B8ITB9 -OEChem-04012115112D 55 59 0 0 0 0 0 0 0999 V2000 16.4730 1.9326 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.7657 0.8564 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1915 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9973 -1.3653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.1674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8302 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4981 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9224 -0.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0255 -1.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1409 1.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4766 -0.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1194 1.3945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7872 0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2475 -1.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5640 -1.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8906 -0.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0564 0.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3120 1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 0.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9908 0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1938 0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -0.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4573 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 1.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 3 36 1 0 0 0 0 4 21 1 0 0 0 0 4 34 1 0 0 0 0 5 34 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 37 1 0 0 0 0 7 22 1 0 0 0 0 7 23 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 39 1 0 0 0 0 14 24 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 18 27 2 0 0 0 0 19 22 2 0 0 0 0 19 28 1 0 0 0 0 19 32 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 33 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 24 34 1 0 0 0 0 24 45 1 0 0 0 0 25 31 2 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 31 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 35 2 0 0 0 0 32 53 1 0 0 0 0 33 36 2 0 0 0 0 33 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 M END $$$$