0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 6.58998 10.7114 9.38831 8.24948 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 11.2106 13.0257 9.40479 17.9724 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 5.97304 6.60423 9.38831 10.8583 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 11.2106 13.0257 9.40479 11.7085 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 5.97304 6.60423 9.38831 14.2818 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 6.58998 6.72502 9.38831 8.24948 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.38394 6.72502 6.59374 8.09311 6.17155 9.94429 11.2106 15.7639 9.40479 17.9724 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.38394 6.72502 6.59374 8.09311 6.17155 9.94429 5.97304 9.0934 9.38831 10.8583 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.38394 6.72502 6.59374 9.05357 10.3122 6.88355 11.2106 15.7639 9.40479 11.7085 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.38394 6.72502 6.59374 9.05357 10.3122 6.88355 5.97304 9.0934 9.38831 14.2818 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 9.48345 11.2485 9.40479 14.4379 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 14.4162 11.9933 9.58012 16.6774 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 9.48345 11.2485 9.40479 13.0098 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 14.4162 11.9933 9.58012 16.4932 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 13.1456 11.2485 9.40479 16.4641 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 10.0655 11.9933 9.58012 11.3572 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 13.1456 11.2485 9.40479 13.5399 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 10.0655 11.9933 9.58012 7.96195 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 6.75943 4.96926 4.55347 5.48048 8.44903 7.31982 7.15901 numMergedOcc 0
19 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 5.64171 8.60739 7.31982 7.24352 numMergedOcc 0
20 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 7.05402 10.0649 7.31982 7.15901 numMergedOcc 0
21 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 5.48048 10.0649 7.31982 7.15901 numMergedOcc 0
22 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 6.75943 10.0383 4.55347 5.48048 13.5072 7.31982 7.15901 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 7.69765 10.3209 7.27912 7.21418 10.0289 8.71286 14.0614 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 7.21418 10.0289 8.71286 10.3973 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 7.21418 10.9766 8.71286 14.0614 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 7.21418 10.9766 8.71286 10.3973 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 7.21418 5.74857 8.71286 14.0614 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 7.21418 5.74857 8.71286 10.3973 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 3.78311 7.77116 8.03035 9.57341 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.73993 6.37542 6.08167 7.64052 9.68677 9.64502 3.78311 7.77116 7.6968 9.57341 numMergedOcc 0
31 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 4.99056 13.1741 8.03035 9.57341 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 10.8441 13.4668 5.73236 13.5717 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 10.8441 13.4668 5.73236 8.68663 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 5.59336 8.35555 6.39031 7.1069 numMergedOcc 0
35 mol 152 unq 1 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 7.2238 10.4911 6.39031 7.1069 numMergedOcc 0
36 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 7.2238 10.4911 6.39031 10.6459 numMergedOcc 0
37 mol 152 unq 3 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 5.59336 10.4911 6.39031 7.1069 numMergedOcc 0
38 mol 152 unq 4 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 5.59336 13.0858 6.39031 7.1069 numMergedOcc 0
39 mol 175 unq 0 iso 0 dist 9.29945 5.4969 12.3408 9.63417 11.0361 9.37652 4.24624 8.0154 7.32419 12.349 numMergedOcc 0
40 mol 175 unq 1 iso 0 dist 9.29945 6.4318 8.68081 9.63417 11.0361 4.52999 4.24624 8.0154 8.31961 12.349 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 12.7155 15.9107 7.55358 14.0095 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 11.2142 15.8402 8.87818 13.9314 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 10.5813 8.03442 9.56257 9.43618 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 7.22396 8.03442 9.56257 9.43618 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 10.5813 12.2278 9.56257 9.43618 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.72188 7.06793 13.0611 10.7551 11.2809 9.89583 6.53286 numMergedOcc 0
47 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 7.15764 7.40852 4.34126 7.63376 7.50201 8.55481 5.9974 numMergedOcc 0
48 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 9.37297 15.2775 5.74568 6.02757 numMergedOcc 0
