0 mol 1 unq 0 iso 0 dist 5.65716 11.1504 7.73435 5.21705 7.27254 11.6921 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 7.10269 5.71995 5.21705 7.27254 10.2632 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.93613 6.49896 5.55437 12.0088 7.05919 8.17486 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 9.23241 5.78143 4.75776 6.82319 6.2676 5.04054 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.53468 12.2874 8.58543 10.0936 7.69861 5.24993 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.90954 7.81776 8.58543 3.45332 7.69861 5.24993 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 8.02579 5.51624 3.91263 7.8435 4.97727 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.42713 8.02579 5.51624 5.59024 5.99269 5.77343 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.42713 8.02579 5.51624 12.9872 5.71763 11.0802 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.42713 12.3147 7.8674 3.91263 7.8435 13.8087 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.42713 12.3147 7.8674 5.59024 5.99269 9.96831 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.42713 12.3147 7.8674 12.9872 5.71763 5.33894 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.21032 12.1011 5.51624 15.8131 7.8435 4.97727 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.21032 12.1011 5.51624 13.6266 5.99269 5.77343 numMergedOcc 0
14 mol 93 unq 8 iso 0 dist 8.21032 12.1011 5.51624 5.17052 5.71763 11.0802 numMergedOcc 0
15 mol 93 unq 9 iso 0 dist 8.21032 9.97789 7.8674 15.8131 7.8435 13.8087 numMergedOcc 0
16 mol 93 unq 10 iso 0 dist 8.21032 9.97789 7.8674 13.6266 5.99269 9.96831 numMergedOcc 0
17 mol 93 unq 11 iso 0 dist 8.21032 9.97789 7.8674 5.17052 5.71763 5.33894 numMergedOcc 0
18 mol 147 unq 0 iso 0 dist 6.4752 6.96543 9.23528 11.5768 9.43989 17.3765 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 9.2042 15.6002 9.14458 5.18463 9.82982 17.2648 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 6.69054 9.6968 9.75627 8.2542 8.999 6.1593 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.93045 9.52773 8.12349 11.8169 8.31881 6.38897 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 7.47107 11.4288 5.52678 12.1522 5.53324 5.28603 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 7.47107 11.4288 5.52678 5.18485 6.72182 9.8803 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 7.47107 15.4624 9.81666 12.1522 5.53324 11.0713 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 7.47107 15.4624 9.81666 5.18485 6.72182 15.9964 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 9.6309 6.2347 9.06334 5.64434 8.04838 7.92114 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 8.28454 7.01029 6.53728 11.1052 9.87668 6.35462 numMergedOcc 0
28 mol 225 unq 1 iso 0 dist 8.28454 7.01029 6.53728 3.60045 8.42121 5.94765 numMergedOcc 0
29 mol 225 unq 2 iso 0 dist 8.28454 7.01029 6.53728 12.7272 7.8744 11.6976 numMergedOcc 0
30 mol 225 unq 3 iso 0 dist 8.28454 7.01029 6.53728 10.6169 4.98402 11.2847 numMergedOcc 0
31 mol 227 unq 0 iso 0 dist 8.12518 9.41039 9.56257 10.4658 5.28771 11.2819 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 9.74081 12.7987 9.84466 6.94282 8.7414 9.39277 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 9.74081 5.78318 6.16557 6.94282 8.7414 5.1975 numMergedOcc 0
34 mol 237 unq 2 iso 0 dist 9.74081 10.217 5.4813 6.94282 8.7414 5.69816 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 9.43554 15.3306 9.60364 6.9412 7.22664 8.9822 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 9.43554 15.3306 9.60364 6.56481 7.15762 11.5018 numMergedOcc 0
37 mol 250 unq 2 iso 0 dist 9.21681 14.1113 9.60364 15.9167 7.22664 8.9822 numMergedOcc 0
38 mol 250 unq 3 iso 0 dist 9.21681 14.1113 9.60364 12.9916 7.15762 11.5018 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 8.38382 5.12873 8.53757 10.909 6.42747 8.08775 numMergedOcc 0
40 mol 264 unq 0 iso 0 dist 8.28871 5.7394 5.74568 3.63202 7.14086 7.36132 numMergedOcc 0
41 mol 264 unq 1 iso 0 dist 7.94668 6.63115 5.74568 13.3131 7.14086 7.36132 numMergedOcc 0
