D0P1UW -OEChem-04152108362D 48 49 0 1 0 0 0 0 0999 V2000 8.8564 2.6686 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1671 3.6191 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8070 2.3579 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9059 2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.1335 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3246 -2.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.3551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.3616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.2561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5673 1.5118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2101 3.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.5954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9209 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7068 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9813 1.0504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7570 2.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5926 3.6946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5534 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 2.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 1.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 1.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 -0.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 -0.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9598 1.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 0.8166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1282 4.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0808 3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -3.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 2 14 2 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 12 8 1 6 0 0 0 8 38 1 0 0 0 0 9 14 1 0 0 0 0 15 9 1 6 0 0 0 9 39 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 6 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 19 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 43 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M CHG 3 3 -1 4 -1 6 -1 M END $$$$