0 mol 43 unq 0 iso 0 dist 9.93832 10.8828 7.24352 17.3252 8.41793 9.50614 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 9.93832 10.8828 7.24352 6.6263 4.55347 8.34145 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60739 5.07458 7.24352 13.8936 8.41793 9.50614 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60739 5.07458 7.24352 6.75943 4.55347 8.34145 numMergedOcc 0
4 mol 43 unq 4 iso 0 dist 8.44903 4.96926 7.15901 6.66407 4.69849 8.34145 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 8.63486 6.15355 5.07125 14.0014 12.931 9.47401 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 6.56212 4.88345 8.66724 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 12.8197 8.11408 9.99441 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 9.81831 9.34182 5.71763 15.9513 7.92049 7.23305 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 9.12858 12.0103 5.71763 16.9296 7.92049 7.23305 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 9.4523 12.9351 5.71763 15.7468 7.92049 7.23305 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.44561 4.65519 6.46343 8.11052 5.14267 5.42044 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.43433 10.5563 5.43933 16.0815 10.4065 6.96745 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.92283 12.6108 5.43933 19.115 10.4065 6.96745 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 8.33077 7.21225 6.5739 6.93139 6.76477 7.5573 numMergedOcc 0
15 mol 130 unq 1 iso 0 dist 8.33077 7.21225 6.5739 10.5849 8.57078 9.58633 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 18.1131 11.1905 5.78982 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 7.36779 4.46337 5.11043 9.66543 4.935 8.62504 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 8.20836 16.4114 8.48313 19.209 11.1905 5.78982 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 8.20836 7.41373 5.11043 7.21868 4.935 8.62504 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.69515 13.2918 6.77921 8.07097 5.25982 7.92216 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 7.86572 13.4066 6.77921 11.5913 5.25982 7.92216 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 7.25673 4.78563 8.612 5.40637 6.78032 9.29944 numMergedOcc 0
23 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 10.7199 8.5768 8.75024 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 4.92088 6.42973 8.25282 9.79683 7.323 7.86352 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 9.83476 13.6744 7.04815 14.3269 5.40422 5.67168 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 9.83476 15.0914 6.07389 15.3662 6.81727 8.36129 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 9.83476 15.0914 6.07389 14.3269 5.40422 5.86483 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 6.60567 5.41635 6.34234 8.9507 10.9712 8.22795 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 6.60567 11.9954 7.87972 14.4992 8.68163 6.396 numMergedOcc 0
30 mol 195 unq 2 iso 0 dist 7.62942 6.04871 6.34234 12.662 10.9712 8.22795 numMergedOcc 0
31 mol 195 unq 3 iso 0 dist 7.62942 8.04534 7.87972 11.8893 8.68163 6.396 numMergedOcc 0
32 mol 207 unq 0 iso 0 dist 8.32218 14.0642 8.78061 12.2823 5.47626 4.76113 numMergedOcc 0
33 mol 207 unq 1 iso 0 dist 7.96797 4.56899 8.78061 5.12567 5.47626 4.76113 numMergedOcc 0
34 mol 225 unq 0 iso 0 dist 8.87609 3.97158 7.8744 12.2719 6.05548 9.3502 numMergedOcc 0
35 mol 225 unq 1 iso 0 dist 8.87609 9.9875 4.98402 12.2719 6.05548 6.46405 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 8.38865 4.1511 5.28771 5.23634 7.3164 6.09335 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 5.4694 4.69247 5.28771 6.91318 7.3164 6.09335 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 8.03442 5.0317 9.43618 11.595 14.9695 8.85955 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 8.03442 5.0317 9.43618 9.91384 11.2819 6.09335 numMergedOcc 0
40 mol 236 unq 0 iso 0 dist 8.50331 11.5307 9.14068 15.106 8.32937 8.93212 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 8.63015 8.5378 4.66186 numMergedOcc 0
42 mol 251 unq 0 iso 0 dist 8.01198 4.86046 6.42747 12.7504 9.29305 9.02417 numMergedOcc 0
43 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 5.90924 7.36132 9.78237 numMergedOcc 0
44 mol 264 unq 1 iso 0 dist 7.52281 6.87635 8.67231 5.90924 7.36132 9.95798 numMergedOcc 0
45 mol 264 unq 2 iso 0 dist 6.42588 6.56539 6.02757 9.58916 7.36132 9.78237 numMergedOcc 0
46 mol 264 unq 3 iso 0 dist 6.42588 4.76241 8.67231 9.58916 7.36132 9.95798 numMergedOcc 0
47 mol 264 unq 4 iso 0 dist 6.04162 11.4167 7.14086 9.19754 5.82131 9.78237 numMergedOcc 0
48 mol 264 unq 5 iso 0 dist 6.04162 11.4167 7.14086 15.803 10.0297 9.70101 numMergedOcc 0
49 mol 264 unq 6 iso 0 dist 6.04162 11.4167 7.14086 13.8802 9.58444 9.95798 numMergedOcc 0
50 mol 264 unq 7 iso 0 dist 6.14323 13.2035 7.14086 8.29262 5.82131 9.78237 numMergedOcc 0
51 mol 264 unq 8 iso 0 dist 6.14323 13.2035 7.14086 14.4964 10.0297 9.70101 numMergedOcc 0
52 mol 264 unq 9 iso 0 dist 6.14323 13.2035 7.14086 13.4196 9.58444 9.95798 numMergedOcc 0
