0 mol 37 unq 0 iso 0 dist 8.40835 9.7385 12.0019 4.81503 7.65802 13.6592 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 7.14979 6.0662 7.8595 5.15367 7.44913 10.0595 numMergedOcc 0
2 mol 96 unq 0 iso 0 dist 5.5851 8.9912 4.63351 9.81613 8.9056 12.9112 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 5.72494 7.85115 11.4876 5.40051 7.66418 11.5009 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 8.70106 7.85115 11.2795 5.40051 8.078 11.5009 numMergedOcc 0
5 mol 103 unq 2 iso 0 dist 8.70106 7.85115 11.2795 14.0531 6.56481 15.0168 numMergedOcc 0
6 mol 136 unq 0 iso 0 dist 9.67457 7.75661 6.80938 6.29723 8.41727 11.0132 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 8.60157 7.91749 3.54257 6.76353 8.6953 9.0735 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 6.72591 7.91749 8.03052 6.76353 9.18753 9.0735 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 8.59359 7.96309 3.59609 6.65519 8.65967 9.03593 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 6.80192 7.96309 8.06512 6.65519 9.15244 9.03593 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.45502 4.80508 7.82494 13.5755 9.38856 16.1133 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 6.45502 4.88625 5.34159 13.5755 9.38856 13.1934 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 3.87901 6.74196 4.89071 8.4352 7.21397 10.5145 numMergedOcc 0
14 mol 165 unq 1 iso 0 dist 5.04534 6.72652 4.89071 5.73847 7.21397 10.5145 numMergedOcc 0
15 mol 165 unq 2 iso 0 dist 5.04534 6.4503 6.22764 5.73847 7.21397 8.00005 numMergedOcc 0
16 mol 167 unq 0 iso 0 dist 6.6514 8.87575 11.6251 8.3419 7.20545 13.5665 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 9.58783 8.1953 16.4635 11.4343 9.11481 13.5855 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 9.58783 8.16253 17.6725 11.4343 9.11481 17.3475 numMergedOcc 0
19 mol 182 unq 0 iso 0 dist 7.03216 8.43599 5.28013 4.60682 8.27913 9.75791 numMergedOcc 0
20 mol 182 unq 1 iso 0 dist 9.42196 8.43599 5.89583 4.60682 8.85111 9.75791 numMergedOcc 0
21 mol 192 unq 0 iso 0 dist 9.67207 8.42665 9.82858 4.64973 6.2016 7.97601 numMergedOcc 0
22 mol 192 unq 1 iso 0 dist 9.67207 8.42665 9.82858 6.57816 8.3453 13.1706 numMergedOcc 0
23 mol 198 unq 0 iso 0 dist 8.74957 9.50184 5.46544 4.61344 9.87574 7.95437 numMergedOcc 0
24 mol 198 unq 1 iso 0 dist 7.91967 6.49746 5.46544 9.72265 9.87574 7.95437 numMergedOcc 0
25 mol 198 unq 2 iso 0 dist 7.91967 5.8917 6.14119 9.72265 9.87574 10.7148 numMergedOcc 0
26 mol 198 unq 3 iso 0 dist 7.83611 7.48253 11.4181 17.1351 9.87574 21.1794 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 4.90334 9.06088 6.08881 7.84606 9.52029 10.7507 numMergedOcc 0
28 mol 204 unq 1 iso 0 dist 9.3369 8.50234 6.40044 13.6696 9.90757 14.1755 numMergedOcc 0
29 mol 214 unq 0 iso 0 dist 9.66533 7.81831 6.49466 13.587 4.36421 10.5407 numMergedOcc 0
30 mol 250 unq 0 iso 0 dist 9.73318 8.45998 10.208 4.11548 8.51703 11.3769 numMergedOcc 0
31 mol 250 unq 1 iso 0 dist 5.75551 8.45998 8.59509 4.11548 5.07895 11.3769 numMergedOcc 0
32 mol 276 unq 0 iso 0 dist 8.0652 9.97709 16.9357 6.40983 7.60807 16.1098 numMergedOcc 0
33 mol 282 unq 0 iso 0 dist 6.15396 8.36459 4.4471 5.668 5.00258 7.21879 numMergedOcc 0
34 mol 282 unq 1 iso 0 dist 6.15396 8.36459 4.4471 8.54733 9.98886 14.1761 numMergedOcc 0
35 mol 282 unq 2 iso 0 dist 9.18964 8.36459 10.1631 5.668 8.22117 7.21879 numMergedOcc 0
36 mol 282 unq 3 iso 0 dist 9.18964 8.36459 10.1631 8.54733 6.81887 14.1761 numMergedOcc 0
37 mol 283 unq 0 iso 0 dist 8.07626 8.3831 9.07999 6.76599 9.28067 12.3862 numMergedOcc 0
38 mol 283 unq 1 iso 0 dist 8.07626 8.44179 5.0232 6.76599 9.28067 10.1356 numMergedOcc 0
39 mol 283 unq 2 iso 0 dist 6.3448 8.3831 7.39416 6.76599 5.71075 12.3862 numMergedOcc 0
40 mol 283 unq 3 iso 0 dist 6.3448 8.44179 5.78526 6.76599 5.71075 10.1356 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 5.62295 4.69611 8.4652 10.8669 7.74965 15.0399 numMergedOcc 0
