BM98PY -OEChem-04042104253D 56 58 0 0 0 0 0 0 0999 V2000 -6.0024 0.8217 -1.1403 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 -0.5301 -1.7075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 -2.9318 1.4498 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 2.1761 -0.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1012 0.5993 -2.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9764 2.6866 1.0999 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1915 1.2933 2.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 -0.0582 -0.2981 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2182 -1.5017 0.2267 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 0.9270 -0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3765 1.5276 1.3605 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6239 0.1013 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3803 -1.1568 1.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 0.6901 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 -2.1528 0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -0.3590 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 -0.1937 -0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 -0.3216 -1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 0.2093 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 0.7635 -1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 1.2810 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.9741 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 1.9422 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2286 -1.2833 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -0.2146 0.9993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -1.6963 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 0.4412 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5451 0.0283 -0.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -1.0405 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3191 -0.0740 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 0.8981 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -0.8541 2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3223 -1.6565 1.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.4862 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.1540 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 -2.5760 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -2.9857 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 0.1135 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.7493 -1.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 -1.3005 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 -0.3916 -2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -0.7377 1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 0.4920 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8086 0.4741 -2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 1.7093 -1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1352 2.2499 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0351 1.3718 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1463 2.0333 0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2966 2.9274 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4704 1.6567 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2148 0.1043 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5027 -2.5290 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 -1.3883 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2659 0.3688 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2754 -1.1186 -0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2154 0.0093 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 28 1 0 0 0 0 1 30 1 0 0 0 0 2 17 2 0 0 0 0 3 22 2 0 0 0 0 6 11 1 0 0 0 0 7 11 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 29 2 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M CHG 2 6 -1 11 1 M END $$$$