0 mol 10 unq 0 iso 0 dist 8.38836 5.40169 7.71365 5.75317 13.7358 7.8329 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 4.21283 13.1457 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.40479 4.90592 6.99746 4.97191 11.1639 4.30252 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.38831 9.36461 6.99746 15.6099 13.1457 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.38831 9.36461 6.99746 12.5557 11.1639 4.30252 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.58012 4.90592 11.8996 4.21283 8.56274 7.85986 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.58012 4.90592 11.8996 4.97191 12.9621 4.30252 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 9.72965 7.40415 12.67 6.37119 13.2403 5.19518 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 5.63315 7.40415 7.00226 6.37119 9.17482 5.19518 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 9.8465 7.40415 5.93722 6.37119 10.2134 5.19518 numMergedOcc 0
10 mol 34 unq 0 iso 0 dist 8.63361 6.15801 5.89577 4.06864 10.207 8.0991 numMergedOcc 0
11 mol 34 unq 1 iso 0 dist 8.63361 6.15801 5.89577 5.9339 13.8182 9.95093 numMergedOcc 0
12 mol 34 unq 2 iso 0 dist 8.63361 9.63403 6.62645 4.06864 10.207 8.80175 numMergedOcc 0
13 mol 90 unq 0 iso 0 dist 7.51138 7.31784 8.39589 4.67883 9.49744 8.61893 numMergedOcc 0
14 mol 90 unq 1 iso 0 dist 9.86843 7.31784 6.30226 4.67883 13.1387 8.61893 numMergedOcc 0
15 mol 90 unq 2 iso 0 dist 6.86146 7.31784 7.57639 4.67883 11.2433 8.61893 numMergedOcc 0
16 mol 90 unq 3 iso 0 dist 8.83296 7.31784 4.215 4.67883 10.0174 8.61893 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 8.03028 8.57827 12.6909 5.19513 12.8633 9.22418 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 7.39754 8.57827 15.1698 5.19513 11.5712 9.22418 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.76594 5.44303 5.67023 9.93041 4.48699 8.47526 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 7.76594 5.39061 5.66194 4.9293 9.58379 7.84546 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 8.93453 9.78667 9.21506 11.2139 9.0233 4.92382 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 8.93453 6.73983 4.38393 13.2445 11.1752 8.40695 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 8.93453 6.73983 4.38393 11.2655 12.2879 9.35867 numMergedOcc 0
24 mol 141 unq 3 iso 0 dist 8.93453 7.64956 6.06881 11.2655 12.2879 9.38036 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 5.73236 6.95372 5.99865 5.42311 7.22 7.2932 numMergedOcc 0
26 mol 154 unq 0 iso 0 dist 9.71408 6.51014 9.78297 4.83835 14.3118 8.90588 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 8.53374 7.14263 3.76192 5.21512 5.97934 5.67088 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.55358 7.46987 13.1254 9.28201 16.601 8.72743 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 7.60991 7.46987 8.74186 9.28201 15.3973 8.72743 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 8.12349 4.5271 6.16503 6.50208 11.6111 7.37629 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 8.12349 4.5271 6.16503 6.3786 9.12783 5.68985 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 8.12349 7.02575 9.6472 8.54557 13.9314 8.2241 numMergedOcc 0
33 mol 193 unq 0 iso 0 dist 5.44396 8.43187 10.6169 5.43768 10.3541 6.21262 numMergedOcc 0
34 mol 193 unq 1 iso 0 dist 6.22972 8.43187 5.56664 5.43768 7.06636 6.21262 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 5.52678 6.37788 5.92931 8.68259 12.7017 8.43182 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 9.81666 8.7028 5.92931 9.38176 12.7017 8.43182 numMergedOcc 0
37 mol 237 unq 0 iso 0 dist 7.63812 5.06628 6.26206 5.20161 9.91414 8.95332 numMergedOcc 0
38 mol 237 unq 1 iso 0 dist 8.51129 5.06628 3.97854 5.20161 12.7566 8.95332 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 8.3149 7.99521 7.16782 5.42399 11.0937 6.49413 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 8.3149 7.99521 7.16782 10.39 12.6218 6.12343 numMergedOcc 0
41 mol 260 unq 2 iso 0 dist 8.3149 7.99521 7.16782 9.79316 9.33382 4.52405 numMergedOcc 0
