0 mol 8 unq 0 iso 0 dist 6.27477 4.11115 6.92865 7.55301 8.99126 6.88402 8.37509 11.3728 9.00925 15.3607 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 7.06199 10.2834 8.52254 6.56884 7.41857 6.79455 13.2867 6.73507 8.84148 11.6888 numMergedOcc 0
2 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 6.61225 9.0664 7.92448 7.01007 6.15969 8.6609 12.2829 numMergedOcc 0
3 mol 175 unq 1 iso 0 dist 7.04318 8.21784 6.73365 6.61225 9.0664 7.92448 10.6965 5.50014 6.21546 12.616 numMergedOcc 0
4 mol 175 unq 2 iso 0 dist 7.04318 8.21784 6.73365 6.61225 9.0664 7.92448 12.0647 7.28617 6.03184 9.95921 numMergedOcc 0
5 mol 181 unq 0 iso 0 dist 6.96824 13.2658 9.63295 5.54495 6.93764 10.602 10.7353 5.16386 6.47689 10.2559 numMergedOcc 0
6 mol 218 unq 0 iso 0 dist 5.52981 6.43128 9.88212 10.2333 7.18041 13.5954 10.7321 9.38348 9.86417 15.2122 numMergedOcc 0
7 mol 218 unq 1 iso 0 dist 5.52981 6.43128 9.88212 6.48676 7.17547 12.7227 10.7321 9.38348 9.86417 15.6702 numMergedOcc 0
8 mol 224 unq 0 iso 0 dist 7.69537 9.41461 7.04127 11.3668 8.19953 9.20195 13.2281 6.46679 6.6537 9.04427 numMergedOcc 0
9 mol 224 unq 1 iso 0 dist 7.69537 9.41461 7.04127 11.3668 8.19953 9.20195 7.73616 7.85135 9.08719 15.1149 numMergedOcc 0
10 mol 253 unq 0 iso 0 dist 5.76077 11.6981 8.07341 10.6548 7.19465 14.0411 14.0812 11.4733 9.58767 14.7327 numMergedOcc 0
11 mol 253 unq 1 iso 0 dist 7.0247 12.0836 8.07341 3.494 7.19465 14.0411 12.2223 11.4733 9.58767 14.7327 numMergedOcc 0
12 mol 265 unq 0 iso 0 dist 4.96568 11.7587 7.54805 6.67645 6.34034 8.3872 17.8101 15.4199 9.56472 13.1262 numMergedOcc 0
13 mol 265 unq 1 iso 0 dist 4.96568 11.7587 7.54805 6.67645 6.34034 8.3872 16.7978 12.4903 6.5072 14.5765 numMergedOcc 0
14 mol 265 unq 2 iso 0 dist 4.96568 11.7587 7.54805 6.67645 6.34034 8.3872 9.97669 5.11366 4.03921 9.01586 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 9.27588 11.574 7.72749 10.1704 9.02188 13.5492 17.8125 10.2159 9.58577 18.7065 numMergedOcc 0
16 mol 272 unq 0 iso 0 dist 7.22438 10.4121 4.78812 6.68919 6.73206 6.99865 12.4008 5.96981 7.50321 12.5113 numMergedOcc 0
17 mol 272 unq 1 iso 0 dist 7.22438 10.4121 4.78812 6.68919 6.73206 6.99865 10.2183 6.76845 9.61597 12.8442 numMergedOcc 0
18 mol 272 unq 2 iso 0 dist 7.66615 10.4121 6.62923 6.68919 9.09992 6.99865 12.4008 7.55961 7.50321 12.5113 numMergedOcc 0
19 mol 272 unq 3 iso 0 dist 7.66615 10.4121 6.62923 6.68919 9.09992 6.99865 10.2183 5.43733 9.61597 12.8442 numMergedOcc 0
20 mol 272 unq 4 iso 0 dist 7.66615 10.4121 6.62923 8.13036 6.16449 10.3424 12.4008 7.55961 7.50321 13.6844 numMergedOcc 0
21 mol 272 unq 5 iso 0 dist 7.66615 10.4121 6.62923 8.13036 6.16449 10.3424 10.2183 5.43733 9.61597 11.1067 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 7.90792 5.64349 9.51581 6.63358 7.32347 10.8603 9.40138 5.04235 7.93511 10.0733 numMergedOcc 0
