0 mol 60 unq 0 iso 0 dist 5.83937 7.3676 7.15352 6.62193 6.65595 9.28444 12.0661 7.57295 10.7546 7.80499 numMergedOcc 0
1 mol 60 unq 1 iso 0 dist 5.83937 7.3676 7.15352 10.9885 9.25011 11.0491 12.0661 7.57295 10.7546 5.6397 numMergedOcc 0
2 mol 60 unq 2 iso 0 dist 5.83937 7.3676 7.15352 9.96073 6.43294 4.80738 12.0661 7.57295 10.7546 8.62476 numMergedOcc 0
3 mol 60 unq 3 iso 0 dist 5.83937 7.3676 7.15352 11.2445 8.52121 6.28337 12.0661 7.57295 10.7546 6.55502 numMergedOcc 0
4 mol 60 unq 4 iso 0 dist 8.82095 13.8836 7.15352 5.63638 6.65595 9.28444 7.32774 7.57295 10.7546 7.80499 numMergedOcc 0
5 mol 60 unq 5 iso 0 dist 8.82095 13.8836 7.15352 5.95814 9.25011 11.0491 7.32774 7.57295 10.7546 5.6397 numMergedOcc 0
6 mol 60 unq 6 iso 0 dist 8.82095 13.8836 7.15352 13.6099 6.43294 4.80738 7.32774 7.57295 10.7546 8.62476 numMergedOcc 0
7 mol 60 unq 7 iso 0 dist 8.82095 13.8836 7.15352 12.0142 8.52121 6.28337 7.32774 7.57295 10.7546 6.55502 numMergedOcc 0
8 mol 60 unq 8 iso 0 dist 6.27749 6.02523 7.7654 5.63638 8.90863 9.47656 4.44758 9.95132 5.40533 8.27828 numMergedOcc 0
9 mol 60 unq 9 iso 0 dist 6.27749 6.02523 7.7654 5.63638 8.90863 9.47656 7.32774 7.48086 4.70443 7.80499 numMergedOcc 0
10 mol 122 unq 0 iso 0 dist 8.33083 13.1171 8.75778 12.4383 8.37808 9.00329 12.2162 6.00603 4.06619 6.15636 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 4.79473 5.51197 6.31483 12.1739 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 5.04019 6.69691 9.82512 8.26896 numMergedOcc 0
13 mol 129 unq 2 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 10.1802 8.86944 14.6258 5.63254 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 9.80877 9.11204 11.4463 8.44333 numMergedOcc 0
15 mol 178 unq 1 iso 0 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 9.80877 9.11204 11.4463 6.8202 numMergedOcc 0
16 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 9.80877 9.11204 11.4463 14.9499 numMergedOcc 0
17 mol 178 unq 3 iso 0 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 9.80877 9.11204 11.4463 14.2467 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 12.4616 9.61492 6.98812 14.6356 6.49765 6.16492 10.6504 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 8.43584 13.7406 6.94789 10.6123 7.45763 12.019 14.6356 6.49765 6.16492 8.67921 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 8.43584 8.05429 6.23932 12.4616 9.61492 13.4557 14.6356 6.49765 9.99561 10.6504 numMergedOcc 0
21 mol 205 unq 3 iso 0 dist 8.43584 8.05429 6.23932 10.6123 7.45763 4.37383 14.6356 6.49765 9.99561 8.67921 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 8.49704 17.1631 9.92165 12.4611 9.65138 10.1227 4.112 7.46481 14.5969 11.4955 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 8.49704 17.1631 9.92165 11.832 7.14453 6.83063 4.112 7.46481 14.5969 8.459 numMergedOcc 0
24 mol 214 unq 2 iso 0 dist 8.49704 17.1631 9.92165 10.644 8.85478 12.7439 4.112 7.46481 14.5969 11.1534 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 8.7347 13.6797 6.77368 8.81265 6.00706 8.47937 15.1289 6.74196 4.54951 8.84507 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 8.7347 13.6797 6.77368 8.81265 6.00706 8.47937 13.6078 8.36842 10.5815 6.02502 numMergedOcc 0
27 mol 222 unq 2 iso 0 dist 8.7347 13.6797 6.77368 8.81265 6.00706 8.47937 13.6261 9.75472 10.7456 5.18677 numMergedOcc 0
28 mol 222 unq 3 iso 0 dist 8.7347 13.6797 6.77368 4.28891 7.54212 10.4837 15.1289 6.74196 4.54951 12.8595 numMergedOcc 0
29 mol 222 unq 4 iso 0 dist 8.7347 13.6797 6.77368 4.28891 7.54212 10.4837 13.6078 8.36842 10.5815 12.5866 numMergedOcc 0
30 mol 222 unq 5 iso 0 dist 8.7347 13.6797 6.77368 4.28891 7.54212 10.4837 13.6261 9.75472 10.7456 11.9567 numMergedOcc 0
31 mol 222 unq 6 iso 0 dist 8.7347 9.50337 7.73634 8.81265 6.00706 4.81992 15.1289 6.74196 11.1253 8.84507 numMergedOcc 0
32 mol 222 unq 7 iso 0 dist 8.7347 9.50337 7.73634 8.81265 6.00706 4.81992 13.6078 8.36842 5.10026 6.02502 numMergedOcc 0
33 mol 222 unq 8 iso 0 dist 8.7347 9.50337 7.73634 8.81265 6.00706 4.81992 13.6261 9.75472 5.90399 5.18677 numMergedOcc 0
34 mol 222 unq 9 iso 0 dist 8.7347 9.50337 7.73634 4.28891 7.54212 9.69122 15.1289 6.74196 11.1253 12.8595 numMergedOcc 0
35 mol 222 unq 10 iso 0 dist 8.7347 9.50337 7.73634 4.28891 7.54212 9.69122 13.6078 8.36842 5.10026 12.5866 numMergedOcc 0
36 mol 222 unq 11 iso 0 dist 8.7347 9.50337 7.73634 4.28891 7.54212 9.69122 13.6261 9.75472 5.90399 11.9567 numMergedOcc 0
37 mol 236 unq 0 iso 0 dist 9.10613 8.3795 9.44496 6.0258 8.04248 7.41812 4.8226 8.23087 10.7395 4.66414 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 8.51268 9.35539 9.31926 11.4555 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 13.3706 8.9682 13.1828 17.6038 numMergedOcc 0
40 mol 277 unq 2 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 12.1739 6.92711 10.6994 14.772 numMergedOcc 0
41 mol 280 unq 0 iso 0 dist 8.85762 11.4101 7.96485 4.95798 6.0664 8.26589 7.42656 6.86234 4.06908 4.90315 numMergedOcc 0
