0 mol 24 unq 0 iso 0 dist 6.72502 8.09311 9.94429 11.2106 9.40479 17.9724 4.79736 11.2038 7.77964 15.5135 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 8.09311 9.94429 5.97304 9.38831 10.8583 4.79736 11.2038 7.77964 7.56164 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.93832 6.6263 4.55347 7.05402 7.31982 7.15901 10.8828 7.24352 8.34145 4.69849 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.60739 6.75943 4.55347 5.48048 7.31982 7.15901 5.07458 7.24352 8.34145 4.69849 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 11.4153 11.8517 9.50614 8.41793 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 8.44903 6.66407 4.69849 5.64171 7.31982 7.24352 4.96926 7.15901 8.34145 4.55347 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 8.63486 9.2898 15.8558 12.8132 6.91393 18.0548 9.67727 13.8403 8.77529 12.917 numMergedOcc 0
7 mol 56 unq 1 iso 0 dist 8.63486 9.2898 15.8558 16.7219 8.40038 22.5119 9.67727 13.8403 8.77529 18.9054 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.65802 9.33861 10.2518 12.1157 8.03028 17.2727 6.95017 12.4442 8.89015 15.6065 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.65802 9.33861 10.2518 7.23437 7.39754 11.7337 6.95017 12.4442 8.89015 8.08435 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.0831 9.89083 11.0597 15.0307 9.92553 20.2479 10.9531 17.0216 9.09348 25.4116 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.72642 9.42082 10.5109 7.21418 8.71286 10.3973 6.01673 10.6602 7.65564 10.6688 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.69515 8.07097 5.25982 9.76015 8.26172 9.18511 13.2918 6.77921 7.92216 10.2834 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 8.41611 5.40637 6.16103 10.8441 5.73236 8.68663 4.78563 13.1913 9.29944 15.2605 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 10.8286 14.6369 8.5672 16.882 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 7.20574 6.61112 8.58039 11.2142 8.87818 13.9314 10.8286 14.6369 8.5672 14.9597 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 6.28241 11.3657 6.46405 6.05548 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 4.664 10.5857 8.85955 14.9695 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.38865 5.23634 7.3164 10.5813 9.56257 9.43618 4.1511 5.28771 6.09335 11.2819 numMergedOcc 0
19 mol 227 unq 2 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 8.49509 10.5857 8.85955 14.9695 numMergedOcc 0
20 mol 227 unq 3 iso 0 dist 5.4694 6.91318 7.3164 7.22396 9.56257 9.43618 4.69247 5.28771 6.09335 11.2819 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.32982 9.72188 13.0611 10.7551 9.89583 6.53286 10.4706 13.4758 4.66186 8.5378 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 5.71153 6.02757 9.78237 5.82131 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 5.70542 11.9664 9.70101 10.0297 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 7.52281 5.90924 7.36132 4.48907 5.74568 7.14086 6.87635 8.67231 9.95798 9.58444 numMergedOcc 0
25 mol 264 unq 3 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 6.56539 6.02757 9.78237 5.82131 numMergedOcc 0
26 mol 264 unq 4 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 10.1301 11.9664 9.70101 10.0297 numMergedOcc 0
27 mol 264 unq 5 iso 0 dist 6.42588 9.58916 7.36132 10.1591 5.74568 7.14086 4.76241 8.67231 9.95798 9.58444 numMergedOcc 0
28 mol 264 unq 6 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 11.4167 7.14086 9.78237 7.36132 numMergedOcc 0
29 mol 264 unq 7 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 13.2035 7.14086 9.78237 7.36132 numMergedOcc 0
