0 mol 10 unq 0 iso 0 dist 8.38836 6.02543 5.61051 12.669 11.0246 7.14537 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.38836 6.02543 5.61051 11.4402 14.9856 9.39486 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 7.31982 7.15901 4.55347 4.69849 7.24352 8.34145 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.31982 7.24352 4.69849 8.41793 11.8517 9.50614 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 7.31982 7.24352 4.69849 4.55347 7.15901 8.34145 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 6.91393 5.07125 8.12964 12.931 13.9523 9.47401 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 8.40038 5.07125 11.6453 12.931 15.539 9.47401 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 5.51624 5.71763 11.0802 7.92049 12.5147 7.23305 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 7.8674 6.18348 7.92049 5.33894 5.71763 7.23305 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 7.8674 5.71763 5.33894 7.92049 6.18348 7.23305 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 8.44437 7.44838 9.02856 9.94027 14.9879 9.17843 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 8.26172 6.77921 10.2834 5.25982 9.18511 7.92216 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 5.73236 8.68663 6.16103 15.2605 13.1913 9.29944 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.12349 7.04815 9.57029 5.40422 12.2866 5.67168 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 8.12349 6.07389 10.8203 6.81727 14.6352 8.36129 numMergedOcc 0
15 mol 186 unq 2 iso 0 dist 8.12349 6.07389 10.8203 5.40422 12.2866 5.86483 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 6.53728 7.8744 11.6976 6.05548 11.3657 9.3502 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 6.53728 4.98402 11.2847 6.05548 11.3657 6.46405 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.56257 9.43618 7.3164 14.9695 10.5857 8.85955 numMergedOcc 0
19 mol 227 unq 1 iso 0 dist 9.56257 9.43618 7.3164 11.2819 5.28771 6.09335 numMergedOcc 0
20 mol 227 unq 2 iso 0 dist 9.56257 5.28771 11.2819 7.3164 9.43618 6.09335 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 9.89583 6.53286 13.0611 8.5378 13.4758 4.66186 numMergedOcc 0
22 mol 251 unq 0 iso 0 dist 8.53757 6.42747 8.08775 9.29305 10.5631 9.02417 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.74568 7.14086 7.36132 5.82131 6.02757 9.78237 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 5.74568 7.14086 7.36132 10.0297 11.9664 9.70101 numMergedOcc 0
25 mol 264 unq 2 iso 0 dist 5.74568 7.14086 7.36132 9.58444 8.67231 9.95798 numMergedOcc 0
26 mol 264 unq 3 iso 0 dist 5.74568 6.02757 5.82131 7.36132 7.14086 9.78237 numMergedOcc 0
27 mol 264 unq 4 iso 0 dist 5.74568 8.67231 9.58444 7.36132 7.14086 9.95798 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 7.97588 9.07503 5.54893 5.69778 8.63754 9.69019 numMergedOcc 0
29 mol 284 unq 1 iso 0 dist 7.97588 8.63754 5.69778 5.54893 9.07503 9.69019 numMergedOcc 0
