0 mol 20 unq 0 iso 0 dist 9.47968 12.5088 8.25405 17.8654 9.46385 7.99756 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.46609 6.0606 6.38243 13.1741 12.4814 8.97754 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 8.19484 9.90656 7.56029 15.4545 9.76552 7.31718 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 8.19484 9.90656 7.56029 14.9615 12.6338 5.47447 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 5.9644 8.17555 7.4515 13.5118 8.45456 8.78414 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 5.74389 4.62009 8.05514 11.8201 13.0221 8.19932 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 5.69384 6.35003 8.04168 7.06029 5.47798 4.78333 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 5.69384 6.35003 8.04168 8.97789 7.86805 4.74254 numMergedOcc 0
8 mol 79 unq 2 iso 0 dist 5.69384 3.45432 5.70907 10.2786 5.48763 9.21761 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 8.42713 3.91263 7.8435 5.10693 12.5638 6.67678 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 8.42713 3.91263 7.8435 6.58814 12.4215 7.24956 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 8.42713 3.91263 7.8435 6.13459 5.99863 8.28591 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.42713 3.91263 7.8435 7.54391 6.15015 9.40687 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 8.42713 5.59024 5.99269 6.13459 5.99863 5.35008 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 8.42713 5.59024 5.99269 7.54391 6.15015 8.84576 numMergedOcc 0
15 mol 93 unq 6 iso 0 dist 8.42713 12.9872 5.71763 6.13459 5.99863 8.30921 numMergedOcc 0
16 mol 93 unq 7 iso 0 dist 8.42713 12.9872 5.71763 7.54391 6.15015 7.39732 numMergedOcc 0
17 mol 93 unq 8 iso 0 dist 8.42713 12.9872 5.71763 11.8972 10.9803 9.67744 numMergedOcc 0
18 mol 93 unq 9 iso 0 dist 8.21032 15.8131 7.8435 20.3732 12.5638 6.67678 numMergedOcc 0
19 mol 93 unq 10 iso 0 dist 8.21032 15.8131 7.8435 19.7203 12.4215 7.24956 numMergedOcc 0
20 mol 93 unq 11 iso 0 dist 8.21032 15.8131 7.8435 12.7932 5.99863 8.28591 numMergedOcc 0
21 mol 93 unq 12 iso 0 dist 8.21032 15.8131 7.8435 11.756 6.15015 9.40687 numMergedOcc 0
22 mol 93 unq 13 iso 0 dist 8.21032 13.6266 5.99269 12.7932 5.99863 5.35008 numMergedOcc 0
23 mol 93 unq 14 iso 0 dist 8.21032 13.6266 5.99269 11.756 6.15015 8.84576 numMergedOcc 0
24 mol 93 unq 15 iso 0 dist 8.21032 5.17052 5.71763 12.7932 5.99863 8.30921 numMergedOcc 0
25 mol 93 unq 16 iso 0 dist 8.21032 5.17052 5.71763 11.756 6.15015 7.39732 numMergedOcc 0
26 mol 93 unq 17 iso 0 dist 8.21032 5.17052 5.71763 14.2505 10.9803 9.67744 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 6.69054 8.2542 8.999 14.7028 11.6193 9.68512 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 9.93045 11.8169 8.31881 11.7368 9.09659 9.34653 numMergedOcc 0
29 mol 194 unq 0 iso 0 dist 7.47107 12.1522 5.53324 15.1012 7.82899 4.45769 numMergedOcc 0
30 mol 194 unq 1 iso 0 dist 7.47107 12.1522 5.53324 16.5446 10.0237 5.89939 numMergedOcc 0
31 mol 225 unq 0 iso 0 dist 9.65075 13.5289 9.57955 16.6103 8.38864 8.74463 numMergedOcc 0
32 mol 225 unq 1 iso 0 dist 8.28454 11.1052 9.87668 16.9432 13.9338 8.74463 numMergedOcc 0
33 mol 251 unq 0 iso 0 dist 8.38382 10.909 6.42747 14.3525 10.3735 7.72528 numMergedOcc 0
34 mol 252 unq 0 iso 0 dist 5.22349 10.7358 9.39658 11.9348 10.4138 7.62991 numMergedOcc 0
35 mol 252 unq 1 iso 0 dist 5.22349 10.7358 9.39658 19.7686 19.1465 9.81261 numMergedOcc 0
36 mol 264 unq 0 iso 0 dist 8.28871 3.63202 7.14086 12.106 9.4435 8.55386 numMergedOcc 0
37 mol 264 unq 1 iso 0 dist 7.94668 13.3131 7.14086 17.3508 9.4435 8.55386 numMergedOcc 0
38 mol 270 unq 0 iso 0 dist 4.95899 8.4597 8.49032 9.24402 4.42436 9.67647 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 5.63154 3.77031 5.8304 5.96259 7.93548 4.98693 numMergedOcc 0
