B3X9SJ -OEChem-04042102463D 34 36 0 0 0 0 0 0 0999 V2000 -5.7574 -0.3550 0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 2.9307 -1.0343 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 2.9264 1.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 -1.2920 -0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5635 -0.1228 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1665 -0.0961 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -1.3084 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 1.0947 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -0.1630 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 1.1147 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 -0.1769 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 -2.5176 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 0.8934 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2511 -1.2844 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6233 -1.4000 -0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -2.5715 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7586 0.8287 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 -1.3488 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3981 -0.2924 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 2.3798 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4665 0.7605 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 2.0610 0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 0.7230 0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 -3.4496 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9088 1.7730 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 -2.1203 0.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7082 -1.4381 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -3.5303 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 1.6813 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1372 -2.2234 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 3.7930 -0.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2737 1.6738 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5349 0.5416 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2627 0.8899 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 20 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$