0 mol 34 unq 0 iso 0 dist 6.87871 14.5506 7.78892 8.95909 9.24927 13.4993 15.1968 9.99939 9.30664 19.1023 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.74445 8.75469 8.03754 10.323 8.80331 14.0204 5.46849 9.02471 3.83842 12.6657 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 9.74445 8.75469 8.03754 14.445 6.20293 13.1056 5.46849 9.02471 3.83842 14.0654 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 8.33083 13.1171 8.75778 12.4383 8.37808 9.00329 12.2092 4.42563 6.39355 7.90729 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 6.14663 7.97548 6.61102 12.5321 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 6.29026 5.06265 8.00624 11.5533 8.54584 15.4586 5.32811 9.64164 9.0678 11.3755 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 9.10619 7.53439 8.41774 9.66339 8.56324 13.1435 17.3816 9.00072 15.2106 12.2243 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 9.10619 7.53439 8.41774 13.9994 6.70283 13.793 17.3816 9.00072 15.2106 4.73288 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 9.10619 7.53439 8.41774 14.2552 7.16148 11.2124 17.3816 9.00072 15.2106 4.70284 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 8.0974 11.7183 9.63185 12.2822 6.69288 14.4816 12.4011 4.72821 11.1931 4.69387 numMergedOcc 0
10 mol 178 unq 1 iso 0 dist 8.0974 11.7183 9.63185 12.4338 6.43573 10.2893 12.4011 4.72821 11.1931 3.70233 numMergedOcc 0
11 mol 178 unq 2 iso 0 dist 8.0974 11.7183 9.63185 13.9722 7.17202 9.7684 12.4011 4.72821 11.1931 7.39705 numMergedOcc 0
12 mol 178 unq 3 iso 0 dist 8.0974 11.7183 9.63185 13.5599 8.81551 5.37264 12.4011 4.72821 11.1931 9.77268 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.43584 13.7406 6.94789 12.4616 9.61492 6.98812 14.8213 9.31158 10.5366 10.8636 numMergedOcc 0
14 mol 205 unq 1 iso 0 dist 8.43584 13.7406 6.94789 10.6123 7.45763 12.019 14.8213 9.31158 10.5366 5.42503 numMergedOcc 0
15 mol 205 unq 2 iso 0 dist 8.43584 8.05429 6.23932 12.4616 9.61492 13.4557 14.8213 9.31158 9.27501 10.8636 numMergedOcc 0
16 mol 205 unq 3 iso 0 dist 8.43584 8.05429 6.23932 10.6123 7.45763 4.37383 14.8213 9.31158 9.27501 5.42503 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.67457 5.02037 6.13878 5.82028 6.18308 5.4508 8.81074 6.85824 6.59517 4.29623 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 5.81927 5.00751 7.69358 9.49027 6.97229 9.80642 4.87461 7.12221 6.09845 6.24714 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 5.81927 5.00751 7.69358 9.49027 6.97229 9.80642 9.93118 5.4557 11.3756 4.02333 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 11.5613 4.9764 9.21484 11.8607 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.90434 5.95045 4.81916 13.2927 9.7748 7.94155 13.0566 6.36559 10.3506 10.9137 numMergedOcc 0
