0 mol 15 unq 0 iso 0 dist 7.12903 8.28153 4.25929 9.03536 8.21493 11.7793 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.58657 7.7312 9.61438 7.07775 9.80108 14.2009 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.93199 6.09002 4.49303 8.77584 6.4934 10.3469 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 7.08557 9.33535 16.4015 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.40841 8.34191 3.8375 11.0466 7.58407 9.9779 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.40841 8.34191 3.8375 5.90225 6.31428 9.79064 numMergedOcc 0
6 mol 58 unq 3 iso 0 dist 6.40841 6.39747 6.11446 11.0466 7.58407 13.5879 numMergedOcc 0
7 mol 58 unq 4 iso 0 dist 6.40841 6.39747 6.11446 5.90225 6.31428 10.307 numMergedOcc 0
8 mol 58 unq 5 iso 0 dist 8.63333 9.23438 4.43437 5.35073 8.89374 7.17488 numMergedOcc 0
9 mol 58 unq 6 iso 0 dist 8.63333 9.23438 4.43437 10.8153 6.46761 6.79356 numMergedOcc 0
10 mol 58 unq 7 iso 0 dist 8.63333 9.23438 4.43437 14.5953 9.73139 12.2384 numMergedOcc 0
11 mol 58 unq 8 iso 0 dist 8.89374 7.17488 4.43437 5.35073 8.63333 9.23438 numMergedOcc 0
12 mol 58 unq 9 iso 0 dist 8.89374 7.17488 4.43437 8.62958 6.46761 6.79356 numMergedOcc 0
13 mol 58 unq 10 iso 0 dist 8.89374 7.17488 4.43437 14.176 9.73139 12.2384 numMergedOcc 0
14 mol 58 unq 11 iso 0 dist 6.46761 6.79356 4.43437 10.8153 8.63333 9.23438 numMergedOcc 0
15 mol 58 unq 12 iso 0 dist 6.46761 6.79356 4.43437 8.62958 8.89374 7.17488 numMergedOcc 0
16 mol 58 unq 13 iso 0 dist 6.46761 6.79356 4.43437 6.47414 9.73139 12.2384 numMergedOcc 0
17 mol 58 unq 14 iso 0 dist 7.58407 6.79356 9.59066 11.0466 6.40841 14.8085 numMergedOcc 0
18 mol 58 unq 15 iso 0 dist 7.58407 6.79356 9.59066 6.47414 6.31428 12.2384 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 numMergedOcc 0
20 mol 72 unq 1 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 9.20981 9.63963 12.2227 4.98336 5.87358 9.56598 numMergedOcc 0
22 mol 114 unq 0 iso 0 dist 8.71128 9.93438 5.80637 5.59517 7.52743 10.7946 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.39889 4.80684 3.71283 11.6667 9.63176 10.1864 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.39889 4.80684 3.71283 11.3169 7.44174 10.3523 numMergedOcc 0
25 mol 127 unq 0 iso 0 dist 8.59981 5.39356 6.92548 11.279 6.192 11.2241 numMergedOcc 0
26 mol 127 unq 1 iso 0 dist 8.59981 5.39356 6.92548 11.4958 7.69308 13.1015 numMergedOcc 0
27 mol 127 unq 2 iso 0 dist 8.59981 5.39356 6.92548 5.55757 7.66331 5.01504 numMergedOcc 0
28 mol 127 unq 3 iso 0 dist 8.59981 9.92746 16.8777 11.279 6.192 20.6774 numMergedOcc 0
29 mol 127 unq 4 iso 0 dist 8.59981 9.92746 16.8777 11.4958 7.69308 21.3361 numMergedOcc 0
30 mol 127 unq 5 iso 0 dist 8.59981 9.92746 16.8777 5.55757 7.66331 12.7755 numMergedOcc 0
31 mol 127 unq 6 iso 0 dist 7.66331 5.01504 6.92548 8.77327 6.192 11.2241 numMergedOcc 0
32 mol 127 unq 7 iso 0 dist 7.66331 5.01504 6.92548 11.521 7.69308 13.1015 numMergedOcc 0
33 mol 127 unq 8 iso 0 dist 7.66331 5.01504 6.92548 5.55757 8.59981 5.39356 numMergedOcc 0
34 mol 127 unq 9 iso 0 dist 7.34519 5.39356 5.87751 5.55757 8.58999 5.01504 numMergedOcc 0
35 mol 127 unq 10 iso 0 dist 7.34519 5.39356 5.87751 6.16471 6.63981 6.80627 numMergedOcc 0
36 mol 127 unq 11 iso 0 dist 7.34519 9.92746 5.08112 5.55757 8.58999 12.7755 numMergedOcc 0
37 mol 127 unq 12 iso 0 dist 7.34519 9.92746 5.08112 6.16471 6.63981 9.86531 numMergedOcc 0
38 mol 127 unq 13 iso 0 dist 8.58999 5.01504 5.87751 5.55757 7.34519 5.39356 numMergedOcc 0
39 mol 127 unq 14 iso 0 dist 8.58999 5.01504 5.87751 4.48524 6.63981 6.80627 numMergedOcc 0
40 mol 127 unq 15 iso 0 dist 6.63981 6.80627 5.87751 6.16471 7.34519 5.39356 numMergedOcc 0
41 mol 127 unq 16 iso 0 dist 6.63981 6.80627 5.87751 4.48524 8.58999 5.01504 numMergedOcc 0
42 mol 130 unq 0 iso 0 dist 6.79146 9.81269 9.6361 7.01619 7.66168 10.8305 numMergedOcc 0
43 mol 130 unq 1 iso 0 dist 6.79146 9.81269 9.6361 6.83397 6.89257 14.8481 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 6.91348 8.80895 6.25029 6.63273 8.6243 12.9064 numMergedOcc 0
45 mol 132 unq 0 iso 0 dist 6.03703 5.77186 5.82383 4.35917 7.61505 9.72307 numMergedOcc 0
46 mol 141 unq 0 iso 0 dist 6.93652 7.46621 5.72856 5.67306 9.54444 10.8694 numMergedOcc 0
47 mol 184 unq 0 iso 0 dist 9.52936 9.84566 4.11581 5.43299 9.15417 11.546 numMergedOcc 0
48 mol 184 unq 1 iso 0 dist 9.52936 8.22001 12.4034 5.43299 9.15417 13.1877 numMergedOcc 0
49 mol 194 unq 0 iso 0 dist 6.47873 9.52922 13.3106 8.48054 8.38695 14.7929 numMergedOcc 0
50 mol 213 unq 0 iso 0 dist 9.59129 8.82761 14.9475 13.7995 8.45368 19.0008 numMergedOcc 0
51 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 7.83217 7.13323 13.5775 numMergedOcc 0
52 mol 218 unq 1 iso 0 dist 7.17547 6.09255 4.36581 7.83217 7.13323 10.0144 numMergedOcc 0
53 mol 228 unq 0 iso 0 dist 8.06181 9.25785 3.65229 5.43096 8.38048 10.7845 numMergedOcc 0
54 mol 228 unq 1 iso 0 dist 8.06181 9.25785 3.65229 11.1899 7.65132 10.6117 numMergedOcc 0
55 mol 228 unq 2 iso 0 dist 8.06181 9.25785 3.65229 5.93014 8.53764 11.3092 numMergedOcc 0
56 mol 228 unq 3 iso 0 dist 7.77367 9.01231 3.62742 5.42695 8.20909 10.7241 numMergedOcc 0
57 mol 228 unq 4 iso 0 dist 7.77367 9.01231 3.62742 11.3702 7.94506 10.8727 numMergedOcc 0
58 mol 228 unq 5 iso 0 dist 7.77367 9.01231 3.62742 6.001 8.15494 10.978 numMergedOcc 0
59 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 9.85037 9.43058 14.4487 numMergedOcc 0
60 mol 235 unq 1 iso 0 dist 9.58736 8.08965 14.2299 13.6669 8.75735 18.6146 numMergedOcc 0
61 mol 235 unq 2 iso 0 dist 9.58736 8.08965 14.2299 16.4493 6.98084 19.6952 numMergedOcc 0
62 mol 235 unq 3 iso 0 dist 9.58736 8.08965 14.2299 15.4 7.32211 21.1783 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 6.05141 8.94231 3.94343 5.6348 8.09066 8.88652 numMergedOcc 0
64 mol 238 unq 1 iso 0 dist 6.05141 8.94231 3.94343 8.87326 7.2766 6.46771 numMergedOcc 0
65 mol 238 unq 2 iso 0 dist 8.14172 8.88652 12.0336 5.31152 6.77463 6.46771 numMergedOcc 0
66 mol 238 unq 3 iso 0 dist 8.09066 8.88652 3.94343 5.6348 6.05141 8.94231 numMergedOcc 0
67 mol 238 unq 4 iso 0 dist 8.09066 8.88652 3.94343 5.31152 7.2766 6.46771 numMergedOcc 0
68 mol 238 unq 5 iso 0 dist 6.77463 6.46771 12.0336 5.31152 8.14172 8.88652 numMergedOcc 0
69 mol 238 unq 6 iso 0 dist 7.2766 6.46771 3.94343 8.87326 6.05141 8.94231 numMergedOcc 0
70 mol 238 unq 7 iso 0 dist 7.2766 6.46771 3.94343 5.31152 8.09066 8.88652 numMergedOcc 0
71 mol 240 unq 0 iso 0 dist 6.15305 5.77749 6.06674 4.28414 7.03489 9.30946 numMergedOcc 0
72 mol 256 unq 0 iso 0 dist 5.24676 4.80903 3.89364 9.92128 8.09363 9.59773 numMergedOcc 0
73 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 12.5353 7.48005 17.2404 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 8.37865 8.25897 11.0001 12.5353 7.48005 17.9677 numMergedOcc 0
