0 mol 1 unq 0 iso 0 dist 5.74199 6.2936 10.4951 10.7639 15.4053 7.83632 numMergedOcc 0
1 mol 17 unq 0 iso 0 dist 9.26685 9.78918 14.8435 8.32923 14.8214 7.82406 numMergedOcc 0
2 mol 17 unq 1 iso 0 dist 9.26685 6.80314 14.487 8.32923 14.8214 9.877 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.04551 5.60663 9.48836 4.09894 8.95084 8.58829 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.31161 5.60663 5.2902 4.09894 7.8518 8.58829 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 6.08228 9.23947 11.3115 5.68492 9.82635 9.32552 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.4438 6.82707 7.94629 9.24886 9.30737 8.10446 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.41952 6.64915 11.3722 5.79235 13.087 5.9249 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.56884 6.15654 7.21296 6.3678 9.76708 6.72712 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 9.56884 6.15654 7.21296 7.31722 11.6587 5.39745 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 8.67865 6.15654 9.52463 6.3678 13.785 6.72712 numMergedOcc 0
11 mol 92 unq 3 iso 0 dist 8.67865 6.15654 9.52463 7.31722 11.3299 5.39745 numMergedOcc 0
12 mol 92 unq 4 iso 0 dist 8.40148 6.15654 9.30089 6.3678 13.0376 6.72712 numMergedOcc 0
13 mol 92 unq 5 iso 0 dist 8.40148 6.15654 9.30089 7.31722 13.8795 5.39745 numMergedOcc 0
14 mol 111 unq 0 iso 0 dist 8.83191 9.63728 5.67736 6.13136 4.9128 9.10794 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 9.95726 7.81731 4.69874 5.80806 11.9027 7.70313 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.85526 7.50264 9.66528 5.43722 10.0693 6.93279 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 5.33543 7.50264 5.45341 5.43722 8.33489 6.93279 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 5.97008 9.31172 14.253 8.94838 11.7679 6.64779 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 12.848 17.4511 9.75763 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 9.45847 4.88303 13.3059 6.36605 10.3501 7.0685 numMergedOcc 0
21 mol 184 unq 2 iso 0 dist 9.45847 4.88303 13.3059 8.2618 11.7115 6.44904 numMergedOcc 0
22 mol 184 unq 3 iso 0 dist 7.895 4.88303 5.18787 12.848 12.2049 9.75763 numMergedOcc 0
23 mol 184 unq 4 iso 0 dist 7.895 4.88303 5.18787 6.36605 10.1031 7.0685 numMergedOcc 0
24 mol 184 unq 5 iso 0 dist 7.895 4.88303 5.18787 8.2618 11.4784 6.44904 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 5.69763 6.57575 6.38935 11.7133 11.6958 9.3402 numMergedOcc 0
26 mol 194 unq 1 iso 0 dist 7.38622 9.30761 7.75447 4.90091 10.942 9.3402 numMergedOcc 0
27 mol 194 unq 2 iso 0 dist 8.82165 9.30761 6.38935 4.90091 11.6958 9.3402 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 7.57716 8.32948 4.45003 6.68039 9.55672 6.78758 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 8.98362 8.32948 14.9758 6.68039 14.1161 6.78758 numMergedOcc 0
30 mol 227 unq 0 iso 0 dist 6.91184 9.62583 4.98219 5.52229 9.69775 9.52615 numMergedOcc 0
31 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 4.87212 9.00007 7.17337 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 9.09835 9.85821 15.7033 10.9858 14.9822 5.88802 numMergedOcc 0
33 mol 239 unq 1 iso 0 dist 7.21466 9.85821 11.3034 10.9858 11.9213 5.88802 numMergedOcc 0
34 mol 253 unq 0 iso 0 dist 9.58767 9.50983 7.48646 14.0411 14.7327 9.58354 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 7.02503 9.38952 11.9041 9.6632 14.0501 5.80452 numMergedOcc 0
36 mol 280 unq 1 iso 0 dist 7.02503 9.38952 11.9041 12.7222 17.989 7.82157 numMergedOcc 0
37 mol 280 unq 2 iso 0 dist 8.57733 7.42529 11.1898 5.97333 13.5117 5.80452 numMergedOcc 0
38 mol 280 unq 3 iso 0 dist 8.57733 7.42529 11.1898 11.9982 18.3317 7.82157 numMergedOcc 0
39 mol 280 unq 4 iso 0 dist 9.05509 7.42529 11.0648 5.97333 12.4313 5.80452 numMergedOcc 0
40 mol 280 unq 5 iso 0 dist 9.05509 7.42529 11.0648 11.9982 18.3011 7.82157 numMergedOcc 0
41 mol 294 unq 0 iso 0 dist 8.0661 7.14502 7.87119 6.34998 12.9708 7.36811 numMergedOcc 0
