0 mol 18 unq 0 iso 0 dist 6.79099 13.4014 9.51761 7.67828 7.55766 12.4713 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.79099 5.27833 7.3094 7.67828 7.55766 6.48196 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.15677 16.4682 8.34347 14.1383 8.44506 13.2876 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 9.61029 14.3476 8.34347 9.77186 8.44506 13.2876 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 7.56926 8.60739 5.64171 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 7.56926 8.60739 9.06158 numMergedOcc 0
6 mol 43 unq 2 iso 0 dist 9.16827 10.7423 8.93915 7.56926 8.60739 11.3891 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 7.68916 11.9986 9.80098 9.24617 9.66501 4.88603 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 7.68916 13.3091 7.34143 9.24617 9.66501 12.277 numMergedOcc 0
9 mol 52 unq 2 iso 0 dist 7.47417 8.90624 9.80098 5.10567 9.66501 4.88603 numMergedOcc 0
10 mol 52 unq 3 iso 0 dist 7.47417 13.0115 7.34143 5.10567 9.66501 12.277 numMergedOcc 0
11 mol 70 unq 0 iso 0 dist 9.74268 6.95018 9.65964 7.98177 6.54023 9.03317 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 5.25231 9.00544 11.8512 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 6.16378 7.12017 9.52882 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 numMergedOcc 0
16 mol 100 unq 4 iso 0 dist 5.09688 10.2364 8.86688 5.25231 9.00544 9.01214 numMergedOcc 0
17 mol 100 unq 5 iso 0 dist 5.09688 10.2364 8.86688 6.16378 7.12017 14.8674 numMergedOcc 0
18 mol 100 unq 6 iso 0 dist 9.26343 13.666 6.45675 8.90536 9.00544 11.8512 numMergedOcc 0
19 mol 100 unq 7 iso 0 dist 9.26343 13.666 6.45675 5.69359 7.12017 9.52882 numMergedOcc 0
20 mol 100 unq 8 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 numMergedOcc 0
21 mol 100 unq 9 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 numMergedOcc 0
22 mol 100 unq 10 iso 0 dist 9.26343 15.5646 8.86688 8.90536 9.00544 9.01214 numMergedOcc 0
23 mol 100 unq 11 iso 0 dist 9.26343 15.5646 8.86688 5.69359 7.12017 14.8674 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 7.65229 5.43987 9.60462 12.468 8.729 11.0629 numMergedOcc 0
25 mol 112 unq 1 iso 0 dist 7.65229 9.7695 7.45389 12.468 8.729 5.48848 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 5.87387 6.4595 7.5732 11.3694 6.34525 11.128 numMergedOcc 0
27 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 12.9632 8.56342 4.91132 numMergedOcc 0
28 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 4.31572 6.37542 6.08167 numMergedOcc 0
29 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 numMergedOcc 0
31 mol 131 unq 1 iso 0 dist 9.69757 6.82985 7.12972 6.53994 8.71039 5.89022 numMergedOcc 0
32 mol 131 unq 2 iso 0 dist 9.69757 6.82985 7.12972 13.4383 6.92648 9.32969 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 6.99089 10.1742 6.54501 5.50042 5.53031 5.35679 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.99089 12.6542 6.49416 5.50042 5.53031 8.46636 numMergedOcc 0
35 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 4.88215 8.41611 12.7056 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 8.25783 7.63338 12.8872 numMergedOcc 0
37 mol 143 unq 2 iso 0 dist 8.72463 14.0766 5.99315 14.7431 9.03707 7.76364 numMergedOcc 0
38 mol 143 unq 3 iso 0 dist 8.72463 14.0766 5.99315 12.956 7.25673 9.23795 numMergedOcc 0
39 mol 181 unq 0 iso 0 dist 9.25528 18.2027 9.1374 6.09526 6.51749 13.8722 numMergedOcc 0
40 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 6.09526 6.51749 5.93488 numMergedOcc 0
41 mol 181 unq 2 iso 0 dist 9.25528 11.9545 9.15386 6.09526 6.51749 7.64267 numMergedOcc 0
42 mol 192 unq 0 iso 0 dist 9.05666 5.64431 5.59424 6.93447 7.24199 7.0057 numMergedOcc 0
43 mol 192 unq 1 iso 0 dist 9.05666 10.8223 7.00794 6.93447 7.24199 8.51255 numMergedOcc 0
44 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 10.2224 6.85441 8.17229 numMergedOcc 0
45 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 10.2224 6.85441 5.74707 numMergedOcc 0
46 mol 206 unq 0 iso 0 dist 8.59262 4.38308 8.02137 5.90709 8.70977 6.3188 numMergedOcc 0
47 mol 206 unq 1 iso 0 dist 8.59262 13.472 9.774 5.90709 8.70977 9.9412 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 8.62938 6.38157 7.38025 numMergedOcc 0
49 mol 214 unq 1 iso 0 dist 6.83122 12.2622 7.14453 8.62938 6.38157 9.35273 numMergedOcc 0
50 mol 214 unq 2 iso 0 dist 6.83122 6.75833 8.85478 8.62938 6.38157 5.63388 numMergedOcc 0
51 mol 224 unq 0 iso 0 dist 7.69537 5.92906 9.40098 5.63106 8.37597 6.77927 numMergedOcc 0
52 mol 224 unq 1 iso 0 dist 7.69537 5.41675 6.61986 5.63106 8.37597 4.59567 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 6.18486 6.78651 7.55216 5.98086 5.87815 10.6244 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 9.87539 7.32982 12.3808 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 10.4401 7.32982 12.3808 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 9.2521 12.8083 6.22714 6.12311 5.64181 10.216 numMergedOcc 0
57 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 numMergedOcc 0
58 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 13.7796 7.50201 11.056 numMergedOcc 0
59 mol 252 unq 1 iso 0 dist 9.78185 16.8096 9.2288 13.7796 7.50201 5.23748 numMergedOcc 0
60 mol 252 unq 2 iso 0 dist 9.78185 6.79692 7.19638 13.7796 7.50201 7.63376 numMergedOcc 0
61 mol 253 unq 0 iso 0 dist 5.76077 9.0081 9.02271 5.37783 7.77998 13.6942 numMergedOcc 0
62 mol 253 unq 1 iso 0 dist 7.0247 10.9027 9.02271 14.5125 7.77998 13.6942 numMergedOcc 0
63 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 4.56307 6.70815 7.42673 numMergedOcc 0
64 mol 259 unq 0 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 numMergedOcc 0
65 mol 272 unq 0 iso 0 dist 7.66615 11.4664 9.97651 6.43352 9.19033 10.26 numMergedOcc 0
66 mol 272 unq 1 iso 0 dist 7.66615 10.3544 8.46116 6.43352 9.19033 13.5034 numMergedOcc 0
