0 mol 11 unq 0 iso 0 dist 9.68172 9.3651 6.92239 9.81247 11.9469 5.67296 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.42442 9.3651 8.97103 9.81247 9.23656 5.67296 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 6.64605 7.7568 9.29752 6.69711 4.21185 9.08524 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.3664 9.80207 7.81335 9.53176 11.4096 10.3464 numMergedOcc 0
4 mol 123 unq 0 iso 0 dist 8.71274 9.28454 7.14659 6.7201 6.08047 4.57557 numMergedOcc 0
5 mol 123 unq 1 iso 0 dist 8.71274 7.97266 4.10446 6.7201 6.08047 7.07913 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.64946 9.63488 10.5368 6.73897 6.11049 9.84339 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 5.75545 6.13872 5.17618 8.45395 6.22085 9.80135 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 5.75545 6.13872 5.17618 5.41368 4.48609 4.97806 numMergedOcc 0
9 mol 183 unq 0 iso 0 dist 8.15747 5.83335 4.07773 7.42108 9.54124 6.39381 numMergedOcc 0
10 mol 183 unq 1 iso 0 dist 8.15747 9.92635 16.0056 7.42108 9.54124 16.8061 numMergedOcc 0
11 mol 183 unq 2 iso 0 dist 5.44125 5.83335 9.7245 7.42108 9.81014 6.39381 numMergedOcc 0
12 mol 183 unq 3 iso 0 dist 5.44125 9.92635 7.93856 7.42108 9.81014 16.8061 numMergedOcc 0
13 mol 212 unq 0 iso 0 dist 7.53582 9.89938 3.48668 9.15316 6.91212 5.8232 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 8.61427 6.2441 6.86057 8.27907 10.0899 11.0649 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 7.13496 9.52151 14.8716 7.15624 6.19264 10.277 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 7.13496 8.62654 6.78678 7.15624 6.19264 10.2112 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 9.37229 8.10096 9.97507 9.31669 4.91346 6.05562 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 9.51177 9.46728 15.2081 9.46582 13.1765 6.23871 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.51177 9.46728 15.2081 9.77231 14.6367 10.1372 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.30455 7.97113 4.77489 8.46351 6.58569 11.1732 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 5.30455 5.22111 4.59239 8.46351 6.58569 9.53336 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 7.34794 7.97113 7.10624 8.46351 5.63099 11.1732 numMergedOcc 0
23 mol 259 unq 3 iso 0 dist 7.34794 5.22111 5.09929 8.46351 5.63099 9.53336 numMergedOcc 0
