D4W2AC
-OEChem-01102402233D
51 54 0 0 0 0 0 0 0999 V2000
0.4745 2.7133 1.9237 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 -1.7697 1.9226 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5896 -0.9471 1.9221 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4519 2.5789 -0.4053 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0092 -1.6803 -0.4062 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4609 -0.8981 -0.4065 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2397 1.3727 1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0689 -0.8965 1.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3109 -0.4801 1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3093 0.4775 1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 0.8940 1.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2412 -1.3753 1.9213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 3.3483 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6080 -2.1823 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1949 -1.1672 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5651 3.2105 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5005 -2.0925 -1.5963 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 -1.1152 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8272 4.7125 0.6678 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6694 -3.0725 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4967 -1.6406 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8051 4.5682 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5568 -2.9784 -1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3597 -1.5861 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9374 5.3264 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1469 -3.4733 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0831 -1.8514 -0.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4199 2.3655 -2.8166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8416 -1.5432 -2.8175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2592 -0.8177 -2.8177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3306 0.8507 1.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9043 1.5918 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4286 -2.4463 1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9282 5.2894 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1182 -3.4492 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0472 -1.8422 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 5.0357 -2.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9201 -3.2841 -2.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8065 -1.7461 -2.7108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1263 6.3936 -0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9772 -4.1699 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1017 -2.2215 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1895 1.3326 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3945 2.7384 -3.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3498 2.3668 -3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -0.8306 -2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3815 -2.3492 -3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 -1.0204 -3.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2494 -0.5015 -2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1753 -1.7089 -3.4476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7248 -0.0122 -3.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 13 1 0 0 0 0
2 8 1 0 0 0 0
2 14 1 0 0 0 0
3 9 1 0 0 0 0
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10 31 1 0 0 0 0
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12 33 1 0 0 0 0
13 19 2 0 0 0 0
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20 26 1 0 0 0 0
20 35 1 0 0 0 0
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22 25 2 0 0 0 0
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23 26 2 0 0 0 0
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24 27 2 0 0 0 0
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27 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
29 46 1 0 0 0 0
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29 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
30 51 1 0 0 0 0
M END
$$$$