BTS87P -OEChem-04012119062D 58 63 0 0 0 0 0 0 0999 V2000 8.4290 -0.4068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 -0.5017 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2441 -0.7335 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.5804 -0.0949 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.5590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -1.5016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.1963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2337 0.9871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 -0.0017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7496 -1.7041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7714 -1.4962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8264 -1.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4087 -2.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4142 -2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8319 -1.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2331 -0.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0688 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8154 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2276 -0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9965 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9348 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2496 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6669 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1620 -2.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2746 -1.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0028 -2.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8687 -0.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4673 0.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6703 0.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4320 -1.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4798 0.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4949 -3.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3609 -3.4531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4981 -2.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 0.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 2 33 1 0 0 0 0 3 31 1 0 0 0 0 3 38 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 37 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 23 1 0 0 0 0 9 27 2 0 0 0 0 10 37 1 0 0 0 0 10 39 1 0 0 0 0 10 58 1 0 0 0 0 11 12 1 0 0 0 0 11 38 2 0 0 0 0 12 39 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 21 2 0 0 0 0 14 17 1 0 0 0 0 14 22 2 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 29 36 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 35 1 0 0 0 0 32 50 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 35 2 0 0 0 0 34 53 1 0 0 0 0 35 54 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 M END $$$$