0 mol 10 unq 0 iso 0 dist 7.99404 6.50444 5.04413 7.76098 9.1686 11.6447 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 7.99404 6.50444 5.04413 8.20812 8.99402 9.77054 numMergedOcc 0
2 mol 10 unq 2 iso 0 dist 7.99404 6.50444 5.04413 9.87224 7.3489 7.74463 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 5.84744 9.37301 11.0282 8.23606 15.2915 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 8.71103 8.59739 6.2804 6.05149 7.41952 9.90428 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.67575 4.49975 7.93499 4.36597 7.57822 8.79764 numMergedOcc 0
6 mol 108 unq 0 iso 0 dist 5.52402 9.14068 4.91593 4.2179 9.32474 11.853 numMergedOcc 0
7 mol 108 unq 1 iso 0 dist 7.57593 9.14068 6.23415 4.2179 8.80334 11.853 numMergedOcc 0
8 mol 108 unq 2 iso 0 dist 6.79804 7.90433 4.91593 10.5919 9.32474 11.853 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 5.4772 9.67042 8.1634 6.22373 8.94995 15.0825 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 5.4772 7.95999 8.13018 6.22373 8.94995 9.66537 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 7.84607 9.01072 8.1634 7.99353 8.94995 15.0825 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 8.63018 8.09774 4.79473 5.0466 7.07421 8.85652 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.68599 9.76097 6.95933 5.57746 5.12189 5.9959 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.68599 9.76097 6.95933 5.8422 7.50911 12.698 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.49104 9.13697 4.56331 8.22726 5.33543 5.20195 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.32669 5.56446 7.13673 3.56357 8.56593 9.09014 numMergedOcc 0
17 mol 192 unq 0 iso 0 dist 7.252 7.93715 12.8252 13.2525 7.30965 18.7047 numMergedOcc 0
18 mol 219 unq 0 iso 0 dist 9.52151 9.74779 5.05436 7.00921 4.67452 8.3704 numMergedOcc 0
19 mol 219 unq 1 iso 0 dist 9.52151 9.74779 5.05436 10.3376 9.86916 12.6815 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 6.14732 7.90991 6.55395 7.27568 5.2851 11.0314 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.46728 8.56975 12.4194 4.13744 5.57184 9.67281 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 8.68803 7.96523 3.80345 6.54316 9.59937 7.98794 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 8.22083 7.7177 5.14773 7.82713 6.25315 10.3179 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 7.97113 4.95855 10.2743 6.92619 8.91916 8.40328 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 7.97113 7.72489 11.46 6.92619 8.91916 8.2518 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 5.22111 4.95855 7.06301 9.98638 9.45077 13.113 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 5.22111 4.95855 7.06301 6.92619 4.55368 8.40328 numMergedOcc 0
28 mol 259 unq 4 iso 0 dist 5.22111 7.72489 7.80863 9.98638 9.45077 13.7343 numMergedOcc 0
29 mol 259 unq 5 iso 0 dist 5.22111 7.72489 7.80863 6.92619 4.55368 8.2518 numMergedOcc 0
30 mol 264 unq 0 iso 0 dist 9.8799 9.13546 11.217 4.93509 7.61232 10.2252 numMergedOcc 0
31 mol 264 unq 1 iso 0 dist 9.8799 8.7365 9.42483 4.93509 7.61232 10.7237 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 4.75866 8.41945 11.481 12.8228 9.98985 18.2437 numMergedOcc 0
33 mol 283 unq 0 iso 0 dist 7.90132 8.4275 12.1132 5.37953 7.53773 13.3092 numMergedOcc 0
34 mol 283 unq 1 iso 0 dist 8.80418 7.81241 10.5903 6.27944 7.88405 13.1223 numMergedOcc 0
35 mol 283 unq 2 iso 0 dist 8.80418 9.52445 9.41544 6.27944 7.88405 13.5897 numMergedOcc 0
