0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 8.79013 5.03514 8.10227 5.70264 8.15864 9.75368 8.18139 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.83248 9.15042 10.6711 9.4658 7.20713 9.49478 10.3387 8.84944 14.9221 6.57633 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 5.72494 5.94478 6.07628 9.43076 4.78648 6.80028 5.40051 7.66418 10.9047 12.2218 numMergedOcc 0
3 mol 103 unq 1 iso 0 dist 8.70106 5.94478 10.2138 9.43076 10.6434 6.80028 5.40051 8.078 10.9047 12.2218 numMergedOcc 0
4 mol 103 unq 2 iso 0 dist 8.70106 5.94478 10.2138 9.43076 10.6434 6.80028 14.0531 6.56481 16.4062 17.0972 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 7.34585 9.61656 6.9791 11.7558 8.9864 11.3383 17.3913 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 7.11486 6.57177 6.16616 14.3839 9.52061 8.59695 13.9579 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 5.86949 8.62898 5.34721 9.23896 8.49619 4.94499 12.2411 9.18753 13.9381 17.6658 numMergedOcc 0
8 mol 148 unq 1 iso 0 dist 5.86949 8.62898 5.34721 6.02506 8.01366 9.29878 12.2411 9.18753 13.9381 15.4666 numMergedOcc 0
9 mol 148 unq 2 iso 0 dist 8.60157 9.7168 5.77745 9.8506 16.0449 15.239 6.76353 8.6953 12.9544 15.4666 numMergedOcc 0
10 mol 148 unq 3 iso 0 dist 8.60157 7.38138 11.2162 9.8506 16.0449 8.68046 6.76353 8.6953 13.8436 15.4666 numMergedOcc 0
11 mol 148 unq 4 iso 0 dist 6.72591 9.7168 12.9245 9.8506 8.01366 15.239 6.76353 9.18753 12.9544 15.4666 numMergedOcc 0
12 mol 148 unq 5 iso 0 dist 6.72591 7.38138 10.5987 9.8506 8.01366 8.68046 6.76353 9.18753 13.8436 15.4666 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 5.84971 8.6102 5.38822 9.46439 8.69407 4.99218 12.1573 9.15244 13.968 17.8278 numMergedOcc 0
14 mol 150 unq 1 iso 0 dist 5.84971 8.6102 5.38822 6.07854 8.04136 9.35505 12.1573 9.15244 13.968 15.4042 numMergedOcc 0
15 mol 150 unq 2 iso 0 dist 8.59359 9.61132 5.71213 9.91991 16.1293 15.2388 6.65519 8.65967 12.8058 15.4042 numMergedOcc 0
16 mol 150 unq 3 iso 0 dist 8.59359 7.34423 11.2566 9.91991 16.1293 8.55576 6.65519 8.65967 13.7265 15.4042 numMergedOcc 0
17 mol 150 unq 4 iso 0 dist 6.80192 9.61132 12.8684 9.91991 8.04136 15.2388 6.65519 9.15244 12.8058 15.4042 numMergedOcc 0
18 mol 150 unq 5 iso 0 dist 6.80192 7.34423 10.4881 9.91991 8.04136 8.55576 6.65519 9.15244 13.7265 15.4042 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.45502 8.1504 5.16728 6.22696 7.41724 4.63654 13.5755 9.38856 14.2165 16.7053 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 8.45614 12.8965 4.88992 4.60682 8.27913 10.8493 12.7488 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 8.45614 13.9118 4.88992 4.60682 8.85111 10.8493 12.7488 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 8.37455 9.62353 6.0599 17.1351 9.87574 21.083 18.9724 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 9.66533 9.01896 11.3575 8.70011 10.0389 8.52282 13.587 4.36421 14.4648 14.1246 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 14.4507 8.54422 17.5095 14.031 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 10.4459 7.67473 13.7569 12.3498 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 9.49732 9.34738 11.569 7.8428 6.51653 8.95813 14.4507 8.54422 19.5056 14.031 numMergedOcc 0
27 mol 259 unq 3 iso 0 dist 9.49732 9.34738 11.569 7.8428 6.51653 8.95813 10.4459 7.67473 16.595 12.3498 numMergedOcc 0
28 mol 259 unq 4 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 14.4507 8.54422 13.119 14.031 numMergedOcc 0
29 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 10.4459 7.67473 10.895 12.3498 numMergedOcc 0
