0 mol 46 unq 0 iso 0 dist 9.47718 8.55202 5.91159 8.79378 6.54685 9.44812 8.99132 10.887 5.4713 13.7135 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 7.74131 7.58743 3.45432 9.853 7.37828 5.43879 5.73969 10.2786 9.21761 12.9035 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 7.08403 5.96967 3.52445 3.77247 9.86767 4.30875 7.02358 numMergedOcc 0
3 mol 113 unq 1 iso 0 dist 9.64281 6.12348 7.09333 7.08403 5.96967 3.52445 13.3539 12.94 8.65807 11.6135 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.16999 8.75894 8.71432 8.94636 4.96315 10.1848 4.58529 12.2873 8.09691 12.5142 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 9.76722 9.23064 9.43003 8.97414 3.56227 6.06538 7.13766 6.48066 7.0961 5.86767 numMergedOcc 0
6 mol 168 unq 1 iso 0 dist 9.76722 9.23064 9.43003 8.97414 3.56227 6.06538 7.29489 11.6064 8.26768 10.293 numMergedOcc 0
7 mol 168 unq 2 iso 0 dist 9.76722 9.23064 9.43003 8.00063 6.15982 13.0096 7.13766 6.48066 7.0961 8.89343 numMergedOcc 0
8 mol 168 unq 3 iso 0 dist 9.76722 9.23064 9.43003 8.00063 6.15982 13.0096 7.29489 11.6064 8.26768 12.6485 numMergedOcc 0
9 mol 168 unq 4 iso 0 dist 9.76722 7.30338 8.01699 8.97414 3.56227 9.99868 7.13766 6.48066 8.21227 5.86767 numMergedOcc 0
10 mol 168 unq 5 iso 0 dist 9.76722 7.30338 8.01699 8.00063 6.15982 3.5168 7.13766 6.48066 8.21227 8.89343 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.83308 6.27683 7.0638 7.33643 5.74428 3.59996 3.89732 9.58901 4.11374 6.96715 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.83308 6.27683 7.0638 7.33643 5.74428 3.59996 13.2558 12.3909 8.37602 11.3131 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 8.97159 6.27683 13.7432 7.33643 12.9566 3.59996 3.89732 12.436 4.11374 6.96715 numMergedOcc 0
14 mol 169 unq 3 iso 0 dist 8.97159 6.27683 13.7432 7.33643 12.9566 3.59996 13.2558 20.9055 8.37602 11.3131 numMergedOcc 0
15 mol 169 unq 4 iso 0 dist 8.44483 6.00783 8.55252 7.50458 3.69097 9.60496 4.24401 7.78577 8.6961 5.10589 numMergedOcc 0
16 mol 169 unq 5 iso 0 dist 8.44483 6.00783 8.55252 5.79554 7.14832 10.5251 4.24401 7.78577 8.6961 4.63336 numMergedOcc 0
17 mol 169 unq 6 iso 0 dist 8.44483 6.00783 8.55252 4.22003 8.01356 8.67112 4.24401 7.78577 8.6961 6.10715 numMergedOcc 0
18 mol 169 unq 7 iso 0 dist 9.79864 6.00783 5.37021 7.50458 11.5623 9.60496 4.24401 12.4926 8.6961 5.10589 numMergedOcc 0
19 mol 169 unq 8 iso 0 dist 9.79864 6.00783 5.37021 5.79554 12.6041 10.5251 4.24401 12.4926 8.6961 4.63336 numMergedOcc 0
20 mol 169 unq 9 iso 0 dist 9.79864 6.00783 5.37021 4.22003 10.4049 8.67112 4.24401 12.4926 8.6961 6.10715 numMergedOcc 0
21 mol 169 unq 10 iso 0 dist 9.73241 6.00783 8.90362 7.50458 16.721 9.60496 4.24401 13.7977 8.6961 5.10589 numMergedOcc 0
22 mol 169 unq 11 iso 0 dist 9.73241 6.00783 8.90362 5.79554 14.8989 10.5251 4.24401 13.7977 8.6961 4.63336 numMergedOcc 0
23 mol 169 unq 12 iso 0 dist 9.73241 6.00783 8.90362 4.22003 11.6433 8.67112 4.24401 13.7977 8.6961 6.10715 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 8.59783 6.51523 9.12839 7.06555 14.5273 7.20382 11.244 13.457 9.68512 10.6564 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.80584 7.93715 9.82173 5.05414 9.70184 3.41605 9.20742 13.7402 8.23162 8.79914 numMergedOcc 0
26 mol 192 unq 1 iso 0 dist 9.80584 7.93715 9.82173 7.16964 13.6636 7.59825 9.20742 13.7402 8.23162 12.3292 numMergedOcc 0
27 mol 192 unq 2 iso 0 dist 7.95713 7.93715 9.52963 5.05414 8.12818 3.41605 9.20742 14.5644 8.23162 8.79914 numMergedOcc 0
28 mol 192 unq 3 iso 0 dist 7.95713 7.93715 9.52963 7.16964 10.7274 7.59825 9.20742 14.5644 8.23162 12.3292 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 7.74693 5.76164 3.98113 9.69772 9.30391 6.70299 4.45501 11.3962 8.4338 11.3473 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 8.12306 5.09181 6.01574 5.28731 10.1123 4.98469 5.00843 6.73396 7.73438 8.80238 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 8.12306 8.27917 8.02755 6.73396 5.00843 3.14843 7.01472 10.1649 4.27826 5.88958 numMergedOcc 0
32 mol 285 unq 2 iso 0 dist 8.12306 8.27917 8.02755 6.73396 5.00843 3.14843 11.0045 11.3128 5.82074 7.78121 numMergedOcc 0
