0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 12.5796 6.80952 6.35095 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.15652 8.59466 9.24958 10.2518 9.6739 5.87895 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.44893 9.67461 4.93188 10.914 6.80952 6.35095 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.44893 14.0586 9.24958 15.4913 9.6739 5.87895 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 9.46333 5.45587 7.57959 6.56791 7.40179 7.57586 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 9.62428 5.27838 7.77916 12.0336 11.7226 8.21553 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 9.17137 5.37332 5.74854 11.0556 5.09562 8.20865 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 9.9387 10.4339 8.67766 13.0961 5.02505 7.4371 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 5.36473 9.04668 9.7918 14.1804 12.0204 8.19156 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.08064 8.14279 8.56003 13.5563 5.94764 8.96061 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 9.5853 5.56399 8.56355 8.01521 8.53414 8.57361 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.84133 12.0174 5.45036 5.60195 5.41948 8.9077 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 8.81001 9.89208 5.45036 7.87359 5.41948 8.9077 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 7.09453 9.68525 5.77318 14.5903 7.57247 8.0007 numMergedOcc 0
14 mol 229 unq 1 iso 0 dist 7.09453 10.7618 8.19603 5.99687 5.77507 9.92027 numMergedOcc 0
15 mol 229 unq 2 iso 0 dist 8.69109 11.9018 5.77318 14.4779 7.57247 8.0007 numMergedOcc 0
16 mol 229 unq 3 iso 0 dist 8.69109 5.93705 8.19603 7.10623 5.77507 9.92027 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.47064 10.7614 9.09271 9.87385 6.46721 8.56954 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 6.47064 11.777 7.44838 9.87385 6.46721 9.23938 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 9.33359 12.8358 8.50331 14.2393 7.05684 6.36941 numMergedOcc 0
20 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 19.5015 14.3522 6.01168 numMergedOcc 0
21 mol 240 unq 1 iso 0 dist 5.46783 14.5429 9.47583 11.3751 8.30926 6.83069 numMergedOcc 0
22 mol 240 unq 2 iso 0 dist 5.46783 13.8996 8.44909 19.5015 14.3522 7.72928 numMergedOcc 0
23 mol 240 unq 3 iso 0 dist 5.46783 13.8996 8.44909 11.3751 8.30926 9.30995 numMergedOcc 0
24 mol 248 unq 0 iso 0 dist 9.97871 5.8982 6.17052 11.2111 4.01898 6.44967 numMergedOcc 0
25 mol 248 unq 1 iso 0 dist 9.08064 7.63032 6.17052 11.8652 4.01898 6.44967 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 5.67349 6.39263 8.60026 6.93654 11.2562 8.50313 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 5.67349 6.39263 8.60026 9.66298 13.4429 7.6414 numMergedOcc 0
28 mol 264 unq 0 iso 0 dist 9.91954 7.50444 6.42588 9.91369 5.04055 6.80096 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 9.00781 9.92738 9.05222 15.9271 9.7816 8.82094 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 9.00781 9.92738 9.05222 10.8547 11.6389 9.80332 numMergedOcc 0
