0 mol 34 unq 0 iso 0 dist 7.57144 9.05396 9.33027 9.26855 4.79 8.2946 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 7.57144 9.98702 7.32707 9.26855 4.79 9.25346 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.28439 6.89518 6.24515 11.1408 4.85203 6.47855 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.94727 7.0262 7.21995 10.5363 5.79982 7.70625 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 6.94727 11.6776 9.62637 10.5363 5.79982 6.01423 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 9.46792 11.2556 9.0008 17.2238 9.07653 9.77887 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.76708 7.21296 6.72712 11.6587 5.06359 5.39745 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 9.4696 12.9025 8.1856 11.7534 7.12323 8.84087 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 9.4696 12.9025 8.1856 15.3998 9.82847 6.32615 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 9.4696 12.9025 8.1856 16.1408 8.00678 7.73791 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 9.4696 12.9025 8.1856 14.0658 5.2179 6.75145 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 5.90772 6.48478 6.97487 9.3855 6.54147 6.46089 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 5.64806 12.2591 9.0529 12.6682 7.63368 7.55196 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 9.66843 9.15107 5.9032 16.5831 7.97065 8.52082 numMergedOcc 0
14 mol 159 unq 1 iso 0 dist 9.53056 17.3643 8.52082 16.6051 7.97065 5.9032 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 8.61709 9.54895 8.09718 12.7101 10.9258 8.90076 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 8.61709 9.54895 8.09718 11.8092 5.38691 6.87131 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 8.61709 6.1864 6.73446 12.7101 10.9258 6.62002 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 8.61709 6.1864 6.73446 11.8092 5.38691 9.69818 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.40408 11.6003 8.08764 10.0791 7.98994 9.01462 numMergedOcc 0
20 mol 239 unq 1 iso 0 dist 6.77395 7.64962 8.08764 10.5201 7.98994 9.01462 numMergedOcc 0
21 mol 264 unq 0 iso 0 dist 9.67417 6.28052 5.91213 13.3898 6.20393 7.34094 numMergedOcc 0
