BL2D6R -OEChem-04012113452D 50 53 0 1 0 0 0 0 0999 V2000 9.1087 3.0342 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9747 -2.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9863 3.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 -0.2368 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5814 1.9100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 0.7107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 2.6787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6087 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2937 0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6087 1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 2.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 2.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6342 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 2.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9932 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3142 -1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9032 0.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6361 1.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 3.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 1.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 3.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 1.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 2.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6547 -3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1782 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0215 -0.5035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7273 0.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8713 0.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 -0.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1151 -1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7701 -1.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9268 -2.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4902 0.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 2.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 3.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 3.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 1.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 3.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 3.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 1.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0673 -3.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4563 -4.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -3.8317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 2 28 1 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 10 1 0 0 0 0 6 19 2 0 0 0 0 7 12 2 0 0 0 0 7 20 1 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 15 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END $$$$