0 mol 27 unq 0 iso 0 dist 8.73916 9.62305 15.0516 5.84177 14.1491 8.71752 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 8.73916 9.62305 15.0516 6.25033 10.7351 7.60283 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 5.66337 9.62305 15.0929 5.84177 10.611 8.71752 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 5.66337 9.62305 15.0929 6.25033 10.1809 7.60283 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.70369 8.28811 11.4827 5.08831 10.3173 9.33027 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 6.70369 8.28811 11.4827 6.54316 12.9695 7.32707 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 6.70369 8.28811 11.4827 11.3171 17.0613 7.90574 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 6.70369 6.29253 7.10504 5.08831 10.3173 8.2946 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 6.70369 6.29253 7.10504 6.54316 12.9695 9.25346 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 8.49278 8.28811 10.581 5.08831 10.5841 9.33027 numMergedOcc 0
10 mol 34 unq 6 iso 0 dist 8.49278 8.28811 10.581 6.54316 13.8566 7.32707 numMergedOcc 0
11 mol 34 unq 7 iso 0 dist 8.49278 8.28811 10.581 11.3171 16.6472 7.90574 numMergedOcc 0
12 mol 34 unq 8 iso 0 dist 8.49278 6.29253 5.80384 5.08831 10.5841 8.2946 numMergedOcc 0
13 mol 34 unq 9 iso 0 dist 8.49278 6.29253 5.80384 6.54316 13.8566 9.25346 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 9.6856 6.80155 7.08042 7.48749 5.24076 7.60254 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 7.73442 5.87728 4.3503 5.71349 11.7985 9.75763 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 7.73442 6.71538 12.4659 5.71349 11.7985 7.0685 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 7.73442 8.58856 11.027 5.71349 11.7985 6.44904 numMergedOcc 0
18 mol 199 unq 0 iso 0 dist 9.124 6.62547 5.19058 5.83085 12.8297 9.38376 numMergedOcc 0
19 mol 199 unq 1 iso 0 dist 6.27016 5.64398 5.19058 11.0326 12.8297 9.38376 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 9.7707 5.29147 9.31022 4.84643 13.8244 9.55606 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.82101 5.61473 10.2827 9.50998 17.9193 8.1931 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 8.09547 5.3853 5.2539 10.0472 12.1032 8.90076 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 8.09547 5.3853 5.2539 10.0651 11.0357 6.62002 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 6.55222 9.03093 4.81796 15.0148 8.87182 7.02079 numMergedOcc 0
25 mol 239 unq 1 iso 0 dist 6.55222 9.03093 4.81796 5.93253 5.95622 5.88802 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 9.32251 7.4619 3.83813 6.29323 12.3676 8.92185 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 9.32251 6.37816 6.55862 6.29323 12.3676 7.7574 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 6.33151 9.39803 8.68501 10.6962 12.9013 5.81266 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 4.87063 5.84116 4.62994 6.09891 9.30214 9.24417 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 8.56255 5.84116 8.33485 6.09891 10.5181 9.24417 numMergedOcc 0
