0 mol 34 unq 0 iso 0 dist 6.72467 10.0379 8.55901 13.7103 10.3706 9.03412 numMergedOcc 0
1 mol 105 unq 0 iso 0 dist 7.81122 5.74792 6.50017 10.7094 11.3312 6.52726 numMergedOcc 0
2 mol 105 unq 1 iso 0 dist 7.81122 5.74792 6.50017 11.54 5.27191 9.12363 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 9.99454 5.80806 7.99631 10.2233 9.37623 6.40036 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 9.17877 6.24842 9.05357 13.4101 7.38238 9.94276 numMergedOcc 0
5 mol 133 unq 1 iso 0 dist 9.17877 6.24842 9.05357 11.4833 9.00907 5.99299 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 5.17739 6.92517 7.49546 10.9743 10.1725 5.63811 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 5.40251 7.15311 5.63811 13.2917 10.1725 7.49546 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.82011 6.55605 8.55681 12.1002 10.8776 6.2135 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 8.76325 6.78713 8.89778 12.0468 6.88258 9.47554 numMergedOcc 0
10 mol 224 unq 1 iso 0 dist 8.85101 7.09867 8.89778 13.64 6.88258 9.47554 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 6.37369 6.0465 6.152 12.5474 8.55671 7.95168 numMergedOcc 0
12 mol 228 unq 0 iso 0 dist 9.91303 12.6531 7.46689 17.6368 8.57673 8.37287 numMergedOcc 0
13 mol 228 unq 1 iso 0 dist 4.55699 6.24124 7.46689 8.10816 8.57673 8.37287 numMergedOcc 0
14 mol 228 unq 2 iso 0 dist 8.10816 6.24124 8.37287 4.55699 8.57673 7.46689 numMergedOcc 0
15 mol 228 unq 3 iso 0 dist 7.81837 14.7313 8.37287 15.8957 8.57673 7.46689 numMergedOcc 0
16 mol 228 unq 4 iso 0 dist 7.95486 6.22795 8.07174 4.42593 8.22089 7.09766 numMergedOcc 0
17 mol 228 unq 5 iso 0 dist 4.42593 6.22795 7.09766 7.95486 8.22089 8.07174 numMergedOcc 0
18 mol 228 unq 6 iso 0 dist 7.97746 14.3906 8.07174 15.5327 8.22089 7.09766 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.40309 11.7895 6.5772 9.40892 5.44694 6.65088 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.40309 11.7895 6.5772 11.3167 6.32518 8.70193 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.40309 11.7895 6.5772 11.5826 9.50847 6.17025 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 6.40309 11.7895 6.5772 17.2602 14.4744 9.0378 numMergedOcc 0
