0 mol 7 unq 0 iso 0 dist 8.88982 13.9585 7.10621 9.83056 6.09254 7.21217 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.60918 5.05215 4.86568 10.7526 5.64581 6.29703 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 8.19077 6.12182 7.50293 9.81175 7.35595 9.23576 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 9.88504 4.12027 9.01083 10.446 12.3193 8.54906 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 9.60425 5.17524 9.84395 5.38954 6.29427 7.70533 numMergedOcc 0
5 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 9.78409 9.75166 8.40046 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 10.7832 11.5533 6.29026 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 6.29975 4.90674 6.5107 9.71281 8.00493 8.84018 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.29673 9.35671 8.22656 15.9373 15.4455 9.4473 numMergedOcc 0
9 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 21.5487 13.2491 8.89982 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 17.9079 11.5099 8.69888 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 17.938 12.1783 5.08206 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 5.41229 4.51874 6.69288 9.32502 12.2822 8.0974 numMergedOcc 0
13 mol 178 unq 1 iso 0 dist 8.57378 4.51874 6.43573 9.32502 12.4338 8.0974 numMergedOcc 0
14 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 8.14413 5.82028 9.67457 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.61379 9.57016 8.95269 11.3088 5.41021 9.33771 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 15.6817 9.36962 9.79616 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 15.3716 7.18448 9.29703 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 10.3522 4.74041 5.89084 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.15754 14.0876 9.36357 10.3522 4.74041 8.47009 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 6.6281 10.0624 6.56247 11.0631 4.74041 5.89084 numMergedOcc 0
21 mol 234 unq 3 iso 0 dist 6.6281 13.9869 9.36357 11.0631 4.74041 8.47009 numMergedOcc 0
22 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 10.3522 6.16697 5.89084 numMergedOcc 0
23 mol 234 unq 5 iso 0 dist 8.9413 14.0876 6.7625 10.3522 6.16697 8.47009 numMergedOcc 0
24 mol 234 unq 6 iso 0 dist 4.91961 11.5103 9.45496 9.5831 6.16697 5.89084 numMergedOcc 0
25 mol 234 unq 7 iso 0 dist 4.91961 4.98993 6.7625 9.5831 6.16697 8.47009 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.39522 4.88998 6.57393 9.67278 10.8336 6.83152 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 5.99187 5.87189 7.31233 9.67278 12.1448 5.24313 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 6.92721 9.00069 6.16342 5.62744 5.29737 6.37342 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.18588 10.2076 7.4631 12.8152 4.86437 9.72526 numMergedOcc 0
30 mol 258 unq 0 iso 0 dist 5.31858 6.60345 6.42289 8.8726 9.22664 8.58088 numMergedOcc 0
31 mol 259 unq 0 iso 0 dist 6.20344 10.3156 7.46176 18.0859 14.8465 7.93997 numMergedOcc 0
32 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 5.72197 4.58403 5.67266 numMergedOcc 0
33 mol 282 unq 1 iso 0 dist 7.34596 4.36798 8.76532 9.24294 10.5698 5.80981 numMergedOcc 0
34 mol 282 unq 2 iso 0 dist 7.34596 4.36798 8.76532 11.6773 13.108 9.63346 numMergedOcc 0
35 mol 282 unq 3 iso 0 dist 7.12228 4.36798 6.33524 5.72197 5.04235 5.67266 numMergedOcc 0
36 mol 282 unq 4 iso 0 dist 7.12228 4.36798 6.33524 9.24294 8.37652 5.80981 numMergedOcc 0
37 mol 282 unq 5 iso 0 dist 7.12228 4.36798 6.33524 11.6773 8.85797 9.63346 numMergedOcc 0
