0 mol 68 unq 0 iso 0 dist 9.20523 14.6873 8.06267 11.7508 5.88334 3.20411 numMergedOcc 0
1 mol 68 unq 0 iso 1 dist 9.20523 11.7508 5.88334 14.6873 8.06267 3.20411 numMergedOcc 0
2 mol 79 unq 0 iso 0 dist 6.09906 4.91617 5.25027 8.05938 4.37025 5.30569 numMergedOcc 0
3 mol 79 unq 0 iso 1 dist 6.09906 8.05938 4.37025 4.91617 5.25027 5.30569 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 9.04546 9.05868 9.06601 9.16288 5.98809 8.72808 numMergedOcc 0
5 mol 111 unq 0 iso 1 dist 9.04546 9.16288 5.98809 9.05868 9.06601 8.72808 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.08014 6.55681 7.02367 11.1233 9.30832 10.8127 numMergedOcc 0
7 mol 113 unq 0 iso 1 dist 9.08014 11.1233 9.30832 6.55681 7.02367 10.8127 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.46684 8.51521 5.93278 11.3635 6.19918 3.19822 numMergedOcc 0
9 mol 115 unq 0 iso 1 dist 8.46684 11.3635 6.19918 8.51521 5.93278 3.19822 numMergedOcc 0
10 mol 147 unq 0 iso 0 dist 6.87299 5.14383 6.73617 8.68767 9.03544 3.6066 numMergedOcc 0
11 mol 147 unq 0 iso 1 dist 6.87299 8.68767 9.03544 5.14383 6.73617 3.6066 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 9.75141 10.6214 9.09354 6.98052 4.66576 11.4531 numMergedOcc 0
13 mol 213 unq 0 iso 1 dist 9.75141 6.98052 4.66576 10.6214 9.09354 11.4531 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 9.95045 15.2257 8.25985 11.1518 9.27788 6.61868 numMergedOcc 0
15 mol 232 unq 0 iso 1 dist 9.95045 11.1518 9.27788 15.2257 8.25985 6.61868 numMergedOcc 0
16 mol 253 unq 0 iso 0 dist 7.26981 13.6897 9.19385 5.17707 7.14243 11.5519 numMergedOcc 0
17 mol 253 unq 0 iso 1 dist 7.26981 5.17707 7.14243 13.6897 9.19385 11.5519 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 7.26981 13.6897 9.19385 6.10294 5.77511 13.6905 numMergedOcc 0
19 mol 253 unq 1 iso 1 dist 7.26981 6.10294 5.77511 13.6897 9.19385 13.6905 numMergedOcc 0
20 mol 253 unq 2 iso 0 dist 7.26981 13.6897 9.19385 5.04216 7.81382 15.953 numMergedOcc 0
21 mol 253 unq 2 iso 1 dist 7.26981 5.04216 7.81382 13.6897 9.19385 15.953 numMergedOcc 0
22 mol 253 unq 1 iso 0 dist 7.26981 5.17707 7.14243 6.10294 5.77511 5.35859 numMergedOcc 0
23 mol 253 unq 1 iso 1 dist 7.26981 6.10294 5.77511 5.17707 7.14243 5.35859 numMergedOcc 0
24 mol 253 unq 2 iso 0 dist 7.26981 5.17707 7.14243 5.04216 7.81382 6.37556 numMergedOcc 0
25 mol 253 unq 2 iso 1 dist 7.26981 5.04216 7.81382 5.17707 7.14243 6.37556 numMergedOcc 0
26 mol 253 unq 2 iso 0 dist 7.26981 6.10294 5.77511 5.04216 7.81382 3.10832 numMergedOcc 0
27 mol 253 unq 2 iso 1 dist 7.26981 5.04216 7.81382 6.10294 5.77511 3.10832 numMergedOcc 0
28 mol 253 unq 3 iso 0 dist 9.02643 13.5912 9.19385 3.99655 7.14243 11.5519 numMergedOcc 0
29 mol 253 unq 3 iso 1 dist 9.02643 3.99655 7.14243 13.5912 9.19385 11.5519 numMergedOcc 0
30 mol 253 unq 4 iso 0 dist 9.02643 13.5912 9.19385 5.37143 5.77511 13.6905 numMergedOcc 0
31 mol 253 unq 4 iso 1 dist 9.02643 5.37143 5.77511 13.5912 9.19385 13.6905 numMergedOcc 0
32 mol 253 unq 5 iso 0 dist 9.02643 13.5912 9.19385 6.92436 7.81382 15.953 numMergedOcc 0
33 mol 253 unq 5 iso 1 dist 9.02643 6.92436 7.81382 13.5912 9.19385 15.953 numMergedOcc 0
34 mol 253 unq 4 iso 0 dist 9.02643 3.99655 7.14243 5.37143 5.77511 5.35859 numMergedOcc 0
35 mol 253 unq 4 iso 1 dist 9.02643 5.37143 5.77511 3.99655 7.14243 5.35859 numMergedOcc 0
36 mol 253 unq 5 iso 0 dist 9.02643 3.99655 7.14243 6.92436 7.81382 6.37556 numMergedOcc 0
37 mol 253 unq 5 iso 1 dist 9.02643 6.92436 7.81382 3.99655 7.14243 6.37556 numMergedOcc 0
38 mol 253 unq 5 iso 0 dist 9.02643 5.37143 5.77511 6.92436 7.81382 3.10832 numMergedOcc 0
39 mol 253 unq 5 iso 1 dist 9.02643 6.92436 7.81382 5.37143 5.77511 3.10832 numMergedOcc 0
40 mol 253 unq 6 iso 0 dist 8.68368 15.6704 8.94786 13.5912 9.1927 6.8233 numMergedOcc 0
41 mol 253 unq 6 iso 1 dist 8.68368 13.5912 9.1927 15.6704 8.94786 6.8233 numMergedOcc 0
42 mol 253 unq 7 iso 0 dist 8.68368 15.6704 8.94786 3.99655 9.60694 15.2509 numMergedOcc 0
43 mol 253 unq 7 iso 1 dist 8.68368 3.99655 9.60694 15.6704 8.94786 15.2509 numMergedOcc 0
44 mol 253 unq 8 iso 0 dist 8.68368 15.6704 8.94786 5.37143 9.27311 17.0369 numMergedOcc 0
45 mol 253 unq 8 iso 1 dist 8.68368 5.37143 9.27311 15.6704 8.94786 17.0369 numMergedOcc 0
46 mol 253 unq 7 iso 0 dist 8.68368 13.5912 9.1927 3.99655 9.60694 11.5519 numMergedOcc 0
47 mol 253 unq 7 iso 1 dist 8.68368 3.99655 9.60694 13.5912 9.1927 11.5519 numMergedOcc 0
48 mol 253 unq 8 iso 0 dist 8.68368 13.5912 9.1927 5.37143 9.27311 13.6905 numMergedOcc 0
49 mol 253 unq 8 iso 1 dist 8.68368 5.37143 9.27311 13.5912 9.1927 13.6905 numMergedOcc 0
50 mol 253 unq 8 iso 0 dist 8.68368 3.99655 9.60694 5.37143 9.27311 5.35859 numMergedOcc 0
51 mol 253 unq 8 iso 1 dist 8.68368 5.37143 9.27311 3.99655 9.60694 5.35859 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 8.57619 7.70492 9.18798 10.388 8.25897 4.6865 numMergedOcc 0
53 mol 259 unq 0 iso 1 dist 8.57619 10.388 8.25897 7.70492 9.18798 4.6865 numMergedOcc 0
54 mol 274 unq 0 iso 0 dist 6.36173 12.2565 8.12739 10.2664 6.09853 5.57024 numMergedOcc 0
55 mol 274 unq 0 iso 1 dist 6.36173 10.2664 6.09853 12.2565 8.12739 5.57024 numMergedOcc 0
