0 mol 1 unq 0 iso 0 dist 8.26708 10.5521 7.73435 6.27888 7.27254 11.6921 14.3332 7.94662 9.12196 10.8992 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 6.09918 7.4817 7.73435 4.50502 7.27254 11.6921 9.00903 7.94662 9.12196 10.8992 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.78006 11.0722 5.55437 5.84314 7.05919 8.17486 15.1483 6.119 7.05346 12.8359 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 13.2433 9.48345 4.93188 10.9113 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.72502 11.2106 9.40479 5.11636 8.24948 9.57743 15.5296 13.1456 9.24958 16.707 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 8.86116 6.58998 6.60423 7.95042 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 6.72502 5.97304 9.38831 5.11636 8.24948 4.47891 10.5273 11.0493 7.83786 11.6516 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 10.8828 7.24352 4.69849 10.5523 5.64171 8.44903 6.66407 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 5.07458 7.24352 4.69849 5.73819 5.64171 8.44903 6.66407 numMergedOcc 0
9 mol 43 unq 2 iso 0 dist 8.44903 5.64171 7.31982 4.96926 7.15901 4.55347 10.5523 7.05402 9.93832 6.6263 numMergedOcc 0
10 mol 43 unq 3 iso 0 dist 8.44903 5.64171 7.31982 4.96926 7.15901 4.55347 5.73819 5.48048 8.60739 6.75943 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 5.03039 8.4965 8.80697 7.88312 7.3094 5.74857 11.8378 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 6.9194 9.6121 6.71103 10.3704 4.99056 7.99857 11.2897 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 7.77116 4.91132 8.03035 6.9194 9.6121 6.71103 8.73993 3.78311 8.56342 12.31 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 10.3704 4.99056 7.99857 6.99446 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 7.77116 4.91132 8.03035 9.68677 9.57341 6.29394 8.73993 3.78311 8.56342 7.64052 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 7.77116 6.08167 7.6968 6.9194 9.6121 12.4868 8.73993 3.78311 6.37542 12.31 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 7.77116 6.08167 7.6968 9.68677 9.57341 9.64502 8.73993 3.78311 6.37542 7.64052 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 12.4535 6.92726 5.55763 10.399 5.70788 8.35555 10.4285 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 9.84297 6.92726 5.55763 5.87555 5.70788 8.35555 10.4285 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 10.399 7.2238 9.77552 6.59889 numMergedOcc 0
21 mol 152 unq 3 iso 0 dist 8.35555 5.70788 6.39031 4.94983 7.1069 4.71678 5.87555 5.59336 8.28642 6.70693 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.56197 9.27818 7.55358 6.89047 8.57801 13.0608 16.1971 12.7155 7.20574 19.553 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 9.56197 9.27818 7.55358 6.89047 8.57801 13.0608 15.6447 9.97575 6.85302 17.9507 numMergedOcc 0
24 mol 186 unq 2 iso 0 dist 9.56197 9.55926 7.60991 6.89047 8.57801 11.868 15.6447 9.97575 9.98215 17.9507 numMergedOcc 0
25 mol 186 unq 3 iso 0 dist 7.24795 13.0197 7.55358 3.90244 8.57801 13.0608 18.5854 12.7155 7.20574 19.553 numMergedOcc 0
26 mol 186 unq 4 iso 0 dist 7.24795 13.0197 7.55358 3.90244 8.57801 13.0608 16.9992 9.97575 6.85302 17.9507 numMergedOcc 0
27 mol 186 unq 5 iso 0 dist 7.24795 12.9082 7.60991 3.90244 8.57801 11.868 16.9992 9.97575 9.98215 17.9507 numMergedOcc 0
28 mol 186 unq 6 iso 0 dist 8.64409 4.37002 7.55358 12.6058 8.57801 13.0608 10.7914 12.7155 7.20574 19.553 numMergedOcc 0
29 mol 186 unq 7 iso 0 dist 8.64409 4.37002 7.55358 12.6058 8.57801 13.0608 9.09754 9.97575 6.85302 17.9507 numMergedOcc 0
30 mol 186 unq 8 iso 0 dist 8.64409 4.64235 7.60991 12.6058 8.57801 11.868 9.09754 9.97575 9.98215 17.9507 numMergedOcc 0
31 mol 186 unq 9 iso 0 dist 7.60202 9.72941 7.55358 7.21555 8.57801 13.0608 16.7729 12.7155 7.20574 19.553 numMergedOcc 0
32 mol 186 unq 10 iso 0 dist 7.60202 9.72941 7.55358 7.21555 8.57801 13.0608 14.1487 9.97575 6.85302 17.9507 numMergedOcc 0
33 mol 186 unq 11 iso 0 dist 7.60202 5.39885 7.60991 7.21555 8.57801 11.868 14.1487 9.97575 9.98215 17.9507 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.87609 11.5135 6.53728 17.3148 9.87668 6.35462 13.3684 4.76151 6.6561 6.50998 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 8.87609 11.5135 6.53728 13.3773 8.42121 5.94765 13.3684 4.76151 6.6561 9.09424 numMergedOcc 0
36 mol 225 unq 2 iso 0 dist 8.87609 11.5135 6.53728 3.97158 7.8744 11.6976 13.3684 4.76151 6.6561 11.8802 numMergedOcc 0
37 mol 225 unq 3 iso 0 dist 8.87609 11.5135 6.53728 9.9875 4.98402 11.2847 13.3684 4.76151 6.6561 8.14831 numMergedOcc 0
38 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 4.1511 5.28771 11.2819 7.22101 11.0628 8.03442 9.91384 numMergedOcc 0
39 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 4.69247 5.28771 11.2819 8.65997 11.0628 8.03442 9.91384 numMergedOcc 0
40 mol 227 unq 2 iso 0 dist 8.03442 11.0628 9.56257 5.0317 9.43618 7.3164 7.22101 10.5813 8.38865 5.23634 numMergedOcc 0
41 mol 227 unq 3 iso 0 dist 8.03442 11.0628 9.56257 5.0317 9.43618 7.3164 8.65997 7.22396 5.4694 6.91318 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 13.6591 10.7508 6.66971 14.4013 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 10.0419 5.87253 6.4398 11.1002 numMergedOcc 0
44 mol 238 unq 2 iso 0 dist 5.52379 14.1055 9.89583 4.48415 6.53286 13.0611 12.2442 10.7551 7.32982 9.72188 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 5.6214 5.9974 4.34126 10.5136 7.63376 6.86945 7.15764 numMergedOcc 0
46 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.40852 5.9974 4.34126 7.19638 7.63376 6.86945 7.15764 numMergedOcc 0
47 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 10.4298 6.84156 6.04162 9.19754 numMergedOcc 0
48 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 5.71153 6.02757 5.82131 9.90113 9.37297 6.14323 8.29262 numMergedOcc 0
49 mol 264 unq 2 iso 0 dist 7.52281 4.48907 5.74568 6.87635 8.67231 9.58444 10.4298 6.84156 6.04162 13.8802 numMergedOcc 0
50 mol 264 unq 3 iso 0 dist 7.52281 4.48907 5.74568 6.87635 8.67231 9.58444 9.90113 9.37297 6.14323 13.4196 numMergedOcc 0
51 mol 264 unq 4 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 12.864 6.84156 6.04162 9.19754 numMergedOcc 0
52 mol 264 unq 5 iso 0 dist 6.42588 10.1591 5.74568 6.56539 6.02757 5.82131 13.9815 9.37297 6.14323 8.29262 numMergedOcc 0
53 mol 264 unq 6 iso 0 dist 6.42588 10.1591 5.74568 4.76241 8.67231 9.58444 12.864 6.84156 6.04162 13.8802 numMergedOcc 0
54 mol 264 unq 7 iso 0 dist 6.42588 10.1591 5.74568 4.76241 8.67231 9.58444 13.9815 9.37297 6.14323 13.4196 numMergedOcc 0
55 mol 264 unq 8 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 10.4298 4.48907 7.52281 5.90924 numMergedOcc 0
56 mol 264 unq 9 iso 0 dist 6.04162 6.84156 5.74568 11.4167 7.14086 7.36132 12.864 10.1591 6.42588 9.58916 numMergedOcc 0
57 mol 264 unq 10 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 9.90113 4.48907 7.52281 5.90924 numMergedOcc 0
58 mol 264 unq 11 iso 0 dist 6.14323 9.37297 5.74568 13.2035 7.14086 7.36132 13.9815 10.1591 6.42588 9.58916 numMergedOcc 0
