0 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 11.0223 5.00267 13.4523 9.88063 5.02333 9.68798 7.8922 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 6.119 5.55437 8.71372 15.1483 11.0722 15.0589 9.78006 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 6.58998 9.38831 8.24948 8.86116 5.97304 5.11636 6.72502 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.72502 8.09311 9.94429 11.2106 9.40479 17.9724 13.2433 9.48345 19.1966 4.93188 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.72502 8.09311 9.94429 11.2106 9.40479 17.9724 15.5296 13.1456 19.7049 9.24958 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.72502 8.09311 9.94429 5.97304 9.38831 10.8583 8.86116 6.58998 11.6226 6.60423 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 6.72502 8.09311 9.94429 5.97304 9.38831 10.8583 10.5273 11.0493 8.90092 7.83786 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 6.72502 9.05357 6.88355 11.2106 9.40479 11.7085 13.2433 9.48345 13.7225 4.93188 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.72502 9.05357 6.88355 11.2106 9.40479 11.7085 15.5296 13.1456 10.1331 9.24958 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.72502 9.05357 6.88355 5.97304 9.38831 14.2818 8.86116 6.58998 13.1949 6.60423 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 6.72502 9.05357 6.88355 5.97304 9.38831 14.2818 10.5273 11.0493 15.6214 7.83786 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 4.93188 6.6219 8.32592 9.48345 9.40479 14.4379 13.2433 11.2106 18.6847 6.72502 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 4.93188 5.68215 8.10397 9.48345 9.40479 13.0098 13.2433 11.2106 14.8647 6.72502 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 9.24958 8.87744 7.55689 13.1456 9.40479 16.4641 15.5296 11.2106 17.9455 6.72502 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 9.24958 7.27472 5.11135 13.1456 9.40479 13.5399 15.5296 11.2106 14.4081 6.72502 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.05402 7.31982 7.15901 10.5523 5.64171 4.96926 8.44903 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.48048 7.31982 7.15901 5.73819 5.64171 4.96926 8.44903 numMergedOcc 0
17 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 10.5523 7.05402 10.8828 9.93832 numMergedOcc 0
18 mol 43 unq 3 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 5.73819 5.48048 5.07458 8.60739 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 7.21418 8.71286 14.0614 7.88312 7.3094 11.835 5.74857 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 7.21418 8.71286 10.3973 7.88312 7.3094 6.07067 5.74857 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.99056 8.03035 9.57341 10.3704 4.91132 9.68677 7.77116 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 3.78311 8.03035 9.57341 8.73993 4.91132 9.68677 7.77116 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 3.78311 7.6968 9.57341 8.73993 6.08167 9.68677 7.77116 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 9.77552 6.59889 4.71678 7.2238 6.39031 7.1069 10.399 5.70788 4.94983 8.35555 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 9.77552 8.9192 7.11377 7.2238 6.39031 10.6459 10.399 5.70788 5.97582 8.35555 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 8.28642 6.70693 4.71678 5.59336 6.39031 7.1069 5.87555 5.70788 4.94983 8.35555 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 5.4969 9.63417 9.37652 4.24624 7.32419 12.349 9.29945 12.3408 11.0361 8.0154 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 6.4318 9.63417 4.52999 4.24624 8.31961 12.349 9.29945 8.68081 11.0361 8.0154 numMergedOcc 0
29 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 16.1971 9.27818 14.6223 9.56197 numMergedOcc 0
30 mol 186 unq 1 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 18.5854 13.0197 17.6047 7.24795 numMergedOcc 0
31 mol 186 unq 2 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 10.7914 4.37002 12.4091 8.64409 numMergedOcc 0
32 mol 186 unq 3 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 16.7729 9.72941 17.4532 7.60202 numMergedOcc 0
33 mol 186 unq 4 iso 0 dist 7.24795 8.73533 9.40383 13.0197 7.55358 16.9055 18.5854 12.7155 20.8971 7.20574 numMergedOcc 0
34 mol 186 unq 5 iso 0 dist 7.24795 8.73533 9.40383 13.0197 7.55358 16.9055 16.9992 9.97575 17.5454 6.85302 numMergedOcc 0
35 mol 186 unq 6 iso 0 dist 7.24795 8.73533 9.40383 12.9082 7.60991 15.1335 16.9992 9.97575 17.5454 9.98215 numMergedOcc 0
36 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 13.3684 11.5135 17.3148 8.87609 numMergedOcc 0
37 mol 225 unq 1 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 13.3684 11.5135 13.3773 8.87609 numMergedOcc 0
38 mol 225 unq 2 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 13.3684 11.5135 9.9875 8.87609 numMergedOcc 0
39 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 7.22101 11.0628 5.0317 8.03442 numMergedOcc 0
40 mol 227 unq 1 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 8.65997 11.0628 5.0317 8.03442 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 5.87253 9.89583 11.2897 10.0419 14.1055 16.6408 5.52379 numMergedOcc 0
42 mol 238 unq 1 iso 0 dist 7.32982 9.72188 13.0611 10.7551 9.89583 6.53286 12.2442 14.1055 4.48415 5.52379 numMergedOcc 0
43 mol 238 unq 2 iso 0 dist 5.52379 9.07475 6.50998 14.1055 9.89583 14.5645 13.6591 10.7508 14.0933 6.66971 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 5.52379 9.07475 6.50998 14.1055 9.89583 14.5645 10.0419 5.87253 9.06913 6.4398 numMergedOcc 0
45 mol 238 unq 4 iso 0 dist 5.52379 9.07475 6.50998 14.1055 9.89583 14.5645 12.2442 10.7551 17.0707 7.32982 numMergedOcc 0
46 mol 238 unq 5 iso 0 dist 5.52379 6.99888 5.63944 14.1055 9.89583 15.0962 13.6591 10.7508 15.3952 6.66971 numMergedOcc 0
47 mol 238 unq 6 iso 0 dist 5.52379 6.99888 5.63944 14.1055 9.89583 15.0962 10.0419 5.87253 10.2642 6.4398 numMergedOcc 0
48 mol 238 unq 7 iso 0 dist 5.52379 6.99888 5.63944 14.1055 9.89583 15.0962 12.2442 10.7551 16.2734 7.32982 numMergedOcc 0
49 mol 252 unq 0 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 10.5136 6.28227 5.6214 6.53679 numMergedOcc 0
50 mol 252 unq 1 iso 0 dist 6.86945 7.15764 4.34126 7.63376 8.55481 5.9974 7.19638 5.25252 7.40852 7.50201 numMergedOcc 0
51 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 10.4298 6.84156 11.4167 6.04162 numMergedOcc 0
52 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 9.90113 9.37297 13.2035 6.14323 numMergedOcc 0
53 mol 264 unq 2 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 12.864 6.84156 11.4167 6.04162 numMergedOcc 0
54 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 13.9815 9.37297 13.2035 6.14323 numMergedOcc 0
55 mol 264 unq 4 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 10.4298 4.48907 5.71153 7.52281 numMergedOcc 0
56 mol 264 unq 5 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 12.864 10.1591 6.56539 6.42588 numMergedOcc 0
57 mol 264 unq 6 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 9.90113 4.48907 5.71153 7.52281 numMergedOcc 0
58 mol 264 unq 7 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 13.9815 10.1591 6.56539 6.42588 numMergedOcc 0
