0 mol 10 unq 0 iso 0 dist 5.40169 6.02543 3.92592 5.75317 7.8329 9.7713 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.5053 6.38243 4.76998 12.4814 9.11311 8.97754 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.59316 9.80137 17.3353 5.15398 6.28603 13.8057 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.59316 9.80137 17.3353 8.66294 8.80303 16.2628 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.59316 9.80137 17.3353 12.5266 7.11491 21.6509 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.59316 8.34893 15.8613 5.15398 6.28603 11.8489 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.59316 8.34893 15.8613 8.66294 8.80303 13.8572 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.59316 8.34893 15.8613 12.5266 7.11491 20.2349 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.51285 9.85865 17.3314 5.15603 5.73454 13.9319 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.51285 9.85865 17.3314 8.37489 8.2012 16.0496 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.51285 9.85865 17.3314 12.6408 7.1829 21.6413 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.51285 8.74946 16.1572 5.15603 5.73454 12.3684 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.51285 8.74946 16.1572 8.37489 8.2012 13.9823 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 7.51285 8.74946 16.1572 12.6408 7.1829 20.6859 numMergedOcc 0
14 mol 58 unq 0 iso 0 dist 6.62229 6.87028 5.45005 6.21346 6.41008 9.10675 numMergedOcc 0
15 mol 131 unq 0 iso 0 dist 5.44303 6.78801 6.11089 9.93041 8.47526 8.49847 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 6.95372 7.16698 6.11087 5.42311 7.2932 11.0026 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 6.95372 8.68663 4.06908 5.42311 7.2932 6.60366 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 5.8628 5.48379 4.09908 6.02991 4.6512 6.77583 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 7.46987 8.57801 6.18065 9.28201 8.72743 8.92135 numMergedOcc 0
20 mol 186 unq 1 iso 0 dist 4.5271 7.04815 3.87169 6.50208 7.37629 6.94594 numMergedOcc 0
21 mol 186 unq 2 iso 0 dist 4.5271 7.04815 3.87169 6.3786 5.68985 5.81881 numMergedOcc 0
22 mol 186 unq 3 iso 0 dist 4.5271 6.07389 5.65634 6.50208 7.37629 9.89544 numMergedOcc 0
23 mol 186 unq 4 iso 0 dist 4.5271 6.07389 5.65634 6.3786 5.68985 9.84648 numMergedOcc 0
24 mol 186 unq 5 iso 0 dist 7.02575 7.04815 8.65911 8.54557 8.2241 14.2971 numMergedOcc 0
25 mol 186 unq 6 iso 0 dist 7.02575 6.07389 3.87082 8.54557 8.2241 9.4366 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 8.43187 7.39445 11.3625 5.43768 6.21262 11.8407 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 5.95375 7.53395 7.25932 7.1653 6.81516 11.4354 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 5.95375 7.53395 7.25932 6.72925 9.17562 4.97301 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 9.08955 7.97027 4.67663 3.98816 9.30639 6.39673 numMergedOcc 0
30 mol 222 unq 1 iso 0 dist 9.08955 6.81955 9.32357 3.98816 9.30639 10.0681 numMergedOcc 0
31 mol 222 unq 2 iso 0 dist 9.08955 4.9876 6.37382 3.98816 9.30639 7.80676 numMergedOcc 0
32 mol 222 unq 3 iso 0 dist 8.88664 7.97027 4.00869 3.98816 6.24462 6.39673 numMergedOcc 0
33 mol 222 unq 4 iso 0 dist 8.88664 6.81955 12.2233 3.98816 6.24462 10.0681 numMergedOcc 0
34 mol 222 unq 5 iso 0 dist 8.88664 4.9876 9.60662 3.98816 6.24462 7.80676 numMergedOcc 0
35 mol 222 unq 6 iso 0 dist 7.16819 7.97027 6.23984 3.98816 6.02034 6.39673 numMergedOcc 0
36 mol 222 unq 7 iso 0 dist 7.16819 6.81955 8.87178 3.98816 6.02034 10.0681 numMergedOcc 0
37 mol 222 unq 8 iso 0 dist 7.16819 4.9876 7.13962 3.98816 6.02034 7.80676 numMergedOcc 0
38 mol 250 unq 0 iso 0 dist 5.93798 6.93875 6.40609 11.0798 9.25035 14.1543 numMergedOcc 0
39 mol 285 unq 0 iso 0 dist 6.74142 8.94601 6.3633 8.03918 8.79261 4.27826 numMergedOcc 0
40 mol 285 unq 1 iso 0 dist 6.74142 8.94601 6.3633 11.1127 9.99125 5.82074 numMergedOcc 0
