0 mol 16 unq 0 iso 0 dist 6.84569 5.46269 5.46498 5.66529 6.58035 5.94084 10.3524 6.70071 6.56335 11.6017 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.84569 5.46269 5.46498 6.32814 8.41862 6.73355 10.3524 6.70071 6.56335 7.40724 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 7.51406 6.4487 8.34347 9.20028 9.16962 11.887 11.4622 13.2876 8.44506 19.4863 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 5.26018 10.3287 7.34143 9.26324 7.18176 4.5482 11.7647 8.9759 9.9052 13.3077 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 7.1203 6.03647 7.34143 6.22409 7.18176 4.5482 11.5664 8.9759 9.9052 13.3077 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 16.145 10.121 7.33422 16.0288 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 13.7941 14.9392 9.00544 22.2111 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 12.3707 12.6602 7.12017 19.9317 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 9.73461 6.08806 5.74857 9.62857 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 9.73461 6.08806 5.74857 13.5029 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 10.4602 4.91132 8.56342 5.85818 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 11.794 6.08167 6.37542 13.4689 numMergedOcc 0
12 mol 209 unq 0 iso 0 dist 6.14896 9.80484 7.56373 4.86181 7.95911 7.19056 9.93982 4.90038 8.41195 11.4242 numMergedOcc 0
13 mol 209 unq 1 iso 0 dist 9.12289 11.2544 7.56373 7.37293 7.95911 7.19056 10.7597 4.90038 8.41195 11.4242 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 12.6432 7.60395 8.48341 13.3287 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 13.5057 10.5813 8.03442 7.1372 numMergedOcc 0
16 mol 227 unq 1 iso 0 dist 7.71761 5.841 7.55216 10.1071 8.83563 11.662 11.0495 9.69537 8.03442 17.6352 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 11.1268 10.216 5.64181 6.44735 numMergedOcc 0
18 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 11.1268 7.83352 5.64181 8.6597 numMergedOcc 0
19 mol 238 unq 2 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 11.1268 7.83352 5.64181 7.47235 numMergedOcc 0
20 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 11.1268 7.83352 5.64181 10.3116 numMergedOcc 0
21 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 11.1268 7.83352 5.64181 6.44735 numMergedOcc 0
22 mol 238 unq 5 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 10.4767 10.216 5.64181 6.44735 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 11.6409 9.32326 6.11473 6.57207 numMergedOcc 0
24 mol 252 unq 1 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 6.97105 5.89666 8.47784 5.2361 numMergedOcc 0
25 mol 252 unq 2 iso 0 dist 7.93609 7.59919 8.1148 5.3935 7.66365 4.23801 13.8364 11.056 6.53679 10.1637 numMergedOcc 0
26 mol 252 unq 3 iso 0 dist 7.93609 9.76823 8.33025 5.3935 7.66365 9.37715 13.8364 11.056 7.50201 10.1637 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 8.30744 7.31951 8.59697 6.39918 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 6.82526 10.9571 9.14619 5.74092 7.47164 7.49174 10.7186 6.04016 5.26434 9.24121 numMergedOcc 0
29 mol 261 unq 1 iso 0 dist 6.82526 10.3274 8.45658 5.74092 7.47164 5.22253 10.7186 6.04016 8.60026 9.24121 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 7.31993 7.33684 9.97651 13.7563 9.09992 10.841 4.80092 4.86504 9.64269 11.7075 numMergedOcc 0
31 mol 272 unq 1 iso 0 dist 7.31993 7.33684 9.97651 5.91451 6.16449 4.72202 4.80092 4.86504 9.64269 7.55161 numMergedOcc 0
32 mol 272 unq 2 iso 0 dist 7.31993 10.4451 8.46116 13.7563 9.09992 5.63139 4.80092 4.86504 8.46061 11.7075 numMergedOcc 0
33 mol 272 unq 3 iso 0 dist 7.31993 10.4451 8.46116 5.91451 6.16449 8.52877 4.80092 4.86504 8.46061 7.55161 numMergedOcc 0
