B1IB7D
-OEChem-04042103233D
50 54 0 1 0 0 0 0 0999 V2000
-4.6665 2.6718 -1.4322 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 3.0487 -0.3462 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5959 0.4518 -0.7064 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3675 1.0340 -0.4350 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8210 4.0064 2.8246 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3022 -3.5129 -0.2218 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5730 -1.3004 -0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7333 -1.4795 0.9394 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6505 -2.2668 1.0517 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 -4.1493 0.1288 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5468 2.4800 -0.5912 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8279 3.1542 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5758 3.2306 1.6351 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2946 3.0801 -1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4056 3.8057 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4250 0.1385 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0737 -1.2967 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7987 -1.8709 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9695 -3.2468 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9834 -2.3334 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7379 -1.6441 0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.5469 -0.3785 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2184 -3.5605 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7214 0.5391 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4041 2.6353 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1952 4.1711 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6307 2.6267 1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 2.2067 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 4.1180 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0171 2.5191 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5147 3.7642 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5717 4.8562 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4334 0.6973 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 3.5869 3.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 4.0034 3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0556 -2.3435 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7208 -4.4326 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0341 -4.2616 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7047 0.5079 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4302 0.7094 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7350 -1.9958 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7846 -2.7766 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2099 -1.0441 2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1900 2.3716 -2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
1 30 1 0 0 0 0
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3 16 2 0 0 0 0
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27 30 2 0 0 0 0
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29 30 1 0 0 0 0
29 50 1 0 0 0 0
M END
$$$$