B9IT1S -OEChem-04012112162D 36 39 0 0 0 0 0 0 0999 V2000 5.5443 0.8882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 -3.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 -1.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 -0.7479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.5653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6166 0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8229 -0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2228 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8518 -1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3609 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3115 1.0811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5177 0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6588 -2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7105 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 2.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6161 -0.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -1.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 -2.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 1.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7729 1.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1070 -0.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0512 -3.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 25 1 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 13 1 0 0 0 0 8 21 2 0 0 0 0 9 15 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 29 1 0 0 0 0 16 24 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 23 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 26 2 0 0 0 0 26 35 1 0 0 0 0 M END $$$$