B89ANM -OEChem-04012118372D 43 47 0 0 0 0 0 0 0999 V2000 4.2249 2.4603 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -0.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 0.8572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8701 1.5153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 -1.2839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1025 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -2.1512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 0.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9746 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 1.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 1.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5727 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5727 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5189 0.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -1.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 -0.1223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 0.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -2.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 -2.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 -0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 -0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -2.8420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -3.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 -1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 -2.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3139 -1.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9587 0.6524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 1.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3037 -1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7801 2.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 -2.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7115 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7115 -1.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 36 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 43 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$