0 mol 18 unq 0 iso 0 dist 7.23594 6.05493 9.1397 7.63261 6.47139 6.09533 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 9.84657 4.98775 6.09002 13.5751 4.75787 8.93826 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.84657 4.98775 6.09002 12.119 6.21227 7.17695 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 9.15677 14.2359 8.31381 10.1983 5.3315 7.89667 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 9.61029 11.3355 8.31381 14.2961 5.3315 7.89667 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 7.80757 13.7086 7.91148 11.1617 7.17843 8.48827 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 7.80757 13.7086 7.91148 7.50417 4.4651 8.03895 numMergedOcc 0
7 mol 78 unq 2 iso 0 dist 7.80757 10.9209 6.59794 11.1617 7.17843 7.14048 numMergedOcc 0
8 mol 78 unq 3 iso 0 dist 7.80757 10.9209 6.59794 7.50417 4.4651 5.68873 numMergedOcc 0
9 mol 78 unq 4 iso 0 dist 9.2835 12.7015 7.91148 8.29369 7.17843 8.48827 numMergedOcc 0
10 mol 78 unq 5 iso 0 dist 9.2835 12.7015 7.91148 9.93708 4.4651 8.03895 numMergedOcc 0
11 mol 78 unq 6 iso 0 dist 9.2835 12.9102 6.59794 8.29369 7.17843 7.14048 numMergedOcc 0
12 mol 78 unq 7 iso 0 dist 9.2835 12.9102 6.59794 9.93708 4.4651 5.68873 numMergedOcc 0
13 mol 78 unq 8 iso 0 dist 5.02591 11.1086 7.91148 6.75455 7.17843 8.48827 numMergedOcc 0
14 mol 78 unq 9 iso 0 dist 5.02591 11.1086 7.91148 6.28063 4.4651 8.03895 numMergedOcc 0
15 mol 78 unq 10 iso 0 dist 5.02591 10.2834 6.59794 6.75455 7.17843 7.14048 numMergedOcc 0
16 mol 78 unq 11 iso 0 dist 5.02591 10.2834 6.59794 6.28063 4.4651 5.68873 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 8.91837 8.29666 7.44558 13.8996 11.1132 6.3323 numMergedOcc 0
18 mol 117 unq 0 iso 0 dist 8.76613 3.45896 7.78789 11.8028 6.7814 9.30187 numMergedOcc 0
19 mol 117 unq 1 iso 0 dist 8.76613 8.51501 7.42146 13.9719 11.1675 6.01857 numMergedOcc 0
20 mol 122 unq 0 iso 0 dist 5.09114 4.92712 4.42563 4.38961 4.42285 6.80798 numMergedOcc 0
21 mol 136 unq 0 iso 0 dist 6.53519 4.3516 9.92504 6.27434 6.38418 9.73897 numMergedOcc 0
22 mol 168 unq 0 iso 0 dist 6.60477 7.42753 8.92592 13.5186 12.1014 8.00063 numMergedOcc 0
23 mol 196 unq 0 iso 0 dist 6.60651 7.94541 4.67869 10.1209 4.57882 6.10505 numMergedOcc 0
24 mol 213 unq 0 iso 0 dist 6.82185 7.38644 8.82761 11.4116 7.78293 7.49754 numMergedOcc 0
25 mol 213 unq 1 iso 0 dist 6.82881 7.38644 4.66576 11.4116 4.67262 7.49754 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 5.52981 8.95992 6.1896 8.59762 4.94196 7.68062 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 7.92491 5.91899 9.07995 5.33054 4.44211 9.35302 numMergedOcc 0
