0 mol 20 unq 0 iso 0 dist 6.93199 6.09002 4.49303 8.77584 6.4934 10.3469 7.06175 5.9809 7.99756 5.48225 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.93199 6.09002 4.49303 8.77584 6.4934 10.3469 3.79581 5.83917 4.36087 9.03258 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 8.26899 9.4278 13.4402 7.08557 9.33535 16.4015 6.20618 7.60018 13.8891 7.00806 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 8.26899 9.4278 13.4402 7.08557 9.33535 16.4015 5.61579 7.03126 10.8756 9.53718 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 5.72408 9.37102 13.1776 10.0679 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 3.94376 5.4605 9.92478 5.69391 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 8.624 8.26541 10.4337 5.36766 6.77912 4.86198 6.19288 6.53824 8.77831 4.03844 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 10.0679 9.37102 13.1776 5.72408 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 5.69391 5.4605 9.92478 3.94376 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 6.77912 4.86198 10.4337 5.36766 8.624 8.26541 4.03844 6.53824 8.77831 6.19288 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 9.20981 9.63963 12.2227 4.98336 5.87358 9.56598 4.94189 8.38791 13.9863 6.35679 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.39889 4.80684 3.71283 11.6667 9.63176 10.1864 6.30721 6.55202 4.55071 6.9194 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 7.39889 4.80684 3.71283 11.6667 9.63176 10.1864 14.443 9.08536 12.3503 9.68677 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 7.39889 4.80684 3.71283 11.3169 7.44174 10.3523 6.30721 6.55202 4.55071 12.4621 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 7.39889 4.80684 3.71283 11.3169 7.44174 10.3523 14.443 9.08536 12.3503 6.20019 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 6.79146 9.81269 9.6361 7.01619 7.66168 10.8305 4.66904 8.9677 13.3448 11.1455 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 6.79146 9.81269 9.6361 6.83397 6.89257 14.8481 4.66904 8.9677 13.3448 7.52422 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 9.52936 9.84566 4.11581 5.43299 9.15417 11.546 13.8904 7.59939 11.4796 10.3179 numMergedOcc 0
18 mol 184 unq 1 iso 0 dist 9.52936 8.22001 12.4034 5.43299 9.15417 13.1877 13.8904 7.59939 19.3206 10.3179 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 9.59129 8.82761 14.9475 13.7995 8.45368 19.0008 10.1881 5.461 14.5549 4.72944 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 7.17547 6.1896 10.7049 7.83217 7.13323 13.5775 15.6802 8.61306 18.2643 13.7327 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 7.17547 6.09255 4.36581 7.83217 7.13323 10.0144 15.6802 8.61306 11.3734 13.7327 numMergedOcc 0
22 mol 228 unq 0 iso 0 dist 8.06181 9.25785 3.65229 5.43096 8.38048 10.7845 9.3302 7.84881 8.92379 6.49596 numMergedOcc 0
23 mol 228 unq 1 iso 0 dist 8.06181 9.25785 3.65229 11.1899 7.65132 10.6117 9.3302 7.84881 8.92379 6.30327 numMergedOcc 0
24 mol 228 unq 2 iso 0 dist 8.06181 9.25785 3.65229 5.93014 8.53764 11.3092 9.3302 7.84881 8.92379 11.9013 numMergedOcc 0
25 mol 228 unq 3 iso 0 dist 7.77367 9.01231 3.62742 5.42695 8.20909 10.7241 9.39743 7.86746 9.06403 6.65033 numMergedOcc 0
26 mol 228 unq 4 iso 0 dist 7.77367 9.01231 3.62742 11.3702 7.94506 10.8727 9.39743 7.86746 9.06403 6.19376 numMergedOcc 0
27 mol 228 unq 5 iso 0 dist 7.77367 9.01231 3.62742 6.001 8.15494 10.978 9.39743 7.86746 9.06403 11.8243 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 9.58736 8.08965 14.2299 9.85037 9.43058 14.4487 13.7306 7.02029 17.3764 7.31605 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 9.58736 8.08965 14.2299 13.6669 8.75735 18.6146 13.7306 7.02029 17.3764 4.12497 numMergedOcc 0
30 mol 235 unq 2 iso 0 dist 9.58736 8.08965 14.2299 16.4493 6.98084 19.6952 13.7306 7.02029 17.3764 8.26028 numMergedOcc 0
31 mol 235 unq 3 iso 0 dist 9.58736 8.08965 14.2299 15.4 7.32211 21.1783 13.7306 7.02029 17.3764 10.7187 numMergedOcc 0
32 mol 238 unq 0 iso 0 dist 6.05141 8.94231 3.94343 5.6348 8.09066 8.88652 5.27215 8.69525 9.71857 6.13368 numMergedOcc 0
33 mol 238 unq 1 iso 0 dist 6.05141 8.94231 3.94343 8.87326 7.2766 6.46771 5.27215 8.69525 9.71857 10.0605 numMergedOcc 0
34 mol 238 unq 2 iso 0 dist 8.09066 8.88652 3.94343 5.6348 6.05141 8.94231 6.13368 8.69525 9.71857 5.27215 numMergedOcc 0
35 mol 238 unq 3 iso 0 dist 8.09066 8.88652 3.94343 5.31152 7.2766 6.46771 6.13368 8.69525 9.71857 10.0605 numMergedOcc 0
36 mol 238 unq 4 iso 0 dist 7.2766 6.46771 3.94343 8.87326 6.05141 8.94231 10.0605 8.69525 9.71857 5.27215 numMergedOcc 0
37 mol 238 unq 5 iso 0 dist 7.2766 6.46771 3.94343 5.31152 8.09066 8.88652 10.0605 8.69525 9.71857 6.13368 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.37865 9.18798 10.5148 12.5353 7.48005 17.2404 4.04513 8.84648 12.3781 10.282 numMergedOcc 0
39 mol 259 unq 1 iso 0 dist 8.37865 9.18798 10.5148 12.5353 7.48005 17.2404 7.09907 6.23661 12.745 10.067 numMergedOcc 0
40 mol 259 unq 2 iso 0 dist 8.37865 8.25897 11.0001 12.5353 7.48005 17.9677 4.04513 8.84648 12.1864 10.282 numMergedOcc 0
41 mol 259 unq 3 iso 0 dist 8.37865 8.25897 11.0001 12.5353 7.48005 17.9677 7.09907 6.23661 10.838 10.067 numMergedOcc 0
