B1PYU6 -OEChem-04012120152D 59 60 0 1 0 0 0 0 0999 V2000 5.2195 3.7704 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 0.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 3.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 4.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 0.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0768 -2.8166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 1.1834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5143 2.8148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 -1.3166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2108 -4.3166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0768 -5.8166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9428 -4.3166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 2.5923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1127 3.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 3.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7362 2.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5137 1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 1.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6127 0.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 4.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4787 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 4.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -1.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6551 5.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 4.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3448 -2.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6802 6.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 4.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2108 -3.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0768 -4.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0508 2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 3.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5541 3.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6713 3.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9748 3.9786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2948 2.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1228 3.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 1.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1337 1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 2.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0021 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4007 -0.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 4.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9557 5.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9418 -1.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9553 -1.9242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0768 6.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7342 -2.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1327 -3.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 6.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 3.9834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 5.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6137 -6.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5399 -6.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4798 -4.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9428 -3.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 18 2 0 0 0 0 5 21 2 0 0 0 0 6 30 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 13 8 1 1 0 0 0 8 41 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 46 1 0 0 0 0 10 30 1 0 0 0 0 10 31 2 0 0 0 0 11 31 1 0 0 0 0 11 56 1 0 0 0 0 11 57 1 0 0 0 0 12 31 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 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 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 28 2 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$