0 mol 44 unq 0 iso 0 dist 9.16551 8.1394 7.85573 12.4904 7.37043 8.6578 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.00513 8.50057 9.67403 12.9613 14.3446 5.01022 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 8.64665 4.57882 9.67403 8.98797 14.3446 5.01022 numMergedOcc 0
3 mol 61 unq 2 iso 0 dist 9.42869 5.35367 7.02173 8.98797 4.91795 5.47405 numMergedOcc 0
4 mol 61 unq 3 iso 0 dist 9.42869 5.35367 7.02173 13.9626 7.64582 9.08027 numMergedOcc 0
5 mol 61 unq 4 iso 0 dist 9.42869 4.57882 7.28917 8.98797 4.91795 5.01022 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 9.3844 4.92836 9.33209 7.76666 9.29757 8.34374 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.02644 5.17083 5.57712 8.53164 4.98638 8.95491 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 6.79564 10.1416 9.81273 9.67785 5.71094 6.51666 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 6.79564 11.405 6.67575 9.67785 5.71094 8.21549 numMergedOcc 0
10 mol 108 unq 0 iso 0 dist 8.69068 6.97518 5.52402 6.72426 10.5684 7.96745 numMergedOcc 0
11 mol 108 unq 1 iso 0 dist 8.69068 6.97518 5.52402 15.4439 13.7981 9.71442 numMergedOcc 0
12 mol 108 unq 2 iso 0 dist 8.69068 6.97518 5.52402 11.0901 5.69391 8.99379 numMergedOcc 0
13 mol 108 unq 3 iso 0 dist 8.89997 5.53449 6.79804 9.98276 14.1381 7.96745 numMergedOcc 0
14 mol 108 unq 4 iso 0 dist 8.89997 5.53449 6.79804 8.0671 9.46026 9.71442 numMergedOcc 0
15 mol 108 unq 5 iso 0 dist 8.89997 5.53449 6.79804 14.2441 11.3762 8.99379 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 9.31927 4.23705 9.12964 7.03509 8.92383 9.975 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.65932 10.5926 6.95914 12.4814 8.37562 5.96907 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.65932 10.5926 6.95914 15.8641 12.6264 8.55099 numMergedOcc 0
19 mol 183 unq 0 iso 0 dist 8.1126 5.7856 9.86506 12.3647 9.58361 9.99089 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 8.61953 4.31461 6.50727 12.9676 6.35266 9.12641 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 7.91999 4.31461 7.84826 12.9676 10.3477 9.12641 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.98579 7.68028 4.75866 8.31175 4.49604 7.92537 numMergedOcc 0
