0 mol 28 unq 0 iso 0 dist 9.32784 6.11529 8.24422 11.7002 8.99724 5.89728 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 9.32784 11.7002 8.99724 6.11529 8.24422 5.89728 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.47638 4.87451 6.84257 12.8406 9.21102 8.58626 numMergedOcc 0
3 mol 37 unq 0 iso 1 dist 7.47638 12.8406 9.21102 4.87451 6.84257 8.58626 numMergedOcc 0
4 mol 39 unq 0 iso 0 dist 7.95922 6.01377 8.86053 11.0291 8.76925 10.2931 numMergedOcc 0
5 mol 39 unq 0 iso 1 dist 7.95922 11.0291 8.76925 6.01377 8.86053 10.2931 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.22514 4.11549 6.29755 8.12687 7.4038 5.58256 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 4.22514 8.12687 7.4038 4.11549 6.29755 5.58256 numMergedOcc 0
8 mol 96 unq 0 iso 0 dist 9.63062 9.09553 9.06717 12.9876 9.579 6.20878 numMergedOcc 0
9 mol 96 unq 0 iso 1 dist 9.63062 12.9876 9.579 9.09553 9.06717 6.20878 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.87984 16.6598 7.88143 12.958 6.62952 8.21408 numMergedOcc 0
11 mol 98 unq 0 iso 1 dist 8.87984 12.958 6.62952 16.6598 7.88143 8.21408 numMergedOcc 0
12 mol 99 unq 0 iso 0 dist 8.6659 6.39308 9.39801 6.04335 4.82346 9.73996 numMergedOcc 0
13 mol 99 unq 0 iso 1 dist 8.6659 6.04335 4.82346 6.39308 9.39801 9.73996 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 8.6659 6.39308 9.39801 6.13115 8.89165 10.6378 numMergedOcc 0
15 mol 99 unq 1 iso 1 dist 8.6659 6.13115 8.89165 6.39308 9.39801 10.6378 numMergedOcc 0
16 mol 99 unq 1 iso 0 dist 8.6659 6.04335 4.82346 6.13115 8.89165 4.41001 numMergedOcc 0
17 mol 99 unq 1 iso 1 dist 8.6659 6.13115 8.89165 6.04335 4.82346 4.41001 numMergedOcc 0
18 mol 99 unq 2 iso 0 dist 8.4731 6.39308 6.02154 6.04335 8.07233 9.73996 numMergedOcc 0
19 mol 99 unq 2 iso 1 dist 8.4731 6.04335 8.07233 6.39308 6.02154 9.73996 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.55581 6.14253 5.92836 4.88407 4.73804 4.43841 numMergedOcc 0
21 mol 133 unq 0 iso 1 dist 7.55581 4.88407 4.73804 6.14253 5.92836 4.43841 numMergedOcc 0
22 mol 140 unq 0 iso 0 dist 8.6371 4.46614 6.55217 4.74205 7.21686 5.17212 numMergedOcc 0
23 mol 140 unq 0 iso 1 dist 8.6371 4.74205 7.21686 4.46614 6.55217 5.17212 numMergedOcc 0
24 mol 151 unq 0 iso 0 dist 8.70668 10.3714 7.93343 8.25671 5.89468 4.78271 numMergedOcc 0
25 mol 151 unq 0 iso 1 dist 8.70668 8.25671 5.89468 10.3714 7.93343 4.78271 numMergedOcc 0
26 mol 165 unq 0 iso 0 dist 6.62466 7.20315 7.8052 5.0887 8.20329 4.94677 numMergedOcc 0
27 mol 165 unq 0 iso 1 dist 6.62466 5.0887 8.20329 7.20315 7.8052 4.94677 numMergedOcc 0
28 mol 172 unq 0 iso 0 dist 9.40213 11.0444 5.28889 9.70426 4.90175 10.1227 numMergedOcc 0
29 mol 172 unq 0 iso 1 dist 9.40213 9.70426 4.90175 11.0444 5.28889 10.1227 numMergedOcc 0
30 mol 172 unq 1 iso 0 dist 8.75042 7.0455 5.28889 12.33 4.90175 10.1227 numMergedOcc 0
31 mol 172 unq 1 iso 1 dist 8.75042 12.33 4.90175 7.0455 5.28889 10.1227 numMergedOcc 0
32 mol 174 unq 0 iso 0 dist 8.01462 9.45299 9.56869 5.34155 7.37131 5.33032 numMergedOcc 0
33 mol 174 unq 0 iso 1 dist 8.01462 5.34155 7.37131 9.45299 9.56869 5.33032 numMergedOcc 0
34 mol 203 unq 0 iso 0 dist 8.02341 7.84676 9.47882 4.31543 8.60067 11.2093 numMergedOcc 0
35 mol 203 unq 0 iso 1 dist 8.02341 4.31543 8.60067 7.84676 9.47882 11.2093 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 7.11407 4.88654 6.53354 11.4035 6.93798 8.33312 numMergedOcc 0
37 mol 283 unq 0 iso 1 dist 7.11407 11.4035 6.93798 4.88654 6.53354 8.33312 numMergedOcc 0
38 mol 287 unq 0 iso 0 dist 8.01428 14.4188 9.30394 10.5276 8.5458 8.60638 numMergedOcc 0
39 mol 287 unq 0 iso 1 dist 8.01428 10.5276 8.5458 14.4188 9.30394 8.60638 numMergedOcc 0
40 mol 287 unq 1 iso 0 dist 8.01428 14.4188 9.30394 8.40959 8.47385 12.7579 numMergedOcc 0
41 mol 287 unq 1 iso 1 dist 8.01428 8.40959 8.47385 14.4188 9.30394 12.7579 numMergedOcc 0
42 mol 287 unq 2 iso 0 dist 8.01428 14.4188 9.30394 6.45653 8.44356 17.1913 numMergedOcc 0
43 mol 287 unq 2 iso 1 dist 8.01428 6.45653 8.44356 14.4188 9.30394 17.1913 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 8.01428 10.5276 8.5458 8.40959 8.47385 4.9954 numMergedOcc 0
45 mol 287 unq 1 iso 1 dist 8.01428 8.40959 8.47385 10.5276 8.5458 4.9954 numMergedOcc 0
46 mol 287 unq 2 iso 0 dist 8.01428 10.5276 8.5458 6.45653 8.44356 12.5806 numMergedOcc 0
47 mol 287 unq 2 iso 1 dist 8.01428 6.45653 8.44356 10.5276 8.5458 12.5806 numMergedOcc 0
48 mol 287 unq 2 iso 0 dist 8.01428 8.40959 8.47385 6.45653 8.44356 8.72516 numMergedOcc 0
49 mol 287 unq 2 iso 1 dist 8.01428 6.45653 8.44356 8.40959 8.47385 8.72516 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.01428 14.4188 9.30394 10.5276 8.5458 8.60638 numMergedOcc 0
51 mol 288 unq 0 iso 1 dist 8.01428 10.5276 8.5458 14.4188 9.30394 8.60638 numMergedOcc 0
52 mol 288 unq 1 iso 0 dist 8.01428 14.4188 9.30394 8.40959 8.47385 12.7579 numMergedOcc 0
53 mol 288 unq 1 iso 1 dist 8.01428 8.40959 8.47385 14.4188 9.30394 12.7579 numMergedOcc 0
54 mol 288 unq 2 iso 0 dist 8.01428 14.4188 9.30394 6.45653 8.44356 17.1913 numMergedOcc 0
55 mol 288 unq 2 iso 1 dist 8.01428 6.45653 8.44356 14.4188 9.30394 17.1913 numMergedOcc 0
56 mol 288 unq 1 iso 0 dist 8.01428 10.5276 8.5458 8.40959 8.47385 4.9954 numMergedOcc 0
57 mol 288 unq 1 iso 1 dist 8.01428 8.40959 8.47385 10.5276 8.5458 4.9954 numMergedOcc 0
58 mol 288 unq 2 iso 0 dist 8.01428 10.5276 8.5458 6.45653 8.44356 12.5806 numMergedOcc 0
59 mol 288 unq 2 iso 1 dist 8.01428 6.45653 8.44356 10.5276 8.5458 12.5806 numMergedOcc 0
60 mol 288 unq 2 iso 0 dist 8.01428 8.40959 8.47385 6.45653 8.44356 8.72516 numMergedOcc 0
61 mol 288 unq 2 iso 1 dist 8.01428 6.45653 8.44356 8.40959 8.47385 8.72516 numMergedOcc 0
62 mol 289 unq 0 iso 0 dist 8.01428 14.4188 9.30394 10.5276 8.5458 8.60638 numMergedOcc 0
63 mol 289 unq 0 iso 1 dist 8.01428 10.5276 8.5458 14.4188 9.30394 8.60638 numMergedOcc 0
64 mol 289 unq 1 iso 0 dist 8.01428 14.4188 9.30394 8.40959 8.47385 12.7579 numMergedOcc 0
65 mol 289 unq 1 iso 1 dist 8.01428 8.40959 8.47385 14.4188 9.30394 12.7579 numMergedOcc 0
66 mol 289 unq 2 iso 0 dist 8.01428 14.4188 9.30394 6.45653 8.44356 17.1913 numMergedOcc 0
67 mol 289 unq 2 iso 1 dist 8.01428 6.45653 8.44356 14.4188 9.30394 17.1913 numMergedOcc 0
68 mol 289 unq 1 iso 0 dist 8.01428 10.5276 8.5458 8.40959 8.47385 4.9954 numMergedOcc 0
69 mol 289 unq 1 iso 1 dist 8.01428 8.40959 8.47385 10.5276 8.5458 4.9954 numMergedOcc 0
70 mol 289 unq 2 iso 0 dist 8.01428 10.5276 8.5458 6.45653 8.44356 12.5806 numMergedOcc 0
71 mol 289 unq 2 iso 1 dist 8.01428 6.45653 8.44356 10.5276 8.5458 12.5806 numMergedOcc 0
72 mol 289 unq 2 iso 0 dist 8.01428 8.40959 8.47385 6.45653 8.44356 8.72516 numMergedOcc 0
73 mol 289 unq 2 iso 1 dist 8.01428 6.45653 8.44356 8.40959 8.47385 8.72516 numMergedOcc 0
