0 mol 5 unq 0 iso 0 dist 7.77059 3.99762 6.86923 13.345 7.50453 11.3755 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 7.77059 8.40431 9.95226 13.345 7.50453 10.3572 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 7.77059 8.19993 4.60775 13.345 7.50453 5.90479 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 7.77059 12.2871 8.64744 13.345 7.50453 4.59167 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 7.4332 10.3223 9.22067 8.94762 8.34817 9.65891 numMergedOcc 0
5 mol 5 unq 5 iso 0 dist 7.4332 7.05332 8.49537 8.94762 8.34817 7.69461 numMergedOcc 0
6 mol 11 unq 0 iso 0 dist 9.74528 9.67038 5.47299 11.3059 9.89425 12.9682 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 5.65754 6.08168 7.61183 5.61248 7.7447 5.37421 numMergedOcc 0
8 mol 32 unq 0 iso 0 dist 8.70331 12.2361 7.72377 4.87576 8.78511 9.9172 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 6.81735 11.0441 9.24708 5.17091 9.41463 12.9186 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.66427 15.4494 8.60062 12.4236 5.37869 7.74857 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.66427 15.4494 8.60062 9.61831 4.05415 10.4876 numMergedOcc 0
12 mol 85 unq 2 iso 0 dist 8.66427 15.4494 8.60062 11.3963 9.97944 18.2213 numMergedOcc 0
13 mol 85 unq 3 iso 0 dist 8.66427 11.5575 5.16225 12.4236 5.37869 9.36582 numMergedOcc 0
14 mol 85 unq 4 iso 0 dist 8.66427 11.5575 5.16225 9.61831 4.05415 8.8983 numMergedOcc 0
15 mol 85 unq 5 iso 0 dist 8.66427 11.5575 5.16225 11.3963 9.97944 11.1809 numMergedOcc 0
16 mol 85 unq 6 iso 0 dist 7.51319 4.74629 8.67342 8.08787 4.29937 7.74857 numMergedOcc 0
17 mol 85 unq 7 iso 0 dist 7.51319 4.74629 8.67342 10.4844 3.65628 10.4876 numMergedOcc 0
18 mol 85 unq 8 iso 0 dist 7.51319 4.74629 8.67342 16.4231 9.77774 18.2213 numMergedOcc 0
19 mol 85 unq 9 iso 0 dist 7.51319 7.39588 5.73739 8.08787 4.29937 9.36582 numMergedOcc 0
20 mol 85 unq 10 iso 0 dist 7.51319 7.39588 5.73739 10.4844 3.65628 8.8983 numMergedOcc 0
21 mol 85 unq 11 iso 0 dist 7.51319 7.39588 5.73739 16.4231 9.77774 11.1809 numMergedOcc 0
22 mol 85 unq 12 iso 0 dist 8.49887 4.74629 8.60062 8.08787 5.37869 7.74857 numMergedOcc 0
23 mol 85 unq 13 iso 0 dist 8.49887 4.74629 8.60062 10.4844 4.05415 10.4876 numMergedOcc 0
24 mol 85 unq 14 iso 0 dist 8.49887 4.74629 8.60062 16.4231 9.97944 18.2213 numMergedOcc 0
25 mol 85 unq 15 iso 0 dist 8.49887 7.39588 5.16225 8.08787 5.37869 9.36582 numMergedOcc 0
26 mol 85 unq 16 iso 0 dist 8.49887 7.39588 5.16225 10.4844 4.05415 8.8983 numMergedOcc 0
27 mol 85 unq 17 iso 0 dist 8.49887 7.39588 5.16225 16.4231 9.97944 11.1809 numMergedOcc 0
28 mol 85 unq 18 iso 0 dist 9.43839 17.9238 8.67342 11.053 4.29937 7.74857 numMergedOcc 0
29 mol 85 unq 19 iso 0 dist 9.43839 17.9238 8.67342 7.97629 3.65628 10.4876 numMergedOcc 0
30 mol 85 unq 20 iso 0 dist 9.43839 17.9238 8.67342 5.46713 9.77774 18.2213 numMergedOcc 0
31 mol 85 unq 21 iso 0 dist 9.43839 13.3413 5.73739 11.053 4.29937 9.36582 numMergedOcc 0
32 mol 85 unq 22 iso 0 dist 9.43839 13.3413 5.73739 7.97629 3.65628 8.8983 numMergedOcc 0
33 mol 85 unq 23 iso 0 dist 9.43839 13.3413 5.73739 5.46713 9.77774 11.1809 numMergedOcc 0
34 mol 93 unq 0 iso 0 dist 8.55758 10.4516 8.24402 5.84807 6.67678 4.85981 numMergedOcc 0
35 mol 93 unq 1 iso 0 dist 7.44027 4.32128 9.44156 5.84807 7.24956 6.38065 numMergedOcc 0
36 mol 176 unq 0 iso 0 dist 8.8756 5.94269 8.0255 11.9346 9.9109 6.79029 numMergedOcc 0
37 mol 228 unq 0 iso 0 dist 6.9196 14.3169 9.45974 11.5135 8.92379 4.6339 numMergedOcc 0
38 mol 228 unq 1 iso 0 dist 6.72203 14.5139 9.86348 11.5792 9.06403 4.61961 numMergedOcc 0
39 mol 251 unq 0 iso 0 dist 8.15014 4.72905 7.90148 5.04918 7.72528 4.66259 numMergedOcc 0
40 mol 251 unq 1 iso 0 dist 8.15014 12.082 9.49019 5.04918 7.72528 14.1642 numMergedOcc 0
41 mol 251 unq 2 iso 0 dist 6.06154 10.4064 7.90148 12.3351 7.72528 4.66259 numMergedOcc 0
42 mol 251 unq 3 iso 0 dist 6.06154 4.79134 9.49019 12.3351 7.72528 14.1642 numMergedOcc 0
43 mol 254 unq 0 iso 0 dist 9.84028 14.4681 9.83135 8.2786 5.6417 7.03003 numMergedOcc 0
44 mol 254 unq 1 iso 0 dist 9.84028 14.4681 9.83135 5.20737 7.42831 9.54026 numMergedOcc 0
45 mol 260 unq 0 iso 0 dist 6.90472 11.0725 4.76164 4.35925 9.73217 14.0954 numMergedOcc 0
46 mol 260 unq 1 iso 0 dist 6.90472 11.0725 4.76164 13.8859 7.49606 4.58993 numMergedOcc 0
47 mol 260 unq 2 iso 0 dist 6.90472 11.0725 4.76164 13.5662 8.06377 3.69763 numMergedOcc 0
48 mol 266 unq 0 iso 0 dist 6.48382 10.1474 7.74133 7.90149 8.20376 15.5262 numMergedOcc 0
49 mol 287 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 numMergedOcc 0
51 mol 289 unq 0 iso 0 dist 8.17436 4.06566 5.55176 7.94344 4.93516 5.06236 numMergedOcc 0
