B3BP5X -OEChem-04012117092D 44 47 0 0 0 0 0 0 0999 V2000 4.5961 0.2124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 0.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 -0.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0995 1.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9862 -0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 -1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 -0.0203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 -1.6298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 -0.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 0.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8304 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8304 -1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 -1.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9862 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 -0.7643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -0.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 0.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9315 0.6823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7919 -0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -0.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 0.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 0.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 -2.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3886 -1.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 2.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -0.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5952 0.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5952 -2.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 2.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 2.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 5 24 2 0 0 0 0 6 14 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 24 1 0 0 0 0 7 40 1 0 0 0 0 8 18 1 0 0 0 0 8 24 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 22 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$