0 mol 112 unq 0 iso 0 dist 7.65229 11.4776 5.81552 5.43987 9.60462 10.626 9.7695 7.45389 5.27363 7.05226 numMergedOcc 0
1 mol 112 unq 0 iso 1 dist 7.65229 11.4776 5.81552 9.7695 7.45389 5.27363 5.43987 9.60462 10.626 7.05226 numMergedOcc 0
2 mol 134 unq 0 iso 0 dist 6.99089 12.6734 7.97208 10.1742 6.54501 12.5576 12.6542 6.49416 9.52819 5.00526 numMergedOcc 0
3 mol 134 unq 0 iso 1 dist 6.99089 12.6734 7.97208 12.6542 6.49416 9.52819 10.1742 6.54501 12.5576 5.00526 numMergedOcc 0
4 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 8.09861 5.6234 5.73338 10.1323 9.92231 12.753 7.42466 numMergedOcc 0
5 mol 175 unq 0 iso 1 dist 7.04318 8.21784 6.73365 10.1323 9.92231 12.753 8.09861 5.6234 5.73338 7.42466 numMergedOcc 0
6 mol 204 unq 0 iso 0 dist 7.92766 3.96829 7.7292 14.0488 7.10633 13.4646 7.58285 8.51516 9.54287 10.8344 numMergedOcc 0
7 mol 204 unq 0 iso 1 dist 7.92766 3.96829 7.7292 7.58285 8.51516 9.54287 14.0488 7.10633 13.4646 10.8344 numMergedOcc 0
8 mol 206 unq 0 iso 0 dist 8.59262 5.2696 7.10166 4.38308 8.02137 5.15743 13.472 9.774 13.609 10.4 numMergedOcc 0
9 mol 206 unq 0 iso 1 dist 8.59262 5.2696 7.10166 13.472 9.774 13.609 4.38308 8.02137 5.15743 10.4 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 8.59262 15.5823 9.66896 4.38308 8.02137 15.7773 13.472 9.774 12.0196 10.4 numMergedOcc 0
11 mol 206 unq 1 iso 1 dist 8.59262 15.5823 9.66896 13.472 9.774 12.0196 4.38308 8.02137 15.7773 10.4 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 6.83122 16.1937 9.40003 9.3424 9.65138 16.5528 12.2622 7.14453 9.11345 9.10746 numMergedOcc 0
13 mol 214 unq 0 iso 1 dist 6.83122 16.1937 9.40003 12.2622 7.14453 9.11345 9.3424 9.65138 16.5528 9.10746 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 6.83122 16.1937 9.40003 9.3424 9.65138 16.5528 6.75833 8.85478 16.922 4.40923 numMergedOcc 0
15 mol 214 unq 1 iso 1 dist 6.83122 16.1937 9.40003 6.75833 8.85478 16.922 9.3424 9.65138 16.5528 4.40923 numMergedOcc 0
16 mol 214 unq 1 iso 0 dist 6.83122 16.1937 9.40003 12.2622 7.14453 9.11345 6.75833 8.85478 16.922 11.3796 numMergedOcc 0
17 mol 214 unq 1 iso 1 dist 6.83122 16.1937 9.40003 6.75833 8.85478 16.922 12.2622 7.14453 9.11345 11.3796 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 6.83122 4.16332 8.68385 9.3424 9.65138 10.2443 12.2622 7.14453 12.5421 9.10746 numMergedOcc 0
19 mol 214 unq 2 iso 1 dist 6.83122 4.16332 8.68385 12.2622 7.14453 12.5421 9.3424 9.65138 10.2443 9.10746 numMergedOcc 0
20 mol 214 unq 3 iso 0 dist 6.83122 4.16332 8.68385 9.3424 9.65138 10.2443 6.75833 8.85478 9.18071 4.40923 numMergedOcc 0
21 mol 214 unq 3 iso 1 dist 6.83122 4.16332 8.68385 6.75833 8.85478 9.18071 9.3424 9.65138 10.2443 4.40923 numMergedOcc 0
22 mol 214 unq 3 iso 0 dist 6.83122 4.16332 8.68385 12.2622 7.14453 12.5421 6.75833 8.85478 9.18071 11.3796 numMergedOcc 0
23 mol 214 unq 3 iso 1 dist 6.83122 4.16332 8.68385 6.75833 8.85478 9.18071 12.2622 7.14453 12.5421 11.3796 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.69537 9.41461 7.04127 5.92906 9.40098 11.7724 5.41675 6.61986 4.55824 9.54151 numMergedOcc 0
25 mol 224 unq 0 iso 1 dist 7.69537 9.41461 7.04127 5.41675 6.61986 4.55824 5.92906 9.40098 11.7724 9.54151 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 8.17766 6.17101 9.98232 11.3675 7.37839 10.9863 12.5238 8.40182 10.2117 4.06055 numMergedOcc 0
27 mol 231 unq 0 iso 1 dist 8.17766 6.17101 9.98232 12.5238 8.40182 10.2117 11.3675 7.37839 10.9863 4.06055 numMergedOcc 0
28 mol 231 unq 1 iso 0 dist 9.84965 14.1831 9.98232 14.0116 7.37839 10.9863 16.7305 8.40182 10.2117 4.06055 numMergedOcc 0
29 mol 231 unq 1 iso 1 dist 9.84965 14.1831 9.98232 16.7305 8.40182 10.2117 14.0116 7.37839 10.9863 4.06055 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 6.49599 6.96133 6.96379 14.1932 8.13497 10.908 13.8605 7.88519 12.7595 4.69778 numMergedOcc 0
31 mol 259 unq 0 iso 1 dist 6.49599 6.96133 6.96379 13.8605 7.88519 12.7595 14.1932 8.13497 10.908 4.69778 numMergedOcc 0
32 mol 272 unq 0 iso 0 dist 7.66615 10.4121 6.62923 11.4664 9.97651 11.9042 10.3544 8.46116 5.27123 8.12676 numMergedOcc 0
33 mol 272 unq 0 iso 1 dist 7.66615 10.4121 6.62923 10.3544 8.46116 5.27123 11.4664 9.97651 11.9042 8.12676 numMergedOcc 0
