0 mol 7 unq 0 iso 0 dist 9.04663 6.70503 8.80762 14.9053 12.3097 8.41585 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.48339 5.44752 8.64015 10.9472 11.0904 7.17396 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.48339 5.44752 8.64015 13.8756 12.9211 9.21998 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.71837 7.33832 6.61823 11.8688 6.08245 9.33898 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.71837 7.33832 6.61823 13.2504 7.24315 9.64443 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 8.04916 13.3759 9.97569 10.0439 5.60279 7.89459 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.67232 10.2515 8.93905 14.6521 7.27181 8.75408 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.67232 10.2515 8.93905 14.9635 10.5192 6.44653 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 4.92106 4.26332 6.76699 7.85025 5.74088 6.29155 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.10248 11.4517 8.20836 12.199 9.4027 8.94367 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.10248 11.4517 8.20836 9.11672 5.12325 9.86662 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 6.23534 14.9601 9.43259 11.8872 6.44255 8.34702 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 5.42919 9.62818 8.15099 12.2299 7.72147 9.76807 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.12102 6.15341 7.20574 13.1651 8.90184 7.54065 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.12102 9.77429 6.85302 13.1651 8.90184 8.87694 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 9.12102 9.77429 6.85302 13.4886 4.37002 9.09754 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.00964 9.70811 6.85441 14.0383 8.17229 7.10633 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 7.00964 9.70811 6.85441 9.9539 5.74707 8.51516 numMergedOcc 0
18 mol 204 unq 2 iso 0 dist 9.08318 4.65392 6.85441 11.2139 8.17229 7.10633 numMergedOcc 0
19 mol 204 unq 3 iso 0 dist 9.08318 4.65392 6.85441 11.1575 5.74707 8.51516 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.08402 15.511 8.46327 18.1773 10.2399 8.82096 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 5.67652 12.61 8.92743 15.3414 11.6847 8.22528 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 5.67652 12.61 8.92743 14.7537 9.62106 7.03423 numMergedOcc 0
23 mol 229 unq 2 iso 0 dist 5.67652 6.23286 5.77318 9.67544 7.7339 9.87838 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 7.03084 11.624 6.41286 12.1579 6.20661 6.7547 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.23512 9.15708 8.24186 16.7157 11.7705 8.34494 numMergedOcc 0
26 mol 234 unq 1 iso 0 dist 8.23512 9.15708 8.24186 12.0771 5.63086 6.56247 numMergedOcc 0
27 mol 234 unq 2 iso 0 dist 8.23512 9.15708 8.24186 9.5181 5.6819 9.36357 numMergedOcc 0
28 mol 234 unq 3 iso 0 dist 8.23512 4.94699 7.5366 12.0771 5.63086 9.45496 numMergedOcc 0
29 mol 234 unq 4 iso 0 dist 8.23512 4.94699 7.5366 9.5181 5.6819 6.7625 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 9.68147 9.56932 6.77954 15.8352 6.71566 9.56569 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 9.61983 5.93796 6.77954 11.4451 6.71566 9.56569 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 6.51617 6.30874 8.15467 11.83 11.6066 6.97229 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 9.84667 12.533 6.14323 21.5304 13.0621 9.17653 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 9.66445 16.3624 9.13907 14.8278 5.25615 8.15665 numMergedOcc 0
