0 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 6.76292 6.56335 10.454 10.8592 10.8455 6.31718 15.6697 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 14.9301 10.3915 8.4674 10.1882 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 10.1953 5.03957 4.54938 6.92532 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 12.4687 12.3067 7.36323 9.24958 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 11.0381 12.3067 5.54419 4.93188 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 10.392 5.4148 9.96396 7.04044 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 18.5427 13.3558 8.70481 10.3244 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 10.4766 5.4148 6.19304 8.73253 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 15.4777 14.9342 8.70481 10.3244 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 10.997 5.4148 6.19304 8.73253 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 17.1639 14.9342 8.70481 10.3244 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 4.64486 5.74857 6.08806 12.7842 8.02349 9.33865 10.9766 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 4.64486 5.74857 7.21418 7.44784 11.5723 7.30858 10.0289 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 9.56867 7.64822 7.88312 4.64486 5.74857 7.21418 12.7842 8.02349 5.83991 10.9766 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.97208 12.5576 6.54501 11.5403 5.53031 5.35679 11.8406 5.79898 9.89303 10.0513 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 7.97208 9.52819 6.49416 11.5403 5.53031 8.46636 10.738 8.80819 8.94367 13.9396 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 7.97208 9.52819 6.49416 11.5403 5.53031 8.46636 5.67862 5.00817 6.37586 10.1537 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 4.97043 7.20392 5.93488 11.44 10.1912 5.98885 6.51749 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.45401 6.8549 7.54065 8.19136 7.20574 8.90184 15.0174 13.8792 9.70748 18.0414 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 7.45401 6.8549 7.54065 8.19136 7.20574 8.90184 11.5381 5.74635 8.87694 6.85302 numMergedOcc 0
20 mol 186 unq 2 iso 0 dist 6.86297 8.03427 8.87694 8.88762 6.85302 8.90184 10.7452 5.74635 7.54065 7.20574 numMergedOcc 0
21 mol 186 unq 3 iso 0 dist 6.86297 8.03427 8.87694 8.88762 6.85302 8.90184 13.9315 14.9058 9.70748 18.0414 numMergedOcc 0
22 mol 186 unq 4 iso 0 dist 6.86297 8.03427 8.87694 7.55335 9.98215 12.8303 10.7452 5.74635 7.54065 13.6209 numMergedOcc 0
23 mol 186 unq 5 iso 0 dist 6.86297 8.03427 8.87694 7.55335 9.98215 12.8303 13.9315 14.9058 9.70748 20.9635 numMergedOcc 0
24 mol 206 unq 0 iso 0 dist 7.10166 13.609 9.774 9.72247 8.70977 9.9412 11.1422 5.63422 7.7366 12.3357 numMergedOcc 0
25 mol 206 unq 1 iso 0 dist 9.66896 12.0196 9.774 12.2373 8.70977 9.9412 10.4092 5.63422 7.7366 12.3357 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 6.36941 8.3919 9.81562 7.05684 8.50331 7.22918 9.97357 7.28249 8.03456 11.9847 numMergedOcc 0
27 mol 236 unq 1 iso 0 dist 6.36941 4.88785 7.68742 7.05684 8.50331 9.05842 9.97357 7.28249 6.84306 11.9847 numMergedOcc 0
28 mol 236 unq 2 iso 0 dist 6.36941 10.2557 6.27581 7.05684 8.50331 7.00028 9.97357 7.28249 9.99038 11.9847 numMergedOcc 0
29 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 4.01898 6.17052 5.99459 11.4848 5.55137 7.21521 9.77666 numMergedOcc 0
30 mol 248 unq 1 iso 0 dist 6.44967 9.48478 7.69895 4.01898 6.17052 5.99459 15.9246 10.8081 8.2965 13.0539 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 11.517 7.99477 7.42673 13.7159 7.26417 6.60405 6.70815 numMergedOcc 0
32 mol 258 unq 1 iso 0 dist 7.9357 8.73372 6.42289 5.04382 7.86627 6.44209 13.7159 7.26417 6.60405 11.184 numMergedOcc 0
33 mol 258 unq 2 iso 0 dist 8.81059 9.78068 6.42289 15.4617 7.99477 7.42673 14.0712 7.26417 6.60405 6.70815 numMergedOcc 0
34 mol 258 unq 3 iso 0 dist 8.81059 9.78068 6.42289 11.0527 7.86627 6.44209 14.0712 7.26417 6.60405 11.184 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 11.2562 8.60026 6.04016 11.3146 7.00201 9.14619 5.26434 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 13.4429 8.60026 6.04016 13.063 7.00201 9.14619 5.26434 numMergedOcc 0
37 mol 272 unq 0 iso 0 dist 6.62923 5.27123 8.46116 14.4134 9.19033 13.5034 4.78812 5.40809 8.33638 11.9971 numMergedOcc 0
