0 mol 14 unq 0 iso 0 dist 6.3453 8.64855 11.0036 5.64699 8.19687 14.2327 15.5387 19.9744 9.58196 20.4422 numMergedOcc 0
1 mol 14 unq 1 iso 0 dist 6.3453 8.64855 11.0036 7.37113 5.71901 14.5684 15.5387 19.9744 9.58196 22.3995 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.62634 6.68517 6.05535 4.94804 9.31149 10.2723 5.65481 9.04834 4.7319 9.14256 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 7.62418 9.59947 6.65721 10.7369 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 6.53977 12.3891 6.72123 11.5608 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 7.62418 9.59947 6.65721 5.4671 numMergedOcc 0
6 mol 61 unq 3 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 6.53977 12.3891 6.72123 10.1513 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 8.71324 9.56181 9.73304 13.6999 9.3473 16.6744 7.70414 9.10915 9.67592 9.82646 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 9.5663 9.56181 5.59762 12.6498 6.08228 11.6303 7.70414 5.54343 9.67592 5.33496 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 15.1474 10.9081 7.4729 16.6292 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 12.3568 9.56884 12.9107 8.66262 10.3582 6.82344 13.3752 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 15.1474 10.9081 7.4729 10.7572 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 8.66262 10.3582 6.82344 5.50764 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 15.1474 10.9081 7.4729 17.1668 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 8.66262 10.3582 6.82344 11.6339 numMergedOcc 0
15 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 13.457 8.63522 12.8661 8.90571 9.0361 7.36792 10.2218 numMergedOcc 0
16 mol 102 unq 1 iso 0 dist 6.7095 8.84131 7.49575 10.8385 5.43401 9.10229 8.90571 9.0361 7.36792 8.17186 numMergedOcc 0
17 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 5.67441 5.31281 8.42445 6.49725 9.24515 7.5732 7.18757 numMergedOcc 0
18 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 10.0602 8.9922 10.2889 6.49725 9.24515 7.5732 7.13921 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 14.4072 18.3231 6.69288 17.6107 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 13.0519 19.4581 6.43573 17.049 numMergedOcc 0
21 mol 178 unq 2 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 10.5681 17.5964 7.17202 15.9288 numMergedOcc 0
22 mol 178 unq 3 iso 0 dist 9.3355 8.04723 13.6129 5.50567 6.25455 12.1615 9.1499 17.9703 8.81551 14.5626 numMergedOcc 0
23 mol 178 unq 4 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 14.4072 18.3231 6.69288 12.2822 numMergedOcc 0
24 mol 178 unq 5 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 13.0519 19.4581 6.43573 12.4338 numMergedOcc 0
25 mol 178 unq 6 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 10.5681 17.5964 7.17202 13.9722 numMergedOcc 0
26 mol 178 unq 7 iso 0 dist 9.3355 8.04723 13.6129 6.1397 8.14441 8.0974 9.1499 17.9703 8.81551 13.5599 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.614 8.27794 11.0057 9.24302 8.78709 15.0674 4.89429 13.565 9.09537 11.6133 numMergedOcc 0
28 mol 236 unq 0 iso 0 dist 5.46484 8.95071 6.49831 8.95567 7.6402 13.61 18.4732 16.3801 9.99038 23.3543 numMergedOcc 0
29 mol 236 unq 1 iso 0 dist 5.46484 8.95071 6.49831 8.95567 7.6402 13.61 12.8358 12.2331 6.27581 18.5325 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 5.3674 6.40592 7.4631 4.86437 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 9.66298 9.80409 13.6041 17.0555 9.70222 17.2791 4.63237 13.063 9.14619 18.4508 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 9.66298 9.80409 13.6041 17.0555 9.70222 17.2791 6.39263 7.6414 8.45658 11.544 numMergedOcc 0
33 mol 278 unq 0 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 12.8387 15.1476 8.44326 10.5903 numMergedOcc 0
