B3OB8Q -OEChem-04012116122D 52 55 0 1 0 0 0 0 0999 V2000 4.5152 -0.9233 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 0.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 5.4622 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3395 4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 2.5277 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1132 0.5767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 4.4840 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2472 -3.9233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7472 -5.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7472 -5.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 1.5767 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4223 2.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1132 1.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 3.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 2.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 2.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 3.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3812 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1132 -2.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -2.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4382 -4.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0562 -4.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9887 2.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7323 3.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5068 1.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 0.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0281 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1984 3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 0.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 1.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2559 1.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 0.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2389 1.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 4.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6982 2.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -1.1133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 4.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 3.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 3.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 -2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 -4.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6459 -4.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 17 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 41 1 0 0 0 0 7 18 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 30 2 0 0 0 0 10 31 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$