0 mol 19 unq 0 iso 0 dist 6.41575 5.14627 5.82366 10.1278 5.31883 6.38574 5.80928 6.41423 4.69858 7.7312 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.24757 7.41074 7.10439 11.3218 7.98468 7.78587 16.5689 13.6162 9.77992 9.10566 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 9.24757 7.41074 7.10439 11.3218 7.98468 7.78587 15.7123 13.8696 13.4082 6.23522 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 9.24757 7.41074 7.10439 11.3218 7.98468 7.78587 17.9535 15.2532 17.0996 9.62027 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.82915 15.8792 6.05495 13.3547 5.22259 5.61151 18.068 11.5566 10.7963 7.69926 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.82915 15.8792 6.05495 15.6221 7.66499 6.54289 18.068 11.5566 10.7963 5.85237 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.82915 15.8792 6.05495 15.6221 7.66499 6.54289 19.33 10.8523 7.79293 9.11768 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.2479 4.77278 7.13252 11.8368 13.4378 7.61421 6.01247 6.22122 5.88819 9.70481 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 7.99195 9.14057 7.13252 15.9184 13.4378 7.61421 12.6324 6.22122 5.88819 9.70481 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 6.95126 6.43692 7.95766 12.2745 6.82702 9.11149 9.89669 9.55668 4.65302 8.08965 numMergedOcc 0
10 mol 265 unq 0 iso 0 dist 6.71375 4.65134 5.40318 9.78483 6.31696 5.94614 9.87519 9.58094 5.51535 5.7944 numMergedOcc 0
11 mol 287 unq 0 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 10.9208 9.65934 7.23534 5.30118 numMergedOcc 0
12 mol 287 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 15.2151 14.0537 11.7115 8.98698 numMergedOcc 0
13 mol 287 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 10.9208 8.91712 4.62998 9.18744 numMergedOcc 0
14 mol 287 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 4.8356 14.0537 11.7115 8.98698 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 10.9208 9.65934 7.23534 5.30118 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 15.2151 14.0537 11.7115 8.98698 numMergedOcc 0
17 mol 288 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 10.9208 8.91712 4.62998 9.18744 numMergedOcc 0
18 mol 288 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 4.8356 14.0537 11.7115 8.98698 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 10.9208 9.65934 7.23534 5.30118 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 8.91712 4.62998 5.59555 10.1296 5.39801 5.50067 15.2151 14.0537 11.7115 8.98698 numMergedOcc 0
21 mol 289 unq 2 iso 0 dist 9.65934 7.23534 5.59555 13.0643 3.96271 7.77225 10.9208 8.91712 4.62998 9.18744 numMergedOcc 0
22 mol 289 unq 3 iso 0 dist 9.65934 7.23534 5.59555 5.30118 5.39801 5.50067 4.8356 14.0537 11.7115 8.98698 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.88863 5.98906 5.7131 9.82511 4.30125 3.93401 17.5233 14.0184 12.1551 9.96374 numMergedOcc 0
