0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 14.5008 13.2247 9.36807 9.96415 6.88805 8.81608 13.156 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 8.39771 17.5575 9.20981 12.9387 4.98336 5.87358 11.6771 4.94189 8.38791 6.35679 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 6.85677 11.7378 8.43904 14.3566 9.22558 6.19042 10.7143 4.39676 6.13374 6.20019 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 9.05626 5.53247 6.89257 10.2152 6.83397 6.79146 9.79608 7.52422 8.9677 4.66904 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 9.05626 5.53247 6.89257 12.8824 7.50049 7.66168 9.79608 7.52422 8.9677 11.1455 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 9.18691 9.53126 7.7056 13.6622 5.72828 7.31468 16.2327 11.903 7.05845 7.63293 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 8.90592 4.85796 7.7056 10.0841 5.72828 7.31468 9.70788 11.903 7.05845 7.63293 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 8.66709 7.00069 7.39644 9.91732 10.7616 7.36102 5.55218 7.10286 5.36254 4.91785 numMergedOcc 0
8 mol 214 unq 0 iso 0 dist 8.47248 15.9026 8.60247 18.1374 10.3105 7.46831 10.1284 7.19184 8.70987 11.1534 numMergedOcc 0
9 mol 218 unq 0 iso 0 dist 9.88212 12.7227 7.17547 11.5094 7.83217 7.13323 20.1988 15.6802 8.61306 13.7327 numMergedOcc 0
10 mol 238 unq 0 iso 0 dist 8.89538 10.4286 7.2766 15.5527 8.87326 6.05141 16.6537 10.0605 8.69525 5.27215 numMergedOcc 0
11 mol 238 unq 1 iso 0 dist 8.89538 10.4286 7.2766 13.8505 5.31152 8.09066 16.6537 10.0605 8.69525 6.13368 numMergedOcc 0
12 mol 282 unq 0 iso 0 dist 8.58671 4.91806 6.85028 11.0247 5.39891 7.32347 11.0043 4.57104 7.52924 5.29852 numMergedOcc 0
13 mol 282 unq 1 iso 0 dist 8.58671 4.91806 6.85028 10.3918 7.76539 8.3411 11.0043 4.57104 7.52924 5.80572 numMergedOcc 0
14 mol 282 unq 2 iso 0 dist 9.51581 10.8603 7.32347 14.1723 5.39891 6.85028 12.8562 5.29852 7.52924 4.57104 numMergedOcc 0
15 mol 282 unq 3 iso 0 dist 9.51581 10.8603 7.32347 16.4085 10.5372 8.3411 12.8562 5.29852 7.52924 5.80572 numMergedOcc 0
