B8HQ4L -OEChem-04012120042D 42 45 0 0 0 0 0 0 0999 V2000 2.7144 3.5788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -2.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4055 -0.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.2233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.5280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9032 -1.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -1.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -1.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -2.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 1.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5453 -0.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0035 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 -1.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -2.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 -3.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 -2.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2127 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6488 2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 1.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7505 2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5385 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4615 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 2.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -3.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5810 -0.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8177 0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 0.4993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 1 0 0 0 0 2 39 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 18 23 2 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$