B8VU5J -OEChem-04022109462D 53 53 0 1 0 0 0 0 0999 V2000 8.3594 6.1010 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 3.6200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4124 3.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 7.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 5.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 4.6200 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3566 6.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 5.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 9.6040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 12.1355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9444 6.1588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2534 5.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9444 6.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 5.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 4.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 7.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1756 8.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 10.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 11.3265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3958 11.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2259 6.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5509 6.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8796 6.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 5.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 4.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 6.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 6.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 9.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 8.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8474 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1989 9.6688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3594 5.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 11.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 10.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0124 11.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 12.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 12.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 12.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3594 6.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 5 18 2 0 0 0 0 6 20 2 0 0 0 0 7 11 1 0 0 0 0 7 46 1 0 0 0 0 8 27 2 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 14 10 1 1 0 0 0 10 20 1 0 0 0 0 10 36 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 12 21 1 0 0 0 0 12 27 1 0 0 0 0 12 44 1 0 0 0 0 28 13 1 1 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 1 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$