0 mol 0 unq 0 iso 0 dist 9.72725 10.5877 5.88757 9.64573 6.94943 4.62412 12.7627 4.22598 8.31596 7.92928 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.72725 14.2251 8.66548 9.64573 6.94943 5.96303 12.7627 4.22598 6.3267 7.92928 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 5.8245 8.27962 9.71516 3.98483 7.05919 7.98363 8.47421 3.91075 9.29529 8.04924 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 5.8245 11.4878 9.81658 3.98483 7.05919 10.4204 8.47421 3.91075 7.2199 8.04924 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 5.8245 11.4878 9.81658 3.98483 7.05919 10.4204 12.6047 8.25089 6.9513 13.1647 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 5.8245 11.4878 9.81658 3.98483 7.05919 10.4204 14.9473 12.0874 9.16116 16.2486 numMergedOcc 0
6 mol 9 unq 4 iso 0 dist 5.8245 11.4878 9.81658 3.98483 7.05919 10.4204 16.8226 14.6279 8.47109 14.0657 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 6.24711 5.32981 7.08559 14.0576 9.58596 16.1649 10.4347 7.52709 8.55901 11.7144 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 6.24711 5.32981 7.08559 14.0576 9.58596 16.1649 13.3092 10.3431 9.03412 17.961 numMergedOcc 0
9 mol 45 unq 0 iso 0 dist 5.94756 7.39653 5.81001 6.18811 7.72462 4.52443 15.6951 11.9463 8.59109 12.5773 numMergedOcc 0
10 mol 45 unq 1 iso 0 dist 5.94756 7.39653 5.81001 6.18811 7.72462 4.52443 6.99408 4.51883 8.13782 7.95778 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.7144 6.95201 5.51885 5.6074 7.59156 4.69847 6.73814 4.81369 8.39249 8.11094 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.35237 8.96357 6.57379 6.02179 8.48313 13.6926 13.0127 9.61537 6.4218 15.6721 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.99477 5.9915 6.57379 10.9332 8.48313 13.6926 8.94837 9.61537 6.4218 15.6721 numMergedOcc 0
14 mol 224 unq 0 iso 0 dist 8.08349 10.7113 5.73591 4.59567 8.54702 8.5129 12.6391 5.93269 4.55996 11.8382 numMergedOcc 0
15 mol 224 unq 1 iso 0 dist 9.78218 11.4252 5.73591 9.48743 8.54702 8.5129 14.4344 5.93269 4.55996 11.8382 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 17.0241 9.57955 16.9887 5.50387 3.92979 8.75834 12.4063 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 8.1945 10.7506 8.91356 17.0241 9.57955 16.9887 17.6316 13.317 7.51827 17.8519 numMergedOcc 0
18 mol 225 unq 2 iso 0 dist 8.1945 10.7506 8.91356 16.6392 9.87668 8.99405 5.50387 3.92979 8.75834 12.5533 numMergedOcc 0
19 mol 225 unq 3 iso 0 dist 8.1945 10.7506 8.91356 16.6392 9.87668 8.99405 17.6316 13.317 7.51827 7.29542 numMergedOcc 0
20 mol 225 unq 4 iso 0 dist 8.1945 7.12954 9.59574 17.0241 9.57955 15.7166 5.50387 3.92979 9.36396 12.4063 numMergedOcc 0
21 mol 225 unq 5 iso 0 dist 8.1945 7.12954 9.59574 16.6392 9.87668 18.6744 5.50387 3.92979 9.36396 12.5533 numMergedOcc 0
22 mol 225 unq 6 iso 0 dist 6.50998 8.69249 8.91356 10.6484 9.57955 16.9887 9.88956 3.92979 8.75834 12.4063 numMergedOcc 0
23 mol 225 unq 7 iso 0 dist 6.50998 8.69249 8.91356 10.6484 9.57955 16.9887 10.7328 13.317 7.51827 17.8519 numMergedOcc 0
24 mol 225 unq 8 iso 0 dist 6.50998 8.69249 8.91356 4.76151 9.87668 8.99405 9.88956 3.92979 8.75834 12.5533 numMergedOcc 0
25 mol 225 unq 9 iso 0 dist 6.50998 8.69249 8.91356 4.76151 9.87668 8.99405 10.7328 13.317 7.51827 7.29542 numMergedOcc 0
26 mol 225 unq 10 iso 0 dist 6.50998 14.2819 9.59574 10.6484 9.57955 15.7166 9.88956 3.92979 9.36396 12.4063 numMergedOcc 0
27 mol 225 unq 11 iso 0 dist 6.50998 14.2819 9.59574 4.76151 9.87668 18.6744 9.88956 3.92979 9.36396 12.5533 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 7.81215 5.56749 9.11572 11.113 9.08151 8.16702 9.5707 11.8229 8.49841 15.1385 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 7.81215 12.1076 7.20293 11.113 9.08151 11.7632 9.5707 11.8229 9.6101 15.1385 numMergedOcc 0
30 mol 234 unq 2 iso 0 dist 7.81215 12.1076 7.20293 11.113 9.08151 11.7632 10.475 6.45373 5.32183 14.3251 numMergedOcc 0
31 mol 234 unq 3 iso 0 dist 5.64285 8.0608 9.11572 5.52595 9.08151 8.16702 11.8897 11.8229 8.49841 15.1385 numMergedOcc 0
32 mol 234 unq 4 iso 0 dist 5.64285 6.29366 7.20293 5.52595 9.08151 11.7632 11.8897 11.8229 9.6101 15.1385 numMergedOcc 0
33 mol 234 unq 5 iso 0 dist 5.64285 6.29366 7.20293 5.52595 9.08151 11.7632 9.39181 6.45373 5.32183 14.3251 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 7.02475 13.037 6.65088 11.0295 numMergedOcc 0
35 mol 238 unq 1 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 7.67322 9.75095 6.5772 7.61203 numMergedOcc 0
36 mol 238 unq 2 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 13.5581 11.7709 8.70193 6.92409 numMergedOcc 0
37 mol 238 unq 3 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 7.19008 6.12722 6.17025 6.89694 numMergedOcc 0
38 mol 238 unq 4 iso 0 dist 9.12776 8.82861 9.84652 11.0349 6.53286 5.88491 11.3465 12.1711 9.0378 11.7654 numMergedOcc 0
39 mol 238 unq 5 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 17.436 13.037 6.65088 11.0295 numMergedOcc 0
40 mol 238 unq 6 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 12.1104 9.75095 6.5772 7.61203 numMergedOcc 0
41 mol 238 unq 7 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 10.7386 11.7709 8.70193 6.92409 numMergedOcc 0
42 mol 238 unq 8 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 15.0465 6.12722 6.17025 6.89694 numMergedOcc 0
43 mol 238 unq 9 iso 0 dist 9.72188 15.5674 9.84652 10.7551 6.53286 5.88491 21.1924 12.1711 9.0378 11.7654 numMergedOcc 0
