BD3X1U -OEChem-04022108433D 40 42 0 0 0 0 0 0 0999 V2000 4.4348 -0.9160 -0.0439 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7217 -0.8411 0.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 -1.5655 -1.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 -2.0162 -0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.5788 1.0462 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8944 -0.0172 0.3066 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4296 -0.1656 -0.7011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 -1.4679 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 0.7461 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -1.2487 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 -2.0360 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.7902 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -1.9263 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 -0.6806 1.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3178 1.7196 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9473 1.0370 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 -1.1337 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 3.0294 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 2.3467 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 3.3428 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2589 0.3419 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 1.4899 0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1179 -0.4510 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0752 1.8171 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8752 0.9641 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 -1.4887 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.5921 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 -0.3490 2.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -2.3766 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 -0.1768 1.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0228 1.4943 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 0.2803 -1.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2123 3.8046 1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 2.5911 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 4.3624 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 0.6643 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0791 2.1391 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8469 -1.3656 -1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4837 2.7116 1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9303 1.1745 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 4 17 2 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 6 36 1 0 0 0 0 7 23 1 0 0 0 0 7 25 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 18 20 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$