0 mol 10 unq 0 iso 0 dist 6.74091 8.30413 13.9866 7.75994 9.96463 12.5537 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 9.3844 7.76666 9.29757 4.92836 9.33209 8.34374 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 6.02644 8.53164 4.98638 5.17083 5.57712 8.95491 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 8.52947 9.92785 12.3147 5.38184 7.62629 14.4125 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 8.84466 8.21739 8.02579 13.2527 7.62629 15.0976 numMergedOcc 0
5 mol 93 unq 2 iso 0 dist 8.84466 4.78377 12.3147 13.2527 7.62629 14.4125 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 6.79564 9.67785 5.71094 10.1416 9.81273 6.51666 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 6.79564 9.67785 5.71094 11.405 6.67575 8.21549 numMergedOcc 0
8 mol 108 unq 0 iso 0 dist 8.69068 6.72426 10.5684 6.97518 5.52402 7.96745 numMergedOcc 0
9 mol 108 unq 1 iso 0 dist 8.69068 6.72426 10.5684 4.62224 7.57593 10.5112 numMergedOcc 0
10 mol 108 unq 2 iso 0 dist 8.89997 9.98276 14.1381 5.53449 6.79804 7.96745 numMergedOcc 0
11 mol 108 unq 3 iso 0 dist 8.89997 8.0671 9.46026 5.53449 6.79804 9.71442 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.31927 7.03509 8.92383 4.23705 9.12964 9.975 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 8.48985 9.11203 5.46092 9.35084 7.83509 11.4533 numMergedOcc 0
14 mol 124 unq 1 iso 0 dist 8.48985 5.49109 5.02355 9.35084 7.83509 10.2636 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 6.65932 8.92412 11.1294 10.5926 6.95914 11.4006 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 5.03663 7.83509 6.96543 6.64765 5.82034 11.4269 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 8.93916 7.01483 6.96543 12.1565 5.82034 11.4269 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 8.53483 6.79048 9.81254 5.85166 5.83335 10.2455 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 8.53483 6.79048 9.81254 18.0876 9.92635 17.052 numMergedOcc 0
20 mol 258 unq 0 iso 0 dist 9.98868 8.82933 4.88527 11.1542 8.51287 12.4515 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.98579 8.31175 4.49604 7.68028 4.75866 7.92537 numMergedOcc 0
