0 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
1 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
2 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
3 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
4 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
5 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
6 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
7 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
8 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
9 mol 98 unq 3 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
10 mol 98 unq 4 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
11 mol 98 unq 5 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
12 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
13 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
14 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
15 mol 134 unq 1 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
16 mol 134 unq 2 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
17 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
18 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
19 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
20 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
21 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
22 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
23 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
24 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
25 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
26 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
27 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
28 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
29 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
30 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
31 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
