0 mol 76 unq 0 iso 0 dist 5.25083 7.28582 9.42735 7.63534 6.71804 4.79949 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 5.25083 8.88157 9.98078 7.63534 6.71804 7.27693 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 8.7835 10.3858 9.42735 11.6094 6.71804 4.79949 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 8.7835 12.3527 9.98078 11.6094 6.71804 7.27693 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 9.27407 3.74136 5.89661 10.4641 8.38283 9.81831 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 9.27407 3.74136 5.89661 11.1217 6.13065 9.12858 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 9.27407 3.74136 5.89661 9.10877 11.0971 9.4523 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.85783 10.3136 9.67735 11.3381 10.602 7.32289 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.56066 3.90578 6.07991 9.84539 9.52181 6.34525 numMergedOcc 0
9 mol 126 unq 0 iso 0 dist 9.61698 16.3823 9.31118 12.94 5.50061 9.46588 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.50959 4.91324 7.67321 13.0881 13.9674 9.28592 numMergedOcc 0
11 mol 147 unq 0 iso 0 dist 7.2409 7.70253 7.94147 11.5623 10.4411 5.49226 numMergedOcc 0
12 mol 147 unq 1 iso 0 dist 7.2409 7.70253 7.94147 11.0807 6.11262 6.28351 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 6.78431 7.40662 7.44879 11.4306 12.6787 9.43259 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 6.78431 6.03398 7.64275 14.2523 11.6982 9.31851 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 6.78431 6.03398 7.64275 11.4306 12.6787 6.2319 numMergedOcc 0
16 mol 156 unq 3 iso 0 dist 6.78431 6.03398 7.64275 15.7523 16.7351 9.97732 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 8.99149 4.41466 6.86144 7.15963 5.65167 6.51749 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.99149 4.41466 6.86144 11.5431 9.23179 7.20392 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 8.41494 12.1694 5.31166 12.2632 5.95114 9.56197 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 8.41494 12.1694 5.31166 8.16369 5.93294 7.24795 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 8.41494 12.1694 5.31166 17.0127 8.88219 8.64409 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 8.41494 12.1694 5.31166 15.4561 7.74823 7.60202 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.72321 15.8334 9.28463 11.5361 4.99401 6.66971 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 9.72321 15.8334 9.28463 14.4685 5.07768 6.4398 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.72321 15.8334 9.28463 12.6734 9.99053 7.32982 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.5835 10.369 8.14632 7.80336 6.64096 9.95546 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 9.92578 9.5022 9.44207 9.41951 7.26296 7.44083 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 9.4945 5.16567 9.06496 6.70123 7.0797 6.57903 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 9.4945 5.16567 9.06496 12.2817 7.32232 9.65707 numMergedOcc 0
30 mol 279 unq 0 iso 0 dist 5.90003 4.81143 7.84195 10.2545 11.4893 8.29305 numMergedOcc 0
31 mol 279 unq 1 iso 0 dist 5.90003 4.81143 7.84195 10.8638 12.9462 6.43341 numMergedOcc 0
