0 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 5.70643 7.78892 14.5506 10.8741 9.24927 8.95909 13.4993 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 4.99287 8.03754 8.75469 11.0096 8.80331 10.323 14.0204 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 4.99287 8.03754 8.75469 11.8286 6.20293 14.445 13.1056 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.15985 8.86411 6.85381 12.3624 9.90769 5.46269 6.68714 9.60462 12.5148 13.4578 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 7.15985 8.86411 6.85381 12.3624 9.90769 5.46269 6.71889 7.45389 6.38057 6.69178 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 4.24711 8.75778 13.1171 7.54208 8.37808 12.4383 9.00329 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 13.7131 8.75778 13.1171 11.0216 8.37808 12.4383 9.00329 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.28278 4.99299 6.29026 4.74644 8.00624 5.06265 14.5776 8.54584 11.5533 15.4586 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 4.81561 8.41774 7.53439 10.4039 8.56324 9.66339 13.1435 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 4.81561 8.41774 7.53439 11.1874 6.70283 13.9994 13.793 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 4.81561 8.41774 7.53439 8.36099 7.16148 14.2552 11.2124 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.51764 15.3761 8.49704 8.79059 9.92165 17.1631 6.28065 9.65138 12.4611 10.1227 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.51764 15.3761 8.49704 8.79059 9.92165 17.1631 11.2159 7.14453 11.832 6.83063 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 9.51764 15.3761 8.49704 8.79059 9.92165 17.1631 6.53326 8.85478 10.644 12.7439 numMergedOcc 0
14 mol 214 unq 3 iso 0 dist 5.36829 8.72971 8.49704 10.6379 9.92165 17.1631 11.7583 9.65138 12.4611 10.1227 numMergedOcc 0
15 mol 214 unq 4 iso 0 dist 5.36829 8.72971 8.49704 10.6379 9.92165 17.1631 4.98764 7.14453 11.832 6.83063 numMergedOcc 0
16 mol 214 unq 5 iso 0 dist 5.36829 8.72971 8.49704 10.6379 9.92165 17.1631 12.3481 8.85478 10.644 12.7439 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 8.46129 9.97999 7.39839 6.32111 8.80858 5.8656 6.31508 6.65832 7.65225 4.46743 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.46129 9.97999 7.39839 6.32111 8.80858 5.8656 5.72088 6.60589 4.91322 4.93626 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.46129 9.97999 7.39839 6.32111 8.80858 5.8656 6.51315 9.16166 12.979 11.8641 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.37672 11.3437 7.29898 7.08836 6.26142 10.254 9.07501 7.57994 6.6173 5.59015 numMergedOcc 0
21 mol 249 unq 1 iso 0 dist 6.37672 11.3437 7.29898 7.08836 6.26142 10.254 4.24014 6.18582 8.95486 4.77325 numMergedOcc 0
22 mol 249 unq 2 iso 0 dist 6.37672 13.0712 8.91685 7.08836 6.26142 8.81984 9.07501 7.57994 5.25611 5.59015 numMergedOcc 0
23 mol 249 unq 3 iso 0 dist 6.37672 13.0712 8.91685 7.08836 6.26142 8.81984 4.24014 6.18582 9.66184 4.77325 numMergedOcc 0
24 mol 249 unq 4 iso 0 dist 8.94023 11.2158 7.29898 9.91022 6.26142 10.254 9.53929 7.57994 6.6173 5.59015 numMergedOcc 0
25 mol 249 unq 5 iso 0 dist 8.94023 11.2158 7.29898 9.91022 6.26142 10.254 5.36989 6.18582 8.95486 4.77325 numMergedOcc 0
26 mol 249 unq 6 iso 0 dist 8.94023 13.8209 8.91685 9.91022 6.26142 8.81984 9.53929 7.57994 5.25611 5.59015 numMergedOcc 0
27 mol 249 unq 7 iso 0 dist 8.94023 13.8209 8.91685 9.91022 6.26142 8.81984 5.36989 6.18582 9.66184 4.77325 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 5.73834 3.95075 8.58088 5.66907 9.04358 5.27718 6.48867 6.60405 10.221 8.81588 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 5.73834 3.95075 8.58088 5.66907 9.04358 5.27718 7.52881 6.42289 9.22664 5.90131 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 12.5633 4.81916 5.95045 10.8075 9.7748 13.2927 7.94155 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 6.30894 9.24472 12.9291 9.5773 9.70696 5.51096 13.0364 numMergedOcc 0
