0 mol 34 unq 0 iso 0 dist 6.75771 7.10504 7.71914 11.2712 6.93364 6.51847 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 5.90246 5.80384 7.71914 9.1555 6.93364 6.51847 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.9648 11.5787 6.96494 12.1007 7.93481 5.60902 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.9648 6.06895 7.01363 12.1007 7.93481 6.11542 numMergedOcc 0
4 mol 69 unq 0 iso 0 dist 9.7198 14.9834 9.70189 12.2364 9.52877 12.2777 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.06039 13.312 9.86739 8.20908 8.11094 7.70536 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 6.06039 10.7702 8.39249 8.20908 8.11094 4.69847 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 6.06039 5.06074 8.93623 8.20908 8.11094 5.83121 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.46812 12.3706 9.94276 13.7767 9.4062 5.21856 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.46812 12.9387 9.05357 13.7767 9.4062 10.0359 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.46812 5.28979 5.99299 13.7767 9.4062 9.07371 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 9.71921 15.9181 9.79554 11.0327 7.54706 8.21295 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 8.58039 11.1543 6.17451 13.5727 7.78247 4.78434 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 8.58039 11.1543 6.17451 7.13104 7.37935 10.7667 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.7572 5.14615 8.75834 5.5169 5.13453 7.15437 numMergedOcc 0
15 mol 225 unq 1 iso 0 dist 8.7572 5.14615 8.75834 14.4704 7.95883 15.2958 numMergedOcc 0
16 mol 225 unq 2 iso 0 dist 8.7572 11.4309 7.51827 5.5169 5.13453 7.13893 numMergedOcc 0
17 mol 225 unq 3 iso 0 dist 8.7572 11.4309 7.51827 14.4704 7.95883 10.4901 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.33963 5.42723 6.152 4.81714 7.89801 5.23507 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.33963 6.20562 7.95168 4.81714 7.89801 5.92529 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.64747 10.9732 6.34801 7.2797 7.18771 10.151 numMergedOcc 0
21 mol 243 unq 0 iso 0 dist 8.75924 12.6574 9.1101 8.93852 6.01071 8.16841 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 8.75924 14.7341 8.93338 8.93852 6.01071 6.03041 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 5.98155 5.36361 6.73692 5.58058 6.353 5.86276 numMergedOcc 0
24 mol 284 unq 0 iso 0 dist 9.73261 4.58856 7.5746 5.36357 7.94959 4.44855 numMergedOcc 0
