0 mol 7 unq 0 iso 0 dist 8.05125 7.15434 9.17482 7.29541 12.166 5.72491 11.9621 14.6131 12.2041 7.88043 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 5.41248 4.92734 7.36147 9.91124 14.3294 7.3915 13.8619 18.578 12.4076 6.82379 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 5.41248 4.92734 7.36147 9.91124 14.3294 7.3915 12.8381 16.0854 9.22548 6.24978 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 5.41248 4.92734 7.36147 9.91124 14.3294 7.3915 11.723 13.285 7.96511 9.66439 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.62469 9.17086 5.39546 8.33667 11.9259 9.93832 10.615 12.2906 8.13395 8.60739 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.7939 8.16299 7.80518 11.9686 15.5713 8.85586 10.8051 14.3327 8.07446 5.16364 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.85356 8.16299 11.6012 11.9686 18.1511 8.85586 10.8051 16.6475 8.07446 5.16364 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.44695 8.27015 7.80518 16.4476 15.5713 8.85586 13.7608 14.3327 8.07446 5.16364 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 7.88143 7.00285 13.0429 10.8678 15.3406 5.88354 10.3108 17.2428 4.50554 7.89665 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 7.88143 7.00285 13.0429 10.8678 15.3406 5.88354 13.7866 17.6762 7.40461 5.39354 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 7.88143 7.00285 13.0429 10.8678 15.3406 5.88354 11.8527 13.699 7.72877 5.74854 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 7.88143 7.00285 13.0429 10.8678 15.3406 5.88354 17.2653 23.0652 10.51 8.76566 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 7.88143 7.00285 13.0429 10.8678 15.3406 5.88354 19.5694 23.9478 13.5683 8.8368 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 6.62952 7.00285 11.5098 10.8678 16.4455 5.88354 10.3108 14.2868 4.50554 7.89665 numMergedOcc 0
14 mol 98 unq 6 iso 0 dist 6.62952 7.00285 11.5098 10.8678 16.4455 5.88354 13.7866 17.8514 7.40461 5.39354 numMergedOcc 0
15 mol 98 unq 7 iso 0 dist 6.62952 7.00285 11.5098 10.8678 16.4455 5.88354 11.8527 15.8069 7.72877 5.74854 numMergedOcc 0
16 mol 98 unq 8 iso 0 dist 6.62952 7.00285 11.5098 10.8678 16.4455 5.88354 17.2653 21.7908 10.51 8.76566 numMergedOcc 0
17 mol 98 unq 9 iso 0 dist 6.62952 7.00285 11.5098 10.8678 16.4455 5.88354 19.5694 24.8993 13.5683 8.8368 numMergedOcc 0
18 mol 98 unq 10 iso 0 dist 4.3521 8.02354 11.5098 13.5865 16.4455 5.88354 10.1372 14.2868 4.50554 7.89665 numMergedOcc 0
19 mol 98 unq 11 iso 0 dist 4.3521 8.02354 11.5098 13.5865 16.4455 5.88354 14.6816 17.8514 7.40461 5.39354 numMergedOcc 0
20 mol 98 unq 12 iso 0 dist 4.3521 8.02354 11.5098 13.5865 16.4455 5.88354 13.7128 15.8069 7.72877 5.74854 numMergedOcc 0
21 mol 98 unq 13 iso 0 dist 4.3521 8.02354 11.5098 13.5865 16.4455 5.88354 17.8475 21.7908 10.51 8.76566 numMergedOcc 0
22 mol 98 unq 14 iso 0 dist 4.3521 8.02354 11.5098 13.5865 16.4455 5.88354 21.577 24.8993 13.5683 8.8368 numMergedOcc 0
23 mol 98 unq 15 iso 0 dist 7.14505 9.00692 6.07909 9.70366 10.8208 8.8368 15.3566 16.4597 13.5683 5.88354 numMergedOcc 0
24 mol 98 unq 16 iso 0 dist 7.14505 9.00692 6.07909 9.70366 10.8208 8.8368 16.4982 17.4078 13.0697 7.89665 numMergedOcc 0
25 mol 98 unq 17 iso 0 dist 7.14505 9.00692 6.07909 9.70366 10.8208 8.8368 13.0945 10.9966 8.31884 5.39354 numMergedOcc 0
26 mol 98 unq 18 iso 0 dist 7.14505 9.00692 6.07909 9.70366 10.8208 8.8368 13.036 11.8572 11.569 5.74854 numMergedOcc 0
27 mol 98 unq 19 iso 0 dist 7.14505 9.00692 6.07909 9.70366 10.8208 8.8368 13.8315 12.4198 6.66172 8.76566 numMergedOcc 0
28 mol 98 unq 20 iso 0 dist 4.7588 6.26542 6.07909 7.63357 10.8208 8.8368 13.5014 16.4597 13.5683 5.88354 numMergedOcc 0
29 mol 98 unq 21 iso 0 dist 4.7588 6.26542 6.07909 7.63357 10.8208 8.8368 14.6204 17.4078 13.0697 7.89665 numMergedOcc 0
30 mol 98 unq 22 iso 0 dist 4.7588 6.26542 6.07909 7.63357 10.8208 8.8368 10.0471 10.9966 8.31884 5.39354 numMergedOcc 0
31 mol 98 unq 23 iso 0 dist 4.7588 6.26542 6.07909 7.63357 10.8208 8.8368 10.465 11.8572 11.569 5.74854 numMergedOcc 0
32 mol 98 unq 24 iso 0 dist 4.7588 6.26542 6.07909 7.63357 10.8208 8.8368 11.3239 12.4198 6.66172 8.76566 numMergedOcc 0
33 mol 131 unq 0 iso 0 dist 9.14809 9.33945 14.651 11.8905 16.7982 8.86329 14.2573 19.7431 5.55373 8.71039 numMergedOcc 0
34 mol 131 unq 1 iso 0 dist 6.45169 9.33945 7.47571 11.8905 14.4427 8.86329 14.2573 12.885 5.55373 8.71039 numMergedOcc 0
35 mol 171 unq 0 iso 0 dist 8.42643 7.13441 5.60928 6.15895 9.77285 5.10618 12.2067 10.307 7.31409 7.71426 numMergedOcc 0
36 mol 171 unq 1 iso 0 dist 8.42643 7.13441 5.60928 6.15895 9.77285 5.10618 14.894 19.1925 13.7214 9.86681 numMergedOcc 0
37 mol 218 unq 0 iso 0 dist 9.11823 4.851 5.97687 11.3699 13.5097 9.20961 9.89546 7.92547 6.17651 6.29367 numMergedOcc 0
38 mol 218 unq 1 iso 0 dist 9.11823 4.851 5.97687 11.3699 13.5097 9.20961 9.66527 9.43397 5.61978 5.76954 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.99609 8.7419 4.81992 7.26742 5.98014 7.862 15.7704 10.6512 10.5806 9.2581 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 7.99609 8.7419 4.81992 7.26742 5.98014 7.862 12.9952 5.03763 6.9154 9.62632 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.77828 5.67917 5.65008 6.85179 10.9992 6.66971 8.96639 10.5857 5.40359 6.4398 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 5.77828 5.67917 5.65008 6.85179 10.9992 6.66971 12.6253 14.6188 10.0191 7.32982 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 5.77828 8.96639 10.5857 6.85179 10.9992 6.4398 5.67917 5.65008 5.40359 6.66971 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 5.77828 8.96639 10.5857 6.85179 10.9992 6.4398 12.6253 14.6188 10.1648 7.32982 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 8.73425 8.21585 5.90131 12.2193 12.869 7.99477 10.7821 8.81588 7.26417 6.70815 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 8.73425 8.21585 5.90131 8.45446 12.8643 7.86627 10.6274 9.68064 5.30627 7.93574 numMergedOcc 0
47 mol 258 unq 2 iso 0 dist 9.65711 8.21585 4.51422 12.2193 12.3875 7.99477 10.7821 11.1234 7.26417 6.70815 numMergedOcc 0
48 mol 258 unq 3 iso 0 dist 9.65711 8.21585 4.51422 8.45446 10.8981 7.86627 10.6274 4.99997 5.30627 7.93574 numMergedOcc 0
49 mol 276 unq 0 iso 0 dist 7.01597 8.54938 5.49958 5.38576 4.92907 7.88706 11.8795 7.18694 10.6102 6.70215 numMergedOcc 0
50 mol 276 unq 1 iso 0 dist 7.01597 8.54938 5.49958 5.38576 4.92907 7.88706 11.2326 5.55879 6.19843 7.25423 numMergedOcc 0
51 mol 276 unq 2 iso 0 dist 7.01597 8.54938 5.49958 5.38576 4.92907 7.88706 11.2314 11.4256 12.4616 7.23916 numMergedOcc 0
