0 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 10.1953 5.03957 4.54938 4.93362 6.36455 5.18512 6.92532 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.4452 10.0952 8.86116 13.674 10.7114 6.58998 6.72502 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 12.4687 12.3067 7.36323 6.80952 4.93188 4.33963 9.24958 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 11.0381 12.3067 5.54419 9.6739 9.24958 4.33963 4.93188 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 10.392 5.4148 9.96396 14.8714 8.73253 8.26458 7.04044 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 24.1606 18.0011 14.8866 8.85586 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 6.30194 10.5627 6.19304 18.5427 13.3558 8.70481 17.7332 12.0613 8.05119 7.11 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 10.4766 5.4148 6.19304 5.67493 7.04044 8.26458 8.73253 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 14.1835 16.8706 14.8866 8.85586 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 5.79954 12.8388 9.96396 15.4777 14.9342 8.70481 11.3882 12.4407 8.05119 7.11 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 7.01889 15.0744 9.96396 10.997 5.4148 6.19304 11.2215 7.04044 8.26458 8.73253 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 17.8191 16.8706 14.8866 8.85586 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 7.01889 15.0744 9.96396 17.1639 14.9342 8.70481 16.4934 12.4407 8.05119 7.11 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 9.8682 6.9948 7.97049 7.24399 11.2808 6.37974 7.1589 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.22376 3.85308 7.66905 11.7729 10.7229 7.95579 7.24399 11.2808 5.08358 8.00777 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 9.22376 3.85308 7.66905 9.8682 6.9948 6.19965 7.24399 11.2808 5.08358 7.1589 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.46734 6.43998 7.34473 10.1051 7 8.58044 4.94386 10.3189 5.54205 8.89913 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 9.56867 11.5723 7.88312 4.64486 10.0289 7.21418 5.74857 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 5.67862 9.52819 6.37586 10.738 5.49782 8.94367 15.0851 10.873 9.4027 8.20836 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 5.67862 9.52819 6.37586 7.97208 5.00817 6.49416 11.5403 10.1537 8.46636 5.53031 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 5.67862 12.4156 9.71307 10.738 5.49782 9.86662 15.0851 10.873 5.12325 8.20836 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 7.97208 9.52819 6.49416 10.738 8.80819 8.94367 15.0851 13.846 9.4027 8.20836 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 11.44 10.1912 5.98885 4.97043 7.20392 5.93488 6.51749 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 11.5381 5.74635 8.87694 8.19136 7.20574 8.90184 6.85302 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 7.45401 6.8549 7.54065 11.5381 5.74635 8.87694 14.775 13.6209 12.8303 9.98215 numMergedOcc 0
25 mol 186 unq 2 iso 0 dist 6.86297 8.03427 8.87694 10.7452 5.74635 7.54065 8.88762 6.85302 8.90184 7.20574 numMergedOcc 0
26 mol 206 unq 0 iso 0 dist 8.73396 6.35321 7.7366 11.7176 5.63422 9.774 13.6696 12.3357 9.9412 8.70977 numMergedOcc 0
27 mol 236 unq 0 iso 0 dist 9.97357 8.3919 8.03456 6.36941 7.28249 9.81562 7.05684 11.9847 7.22918 8.50331 numMergedOcc 0
28 mol 236 unq 1 iso 0 dist 9.97357 4.88785 6.84306 6.36941 7.28249 7.68742 7.05684 11.9847 9.05842 8.50331 numMergedOcc 0
29 mol 236 unq 2 iso 0 dist 9.97357 10.2557 9.99038 6.36941 7.28249 6.27581 7.05684 11.9847 7.00028 8.50331 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 11.4848 5.55137 7.21521 4.01898 6.17052 5.99459 9.77666 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 13.7159 7.26417 6.60405 11.517 7.99477 7.42673 6.70815 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 14.0712 7.26417 6.60405 15.4617 7.99477 7.42673 6.70815 numMergedOcc 0
33 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 11.1532 6.96053 7.46176 12.6188 10.5803 5.60748 8.55558 numMergedOcc 0
34 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 11.3146 7.00201 9.14619 11.2562 8.60026 6.04016 5.26434 numMergedOcc 0
35 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 13.063 7.00201 9.14619 13.4429 8.60026 6.04016 5.26434 numMergedOcc 0
36 mol 272 unq 0 iso 0 dist 4.78812 5.27123 8.33638 6.62923 5.40809 8.46116 14.4134 11.9971 13.5034 9.19033 numMergedOcc 0
