D0K5XL -OEChem-10101305022D 49 52 0 0 0 0 0 0 0999 V2000 11.4371 -2.3650 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.4448 -0.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.1692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.3308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 -0.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 1.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -0.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7128 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 -0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3089 -0.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3051 -1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1769 -0.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1692 -2.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0371 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 0.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 2.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 2.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 -1.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0675 1.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6947 -1.8308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9347 -1.8308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5165 1.0021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8425 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1765 -1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9736 -1.3381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1793 0.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1668 -2.9916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5791 -0.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5728 -2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 21 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 12 2 0 0 0 0 6 15 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$