078 9.78051 numMergedOcc 0
6 mol 55 unq 1 iso 0 dist 4.92955 5.85716 6.13181 9.79034 4.97078 9.78051 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 7.49224 11.6623 9.92553 17.2949 11.8348 8.67766 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 7.49224 11.6623 9.92553 18.0802 15.0307 8.0831 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 7.85653 10.1665 6.98813 13.3811 8.83949 5.39064 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 7.85653 5.62223 5.39314 9.6224 5.11372 8.64368 numMergedOcc 0
11 mol 140 unq 2 iso 0 dist 7.5639 5.62223 5.3573 9.6224 4.46582 8.64368 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 8.12896 12.3276 8.23605 11.6669 3.89889 8.5043 numMergedOcc 0
13 mol 163 unq 1 iso 0 dist 8.88092 5.83597 8.23605 10.1012 3.89889 8.5043 numMergedOcc 0
14 mol 163 unq 2 iso 0 dist 9.3832 16.5085 7.3546 13.816 6.94217 8.38738 numMergedOcc 0
15 mol 163 unq 3 iso 0 dist 6.0247 6.56076 7.3546 11.6021 6.94217 8.38738 numMergedOcc 0
16 mol 163 unq 4 iso 0 dist 6.40873 9.55758 7.3546 13.0625 6.94217 8.38738 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 7.68295 14.0377 9.75627 10.1874 8.26419 9.11712 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.08628 14.8387 7.32419 10.4663 4.24624 5.4969 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 9.08628 11.9554 8.31961 10.4663 4.24624 6.4318 numMergedOcc 0
20 mol 175 unq 2 iso 0 dist 8.35581 13.6171 7.32419 12.4136 4.24624 5.4969 numMergedOcc 0
21 mol 175 unq 3 iso 0 dist 8.35581 13.6238 8.31961 12.4136 4.24624 6.4318 numMergedOcc 0
22 mol 175 unq 4 iso 0 dist 6.72569 10.2269 7.32419 10.1817 4.24624 5.4969 numMergedOcc 0
23 mol 175 unq 5 iso 0 dist 6.72569 10.4606 8.31961 10.1817 4.24624 6.4318 numMergedOcc 0
24 mol 175 unq 6 iso 0 dist 8.4673 6.61278 7.32419 12.4261 12.3408 8.0154 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.93045 9.52773 8.12349 8.03995 6.87725 9.83476 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.72444 5.77167 8.93185 7.0843 6.90702 6.29367 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 5.72444 5.77167 8.93185 7.73315 10.4526 5.76954 numMergedOcc 0
28 mol 218 unq 2 iso 0 dist 5.72444 5.77167 8.93185 6.9398 8.94041 9.20961 numMergedOcc 0
29 mol 218 unq 3 iso 0 dist 5.72444 7.54799 8.22792 11.8887 7.85475 8.0751 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 8.28454 7.01029 6.53728 10.689 4.76151 6.6561 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.12518 9.41039 9.56257 15 11.0628 8.03442 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 9.80232 8.55836 7.31113 12.4717 6.46131 9.4811 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 9.80232 8.55836 7.31113 14.0442 9.59927 6.50471 numMergedOcc 0
34 mol 237 unq 2 iso 0 dist 9.80232 6.08522 9.84466 9.5822 13.1083 7.42587 numMergedOcc 0
35 mol 237 unq 3 iso 0 dist 6.18606 8.55836 8.10263 12.4717 6.89616 9.4811 numMergedOcc 0
36 mol 237 unq 4 iso 0 dist 6.18606 8.55836 8.10263 14.0442 10.7975 6.50471 numMergedOcc 0
37 mol 237 unq 5 iso 0 dist 6.18606 6.08522 6.16557 9.5822 6.23145 7.42587 numMergedOcc 0
38 mol 258 unq 0 iso 0 dist 8.15795 4.88527 6.47194 10.6749 6.6525 6.70815 numMergedOcc 0
39 mol 258 unq 1 iso 0 dist 8.15795 4.88527 6.47194 11.4077 5.27959 7.99477 numMergedOcc 0
40 mol 258 unq 2 iso 0 dist 8.78354 6.73942 6.47194 15.0351 7.42673 9.53063 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 8.28871 5.7394 5.74568 7.36905 4.48907 7.52281 numMergedOcc 0
42 mol 264 unq 1 iso 0 dist 8.28871 5.7394 5.74568 6.83408 10.1591 6.42588 numMergedOcc 0
43 mol 264 unq 2 iso 0 dist 7.94668 6.63115 5.74568 11.1873 4.48907 7.52281 numMergedOcc 0
44 mol 264 unq 3 iso 0 dist 7.94668 6.63115 5.74568 10.6712 10.1591 6.42588 numMergedOcc 0
45 mol 294 unq 0 iso 0 dist 9.2542 12.0758 7.41079 18.1493 12.0308 9.13907 numMergedOcc 0
