0 mol 27 unq 0 iso 0 dist 9.48375 9.62305 15.4799 8.16102 16.7495 10.9668 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 6.85127 9.62305 14.1714 8.16102 12.314 10.9668 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 8.58169 9.62305 12.3417 8.16102 6.16154 10.9668 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 5.72494 8.68825 11.8761 7.85115 11.4876 3.56771 numMergedOcc 0
4 mol 103 unq 1 iso 0 dist 8.70106 8.68825 13.2825 7.85115 11.2795 3.56771 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 8.54701 6.41992 4.8922 8.29395 5.43417 3.98398 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.54701 8.15125 10.7175 8.29395 5.43417 10.1947 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 9.76501 4.86894 5.70415 7.99127 7.57516 4.19541 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.80448 6.3102 10.3367 8.99827 9.26939 10.129 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 8.60157 9.69869 8.92915 7.91749 3.54257 5.51921 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 8.60157 4.7785 6.43817 7.91749 3.54257 4.43652 numMergedOcc 0
11 mol 148 unq 3 iso 0 dist 6.72591 9.69869 5.27089 7.91749 8.03052 5.51921 numMergedOcc 0
12 mol 148 unq 4 iso 0 dist 6.72591 4.7785 6.16168 7.91749 8.03052 4.43652 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.78855 6.25629 10.2679 8.97634 9.29256 9.97049 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 8.59359 9.67177 8.91101 7.96309 3.59609 5.45164 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 8.59359 4.79493 6.48058 7.96309 3.59609 4.48089 numMergedOcc 0
16 mol 150 unq 3 iso 0 dist 6.80192 9.67177 5.24014 7.96309 8.06512 5.45164 numMergedOcc 0
17 mol 150 unq 4 iso 0 dist 6.80192 4.79493 6.14967 7.96309 8.06512 4.48089 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 9.58783 8.75994 11.6512 8.1953 16.4635 15.0192 numMergedOcc 0
19 mol 168 unq 1 iso 0 dist 9.58783 8.75994 11.6512 8.16253 17.6725 12.9336 numMergedOcc 0
20 mol 168 unq 2 iso 0 dist 9.58783 6.80155 14.1838 8.1953 16.4635 7.8982 numMergedOcc 0
21 mol 168 unq 3 iso 0 dist 9.58783 6.80155 14.1838 8.16253 17.6725 6.7031 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 9.0757 5.87728 12.848 9.35481 16.095 8.28234 numMergedOcc 0
23 mol 184 unq 1 iso 0 dist 9.0757 5.87728 12.848 9.11936 7.551 11.5516 numMergedOcc 0
24 mol 184 unq 2 iso 0 dist 9.0757 5.87728 12.848 8.20517 4.75805 9.74321 numMergedOcc 0
25 mol 184 unq 3 iso 0 dist 9.0757 6.71538 6.36605 9.35481 16.095 10.4763 numMergedOcc 0
26 mol 184 unq 4 iso 0 dist 9.0757 6.71538 6.36605 9.11936 7.551 3.67094 numMergedOcc 0
27 mol 184 unq 5 iso 0 dist 9.0757 6.71538 6.36605 8.20517 4.75805 5.06572 numMergedOcc 0
28 mol 184 unq 6 iso 0 dist 9.0757 8.58856 8.2618 9.35481 16.095 15.0094 numMergedOcc 0
29 mol 184 unq 7 iso 0 dist 9.0757 8.58856 8.2618 9.11936 7.551 11.1303 numMergedOcc 0
30 mol 184 unq 8 iso 0 dist 9.0757 8.58856 8.2618 8.20517 4.75805 3.88336 numMergedOcc 0
31 mol 184 unq 9 iso 0 dist 7.51045 6.76009 8.2618 6.03505 4.75805 3.88336 numMergedOcc 0
32 mol 184 unq 10 iso 0 dist 7.51045 6.76009 8.2618 6.30144 11.6574 7.34488 numMergedOcc 0
33 mol 192 unq 0 iso 0 dist 9.67207 8.15486 14.6227 8.42665 9.82858 7.69353 numMergedOcc 0
34 mol 204 unq 0 iso 0 dist 9.3369 9.76751 11.4333 8.50234 6.40044 8.20163 numMergedOcc 0
35 mol 276 unq 0 iso 0 dist 8.0652 7.3327 14.3341 9.97709 16.9357 3.71137 numMergedOcc 0
36 mol 283 unq 0 iso 0 dist 8.07626 6.50648 4.90822 8.3831 9.07999 4.58127 numMergedOcc 0
37 mol 283 unq 1 iso 0 dist 8.07626 6.50648 4.90822 8.44179 5.0232 3.62402 numMergedOcc 0
38 mol 283 unq 2 iso 0 dist 6.3448 6.50648 7.05375 8.3831 7.39416 4.58127 numMergedOcc 0
39 mol 283 unq 3 iso 0 dist 6.3448 6.50648 7.05375 8.44179 5.78526 3.62402 numMergedOcc 0
