L1KCD3 -OEChem-05022322483D 40 42 0 0 0 0 0 0 0999 V2000 0.0355 -2.1902 1.1753 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -0.6350 -2.5074 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 2.8676 1.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0246 -1.9877 2.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -3.3234 1.2637 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 0.0529 1.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 1.8851 0.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8472 -2.2078 -0.3416 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -0.7230 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -0.5969 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 0.6200 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 0.3354 1.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 1.6749 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 -1.6517 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 1.5321 1.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 0.7461 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 -1.0309 -0.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 -1.5090 -1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -0.3123 -1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -0.6463 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 -0.2743 -1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4177 0.4948 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 0.8668 -2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 1.2512 -1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 3.8651 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 0.8966 0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3162 0.2704 2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 -2.6874 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 -2.6018 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 2.3516 2.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 1.6637 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8432 -2.3296 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -0.2019 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -1.2634 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4934 1.4556 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5126 2.1436 -1.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 4.1916 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5899 3.4951 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2417 4.7240 0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7027 0.3328 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 21 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 6 26 1 0 0 0 0 6 40 1 0 0 0 0 7 26 2 0 0 0 0 8 17 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$