0 mol 8 unq 0 iso 0 dist 8.94096 14.5611 7.12263 17.0548 8.64248 8.83742 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.07858 12.9762 7.12263 15.5373 8.64248 8.83742 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.82483 10.4204 5.55437 9.81658 8.17486 7.05919 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.62284 11.3767 9.38831 11.8884 4.47891 8.24948 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 7.85041 8.01991 7.8674 12.3562 7.92049 6.18348 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.87025 11.1324 8.03035 14.4956 6.71103 9.6121 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 9.87025 11.1324 8.03035 6.13374 6.29394 9.57341 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 5.85818 8.96522 8.03035 6.55202 6.71103 9.6121 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 5.85818 8.96522 8.03035 9.08536 6.29394 9.57341 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 8.01587 5.39245 6.98813 6.88846 7.10913 7.19291 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 8.01587 5.39245 6.98813 10.1171 6.30391 6.66504 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 6.40901 7.12863 5.73236 12.1784 6.55089 7.16698 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 6.40901 7.12863 5.73236 7.46803 6.16103 8.68663 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 7.53158 6.2969 9.14458 11.8486 9.30554 7.97022 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 7.43407 6.70864 9.14458 12.3833 9.30554 7.97022 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.21206 4.05428 9.05835 7.59939 6.19242 7.32888 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.94153 7.0016 8.12349 11.0523 6.38897 8.31881 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 7.94747 5.91268 5.44396 10.4153 3.9625 7.39445 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 5.13453 8.99405 6.53728 8.91356 6.35462 9.87668 numMergedOcc 0
19 mol 225 unq 1 iso 0 dist 5.13453 8.99405 6.53728 11.0655 5.94765 8.42121 numMergedOcc 0
20 mol 225 unq 2 iso 0 dist 5.13453 8.99405 6.53728 11.5012 11.6976 7.8744 numMergedOcc 0
21 mol 225 unq 3 iso 0 dist 5.13453 8.99405 6.53728 13.9144 11.2847 4.98402 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.20589 8.84427 9.56257 12.2075 7.3164 9.43618 numMergedOcc 0
23 mol 227 unq 1 iso 0 dist 7.89801 5.95112 9.56257 11.5426 7.3164 9.43618 numMergedOcc 0
24 mol 227 unq 2 iso 0 dist 7.1372 5.92529 9.56257 7.79951 11.2819 5.28771 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 9.42618 18.0054 9.89583 18.3572 13.0611 6.53286 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.42738 8.79843 5.74568 13.8261 5.82131 6.02757 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 9.42738 8.79843 5.74568 16.5669 9.58444 8.67231 numMergedOcc 0
28 mol 284 unq 0 iso 0 dist 8.27054 12.9607 7.97588 11.4133 5.69778 8.63754 numMergedOcc 0
