0 mol 55 unq 0 iso 0 dist 6.73143 4.61575 9.78051 5.03701 6.13181 4.97078 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 8.70353 11.6619 8.63486 13.4548 6.91393 12.8132 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.70353 11.6619 8.63486 14.062 8.40038 16.7219 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 6.98059 9.83687 5.88354 6.96505 7.63183 10.7735 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 6.98059 11.0059 7.89665 6.96505 7.63183 9.38161 numMergedOcc 0
5 mol 98 unq 2 iso 0 dist 6.98059 12.2571 5.39354 6.96505 7.63183 10.5878 numMergedOcc 0
6 mol 98 unq 3 iso 0 dist 6.98059 12.0258 5.74854 6.96505 7.63183 13.1711 numMergedOcc 0
7 mol 98 unq 4 iso 0 dist 6.98059 12.8848 8.76566 6.96505 7.63183 7.42291 numMergedOcc 0
8 mol 98 unq 5 iso 0 dist 6.98059 12.3945 8.8368 6.96505 7.63183 8.01486 numMergedOcc 0
9 mol 98 unq 6 iso 0 dist 5.63127 10.6448 5.88354 11.4703 7.63183 10.7735 numMergedOcc 0
10 mol 98 unq 7 iso 0 dist 5.63127 13.4221 7.89665 11.4703 7.63183 9.38161 numMergedOcc 0
11 mol 98 unq 8 iso 0 dist 5.63127 7.96856 5.39354 11.4703 7.63183 10.5878 numMergedOcc 0
12 mol 98 unq 9 iso 0 dist 5.63127 5.58126 5.74854 11.4703 7.63183 13.1711 numMergedOcc 0
13 mol 98 unq 10 iso 0 dist 5.63127 12.7489 8.76566 11.4703 7.63183 7.42291 numMergedOcc 0
14 mol 98 unq 11 iso 0 dist 5.63127 9.77595 8.8368 11.4703 7.63183 8.01486 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 6.89591 10.8466 7.72144 13.5223 9.71408 11.0347 numMergedOcc 0
16 mol 156 unq 0 iso 0 dist 6.23534 14.9601 9.43259 8.74124 5.90883 10.7023 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 5.94881 7.24557 9.11712 6.75094 9.75627 8.26419 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.12102 6.15341 7.20574 12.1976 7.55358 12.7155 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.12102 6.15341 7.20574 10.7049 8.87818 11.2142 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 9.12102 9.77429 6.85302 12.1976 7.55358 9.97575 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 9.12102 9.77429 6.85302 10.7049 8.87818 7.92653 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 8.26119 5.69334 6.26839 9.55026 5.52678 6.66155 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 8.26119 5.69334 6.26839 5.81844 9.81666 5.4499 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 8.26119 13.2099 8.12346 9.55026 5.52678 6.12973 numMergedOcc 0
25 mol 194 unq 3 iso 0 dist 8.26119 13.2099 8.12346 5.81844 9.81666 11.0239 numMergedOcc 0
26 mol 194 unq 4 iso 0 dist 8.26119 16.2258 8.83356 9.55026 5.52678 13.0333 numMergedOcc 0
27 mol 194 unq 5 iso 0 dist 8.26119 16.2258 8.83356 5.81844 9.81666 18.6469 numMergedOcc 0
28 mol 194 unq 6 iso 0 dist 8.26119 13.4175 8.2654 9.55026 5.52678 10.1796 numMergedOcc 0
29 mol 194 unq 7 iso 0 dist 8.26119 13.4175 8.2654 5.81844 9.81666 13.5457 numMergedOcc 0
30 mol 194 unq 8 iso 0 dist 9.10338 13.5654 6.26839 7.42146 5.52678 6.66155 numMergedOcc 0
31 mol 194 unq 9 iso 0 dist 9.10338 13.5654 6.26839 14.7061 9.81666 5.4499 numMergedOcc 0
32 mol 194 unq 10 iso 0 dist 9.10338 10.2888 8.12346 7.42146 5.52678 6.12973 numMergedOcc 0
33 mol 194 unq 11 iso 0 dist 9.10338 10.2888 8.12346 14.7061 9.81666 11.0239 numMergedOcc 0
34 mol 194 unq 12 iso 0 dist 9.10338 11.1617 8.83356 7.42146 5.52678 13.0333 numMergedOcc 0
35 mol 194 unq 13 iso 0 dist 9.10338 11.1617 8.83356 14.7061 9.81666 18.6469 numMergedOcc 0
36 mol 194 unq 14 iso 0 dist 9.10338 13.9257 8.2654 7.42146 5.52678 10.1796 numMergedOcc 0
37 mol 194 unq 15 iso 0 dist 9.10338 13.9257 8.2654 14.7061 9.81666 13.5457 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 8.1139 7.9251 8.0751 4.36657 8.22792 7.85475 numMergedOcc 0
39 mol 225 unq 0 iso 0 dist 7.81918 9.6289 6.6561 12.4669 6.53728 4.76151 numMergedOcc 0
40 mol 225 unq 1 iso 0 dist 8.92533 13.617 6.6561 14.9481 6.53728 4.76151 numMergedOcc 0
41 mol 225 unq 2 iso 0 dist 7.55355 5.38295 8.87609 11.802 6.53728 11.5135 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 8.43465 9.51384 7.52281 7.79077 5.74568 4.48907 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 8.43465 10.2047 6.42588 7.79077 5.74568 10.1591 numMergedOcc 0
44 mol 264 unq 2 iso 0 dist 9.84667 9.54944 6.04162 11.6262 5.74568 6.84156 numMergedOcc 0
45 mol 264 unq 3 iso 0 dist 9.84667 12.533 6.14323 11.6262 5.74568 9.37297 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 9.66445 16.3624 9.13907 6.89875 7.41079 12.0308 numMergedOcc 0
