0 mol 8 unq 0 iso 0 dist 6.82379 13.7792 8.94096 15.4959 9.07858 11.3346 4.94497 8.77457 12.7056 16.8602 numMergedOcc 0
1 mol 8 unq 0 iso 1 dist 6.82379 15.4959 9.07858 13.7792 8.94096 11.3346 4.94497 8.77457 16.8602 12.7056 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.24978 10.6893 8.94096 12.0818 9.07858 11.3346 5.61772 8.77457 12.7056 16.8602 numMergedOcc 0
3 mol 8 unq 1 iso 1 dist 6.24978 12.0818 9.07858 10.6893 8.94096 11.3346 5.61772 8.77457 16.8602 12.7056 numMergedOcc 0
4 mol 8 unq 2 iso 0 dist 9.66439 13.8882 8.94096 11.4738 9.07858 11.3346 10.4848 8.77457 12.7056 16.8602 numMergedOcc 0
5 mol 8 unq 2 iso 1 dist 9.66439 11.4738 9.07858 13.8882 8.94096 11.3346 10.4848 8.77457 16.8602 12.7056 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 7.3915 12.8924 8.94096 4.85329 9.07858 11.3346 14.1378 8.77457 12.7056 16.8602 numMergedOcc 0
7 mol 8 unq 3 iso 1 dist 7.3915 4.85329 9.07858 12.8924 8.94096 11.3346 14.1378 8.77457 16.8602 12.7056 numMergedOcc 0
8 mol 13 unq 0 iso 0 dist 5.78148 13.1699 8.00865 11.1987 9.11447 9.40499 4.56335 7.98679 15.907 15.0129 numMergedOcc 0
9 mol 13 unq 0 iso 1 dist 5.78148 11.1987 9.11447 13.1699 8.00865 9.40499 4.56335 7.98679 15.0129 15.907 numMergedOcc 0
10 mol 13 unq 1 iso 0 dist 6.26071 10.5634 8.00865 12.0488 9.11447 9.40499 8.87621 7.98679 15.907 15.0129 numMergedOcc 0
11 mol 13 unq 1 iso 1 dist 6.26071 12.0488 9.11447 10.5634 8.00865 9.40499 8.87621 7.98679 15.0129 15.907 numMergedOcc 0
12 mol 13 unq 2 iso 0 dist 8.43325 8.66829 8.00865 14.2112 9.11447 9.40499 12.9999 7.98679 15.907 15.0129 numMergedOcc 0
13 mol 13 unq 2 iso 1 dist 8.43325 14.2112 9.11447 8.66829 8.00865 9.40499 12.9999 7.98679 15.0129 15.907 numMergedOcc 0
14 mol 44 unq 0 iso 0 dist 7.52117 5.87283 9.17518 10.6223 8.21833 6.81119 4.55437 7.03307 9.05795 11.814 numMergedOcc 0
15 mol 44 unq 0 iso 1 dist 7.52117 10.6223 8.21833 5.87283 9.17518 6.81119 4.55437 7.03307 11.814 9.05795 numMergedOcc 0
16 mol 44 unq 1 iso 0 dist 7.52117 5.87283 9.17518 10.6223 8.21833 6.81119 6.16231 7.25707 6.37181 7.77924 numMergedOcc 0
17 mol 44 unq 1 iso 1 dist 7.52117 10.6223 8.21833 5.87283 9.17518 6.81119 6.16231 7.25707 7.77924 6.37181 numMergedOcc 0
18 mol 130 unq 0 iso 0 dist 9.28592 10.3933 6.82089 9.16988 5.38314 6.09983 8.01932 9.13191 6.08911 10.0581 numMergedOcc 0
19 mol 130 unq 0 iso 1 dist 9.28592 9.16988 5.38314 10.3933 6.82089 6.09983 8.01932 9.13191 10.0581 6.08911 numMergedOcc 0
20 mol 130 unq 1 iso 0 dist 9.28592 10.3933 6.82089 9.16988 5.38314 6.09983 6.75397 6.95405 11.562 7.20197 numMergedOcc 0
21 mol 130 unq 1 iso 1 dist 9.28592 9.16988 5.38314 10.3933 6.82089 6.09983 6.75397 6.95405 7.20197 11.562 numMergedOcc 0
22 mol 147 unq 0 iso 0 dist 5.49226 5.08802 5.1101 10.1972 7.01133 6.46698 11.1681 7.25644 10.7872 7.66774 numMergedOcc 0
23 mol 147 unq 0 iso 1 dist 5.49226 10.1972 7.01133 5.08802 5.1101 6.46698 11.1681 7.25644 7.66774 10.7872 numMergedOcc 0
24 mol 147 unq 1 iso 0 dist 6.28351 8.59354 5.1101 8.54341 7.01133 6.46698 5.50251 7.25644 10.7872 7.66774 numMergedOcc 0
25 mol 147 unq 1 iso 1 dist 6.28351 8.54341 7.01133 8.59354 5.1101 6.46698 5.50251 7.25644 7.66774 10.7872 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 7.72144 13.9336 9.47362 6.53652 6.28417 15.1287 5.27847 6.51014 12.7281 4.70993 numMergedOcc 0
27 mol 154 unq 0 iso 1 dist 7.72144 6.53652 6.28417 13.9336 9.47362 15.1287 5.27847 6.51014 4.70993 12.7281 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.51749 5.4601 7.345 10.0524 9.52987 6.33699 5.6044 7.11785 9.87435 14.6648 numMergedOcc 0
29 mol 181 unq 0 iso 1 dist 6.51749 10.0524 9.52987 5.4601 7.345 6.33699 5.6044 7.11785 14.6648 9.87435 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 7.20392 6.14208 7.345 5.95965 9.52987 6.33699 12.9468 7.11785 9.87435 14.6648 numMergedOcc 0
31 mol 181 unq 1 iso 1 dist 7.20392 5.95965 9.52987 6.14208 7.345 6.33699 12.9468 7.11785 14.6648 9.87435 numMergedOcc 0
32 mol 218 unq 0 iso 0 dist 6.29367 6.05563 6.86795 8.36122 6.61099 9.17818 4.92618 8.3087 5.89482 6.65167 numMergedOcc 0
33 mol 218 unq 0 iso 1 dist 6.29367 8.36122 6.61099 6.05563 6.86795 9.17818 4.92618 8.3087 6.65167 5.89482 numMergedOcc 0
34 mol 218 unq 1 iso 0 dist 5.76954 9.68444 6.86795 7.47048 6.61099 9.17818 7.84019 8.3087 5.89482 6.65167 numMergedOcc 0
35 mol 218 unq 1 iso 1 dist 5.76954 7.47048 6.61099 9.68444 6.86795 9.17818 7.84019 8.3087 6.65167 5.89482 numMergedOcc 0
36 mol 218 unq 2 iso 0 dist 9.20961 11.4148 6.86795 12.7963 6.61099 9.17818 10.9043 8.3087 5.89482 6.65167 numMergedOcc 0
37 mol 218 unq 2 iso 1 dist 9.20961 12.7963 6.61099 11.4148 6.86795 9.17818 10.9043 8.3087 6.65167 5.89482 numMergedOcc 0
38 mol 239 unq 0 iso 0 dist 8.67805 10.0774 7.18771 9.8202 7.94894 4.89061 5.05321 5.0804 5.2908 5.91881 numMergedOcc 0
39 mol 239 unq 0 iso 1 dist 8.67805 9.8202 7.94894 10.0774 7.18771 4.89061 5.05321 5.0804 5.91881 5.2908 numMergedOcc 0
40 mol 282 unq 0 iso 0 dist 5.23193 7.30164 9.96468 8.36249 9.59817 5.50511 7.55098 8.53065 6.18986 10.2999 numMergedOcc 0
41 mol 282 unq 0 iso 1 dist 5.23193 8.36249 9.59817 7.30164 9.96468 5.50511 7.55098 8.53065 10.2999 6.18986 numMergedOcc 0
42 mol 282 unq 1 iso 0 dist 5.23193 7.30164 9.96468 8.36249 9.59817 5.50511 6.46616 8.67489 9.09482 6.21176 numMergedOcc 0
43 mol 282 unq 1 iso 1 dist 5.23193 8.36249 9.59817 7.30164 9.96468 5.50511 6.46616 8.67489 6.21176 9.09482 numMergedOcc 0
