D0T5MD -OEChem-10101305022D 46 49 0 1 0 0 0 0 0999 V2000 4.3393 0.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2366 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 2.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5473 -0.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 2.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1936 -0.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8364 -1.8757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 1.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2904 0.5363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3393 1.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2366 0.2316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7431 3.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8202 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 3.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8149 -2.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1256 -3.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4578 -3.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1041 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7684 -4.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4148 -4.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7469 -4.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 2.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 -0.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7777 2.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8491 0.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2232 3.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 1.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 0.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5707 4.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8648 5.5475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 5.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 0.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2811 1.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4288 -1.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8355 -1.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8511 -3.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5182 -2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3544 -5.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0214 -4.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9395 -5.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 10 3 1 1 0 0 0 3 17 1 0 0 0 0 11 4 1 6 0 0 0 4 18 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 6 0 0 0 9 11 1 0 0 0 0 9 27 1 6 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$