0 mol 16 unq 0 iso 0 dist 7.63133 5.46498 5.32694 6.56335 10.454 6.70071 9.81307 8.43054 11.1513 15.8645 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.63133 8.71745 10.4155 6.56335 10.454 4.50891 9.81307 8.43054 16.7405 15.8645 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 6.72502 6.58998 6.59374 5.11636 7.95042 10.9819 8.24948 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 11.6226 8.09311 16.0162 10.8583 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 6.86014 10.0952 6.60423 5.97304 6.00575 13.1949 9.05357 16.8554 14.2818 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.03987 7.31767 4.51512 5.81959 8.4666 7.63409 4.77954 7.99919 11.0249 8.52777 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.60739 5.64171 9.06158 5.07458 6.66407 10.0168 7.24352 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 8.60739 5.64171 11.3891 5.07458 6.66407 10.9975 7.24352 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.19965 7.97049 5.42586 7.1589 5.08358 6.37974 4.41789 7.7068 10.2413 10.7316 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.33898 9.64443 13.1316 6.61823 6.08245 7.24315 4.3481 7.06939 12.4681 6.9223 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.33898 9.64443 13.1316 6.49956 6.86728 12.163 4.3481 7.06939 12.4681 7.0561 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.64443 9.33898 13.1316 6.61823 7.24315 6.08245 5.31547 9.36001 10.9241 6.98037 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 9.64443 9.33898 13.1316 6.49956 12.163 6.86728 5.31547 9.36001 10.9241 11.0654 numMergedOcc 0
13 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 7.26086 7.32662 13.4985 3.9764 5.10496 5.92242 8.75597 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 7.26086 7.32662 6.934 3.9764 5.10496 5.2571 8.75597 numMergedOcc 0
15 mol 98 unq 2 iso 0 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 3.9764 5.92242 5.10496 8.75597 numMergedOcc 0
16 mol 98 unq 3 iso 0 dist 6.48948 5.08437 9.51923 7.26086 13.4985 7.32662 7.03983 7.02507 9.89095 13.4099 numMergedOcc 0
17 mol 98 unq 4 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 3.9764 5.92242 5.2571 8.75597 numMergedOcc 0
18 mol 98 unq 5 iso 0 dist 6.48948 6.10456 9.42358 7.26086 13.4985 6.934 7.03983 7.02507 12.7417 13.4099 numMergedOcc 0
19 mol 98 unq 6 iso 0 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 10.4782 7.54889 9.81956 12.2279 numMergedOcc 0
20 mol 98 unq 7 iso 0 dist 6.10456 5.08437 8.40073 7.26086 6.934 7.32662 3.9764 5.2571 5.10496 8.75597 numMergedOcc 0
21 mol 98 unq 8 iso 0 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 10.4782 7.54889 10.8223 12.2279 numMergedOcc 0
22 mol 98 unq 9 iso 0 dist 6.10456 6.48948 9.42358 7.26086 6.934 13.4985 3.9764 5.2571 5.92242 8.75597 numMergedOcc 0
23 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 5.72642 5.61704 6.4497 5.03039 6.04595 10.5599 8.4965 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 5.72642 5.61704 7.3094 5.03039 6.04595 11.8378 8.4965 numMergedOcc 0
25 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 5.72642 6.4497 5.61704 6.01673 6.24825 13.22 10.6602 numMergedOcc 0
26 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 5.72642 6.4497 7.3094 6.01673 6.24825 10.0255 10.6602 numMergedOcc 0
27 mol 115 unq 4 iso 0 dist 6.11741 7.88312 7.69052 5.74857 6.08806 7.21418 6.07067 6.39384 9.42082 10.3973 numMergedOcc 0
28 mol 115 unq 5 iso 0 dist 7.88312 6.11741 7.69052 5.74857 7.21418 6.08806 11.835 7.69765 13.4105 14.0614 numMergedOcc 0
29 mol 115 unq 6 iso 0 dist 7.88312 6.11741 7.69052 5.74857 7.21418 6.08806 6.07067 9.42082 6.39384 10.3973 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 8.20836 9.4027 5.12325 7.41373 9.33094 8.69531 5.11043 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 6.49416 6.54501 5.00526 5.53031 8.46636 5.35679 12.3479 9.33094 11.2896 15.5709 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 12.8086 9.1998 11.0808 6.99345 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 9.86662 8.94367 6.81259 8.20836 5.12325 9.4027 7.41373 8.69531 9.33094 5.11043 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 8.35555 5.59336 10.9728 4.94983 6.70693 10.4895 7.1069 numMergedOcc 0
35 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 4.92088 10.1489 8.27339 6.42973 7.06025 10.0638 8.25282 numMergedOcc 0
36 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 4.92088 10.1489 9.79302 6.42973 7.06025 13.2692 8.25282 numMergedOcc 0
37 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 4.92088 10.1489 8.65097 6.42973 7.06025 15.0672 8.25282 numMergedOcc 0
38 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 6.51749 13.8722 5.93488 12.9532 9.76212 13.2783 16.2165 numMergedOcc 0
39 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 6.51749 13.8722 7.64267 12.9532 9.76212 18.2853 16.2165 numMergedOcc 0
40 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 9.53265 9.78634 12.8149 15.493 numMergedOcc 0
41 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 6.35474 5.64942 6.97962 11.7494 numMergedOcc 0
42 mol 192 unq 2 iso 0 dist 5.59424 7.00794 5.76246 7.24199 7.0057 8.51255 5.25965 7.43054 6.79229 11.7133 numMergedOcc 0
43 mol 192 unq 3 iso 0 dist 7.00794 5.59424 5.76246 7.24199 8.51255 7.0057 6.35474 6.97962 5.64942 11.7494 numMergedOcc 0
44 mol 192 unq 4 iso 0 dist 7.00794 5.59424 5.76246 7.24199 8.51255 7.0057 5.25965 6.79229 7.43054 11.7133 numMergedOcc 0
45 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 8.37597 4.59567 6.77927 5.13732 8.08349 11.2501 8.54702 numMergedOcc 0
46 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.03442 10.5813 10.2525 5.0317 5.23634 10.7855 9.43618 numMergedOcc 0
47 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 8.03442 10.5813 7.22396 5.0317 5.23634 6.91318 9.43618 numMergedOcc 0
48 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 8.03442 10.5813 6.10296 5.0317 5.23634 11.2661 9.43618 numMergedOcc 0
49 mol 227 unq 3 iso 0 dist 7.22101 7.55216 12.4689 8.03442 10.5813 9.69537 5.0317 5.23634 12.3663 9.43618 numMergedOcc 0
50 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 8.03442 7.22396 10.2525 5.0317 6.91318 10.7855 9.43618 numMergedOcc 0
51 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 8.03442 7.22396 10.5813 5.0317 6.91318 5.23634 9.43618 numMergedOcc 0
52 mol 227 unq 6 iso 0 dist 8.65997 7.56888 9.70012 8.03442 7.22396 6.10296 5.0317 6.91318 11.2661 9.43618 numMergedOcc 0
53 mol 227 unq 7 iso 0 dist 8.65997 7.55216 12.9332 8.03442 7.22396 9.69537 5.0317 6.91318 12.3663 9.43618 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 5.64181 7.83352 10.216 10.3162 9.12776 8.69015 12.1568 numMergedOcc 0
55 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 7.50201 7.63376 11.056 7.40852 7.15764 13.1298 5.9974 numMergedOcc 0
56 mol 252 unq 1 iso 0 dist 7.19638 9.2288 11.7918 7.50201 7.63376 5.23748 7.40852 7.15764 10.5687 5.9974 numMergedOcc 0
