0 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 6.119 5.55437 8.71372 12.8359 8.17486 11.1582 7.05919 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 4.93188 6.6219 8.32592 9.48345 9.40479 14.4379 10.9113 9.57743 17.051 8.24948 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 4.93188 6.6219 8.32592 14.4162 9.58012 16.6774 9.33482 5.11135 9.39954 7.96195 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 4.93188 5.68215 8.10397 9.48345 9.40479 13.0098 10.9113 9.57743 10.7501 8.24948 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 4.93188 5.68215 8.10397 14.4162 9.58012 16.4932 9.33482 5.11135 11.9756 7.96195 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.24958 8.87744 7.55689 13.1456 9.40479 16.4641 16.707 9.57743 16.5268 8.24948 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 9.24958 8.87744 7.55689 10.0655 9.58012 11.3572 7.27472 5.11135 3.73215 7.96195 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.24958 7.27472 5.11135 13.1456 9.40479 13.5399 16.707 9.57743 13.4516 8.24948 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 4.99056 8.03035 9.57341 11.2897 6.71103 12.7135 9.6121 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.56342 7.64052 6.29394 3.78311 8.03035 9.57341 12.31 6.71103 12.7135 9.6121 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 6.37542 7.64052 9.64502 3.78311 7.6968 9.57341 12.31 12.4868 12.7135 9.6121 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.41611 7.36975 9.05786 10.8441 5.73236 13.5717 13.8345 6.55089 15.3009 7.16698 numMergedOcc 0
12 mol 143 unq 1 iso 0 dist 8.41611 7.36975 9.05786 10.8441 5.73236 13.5717 5.40637 6.16103 10.1474 8.68663 numMergedOcc 0
13 mol 143 unq 2 iso 0 dist 8.41611 5.40637 6.16103 10.8441 5.73236 8.68663 13.8345 6.55089 9.42812 7.16698 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.77552 8.9192 7.11377 7.2238 6.39031 10.6459 6.59889 4.71678 3.55572 7.1069 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 5.16512 9.05835 13.1226 6.73504 6.19242 9.88527 7.32888 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.20574 6.61112 8.58039 12.7155 7.55358 14.0095 19.553 13.0608 18.4154 8.57801 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 9.83476 9.51091 8.93258 6.87725 8.12349 11.7345 7.2793 6.38897 3.47886 8.31881 numMergedOcc 0
18 mol 186 unq 2 iso 0 dist 9.83476 7.85184 11.924 6.87725 8.12349 12.1449 7.2793 6.38897 12.5618 8.31881 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 9.09424 5.94765 8.05944 8.42121 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 11.8802 11.6976 16.7885 7.8744 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 6.6561 6.50998 6.35462 4.76151 6.53728 9.87668 8.14831 11.2847 13.7858 4.98402 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 6.50998 6.35462 8.05944 9.87668 numMergedOcc 0
23 mol 225 unq 4 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 11.8802 11.6976 14.5755 7.8744 numMergedOcc 0
24 mol 225 unq 5 iso 0 dist 6.6561 9.09424 5.94765 4.76151 6.53728 8.42121 8.14831 11.2847 11.2712 4.98402 numMergedOcc 0
25 mol 225 unq 6 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 6.50998 6.35462 13.7858 9.87668 numMergedOcc 0
26 mol 225 unq 7 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 9.09424 5.94765 11.2712 8.42121 numMergedOcc 0
27 mol 225 unq 8 iso 0 dist 6.6561 8.14831 11.2847 4.76151 6.53728 4.98402 11.8802 11.6976 8.90802 7.8744 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 6.4398 8.82351 6.22195 5.87253 9.89583 11.2897 11.1002 13.0611 15.8902 6.53286 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 6.04162 9.19754 5.82131 6.84156 5.74568 6.02757 13.8802 9.58444 5.23295 8.67231 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 6.14323 8.29262 5.82131 9.37297 5.74568 6.02757 13.4196 9.58444 5.23295 8.67231 numMergedOcc 0
