L4WQV5 -OEChem-05022322322D 42 45 0 0 0 0 0 0 0999 V2000 4.7320 1.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2622 -1.1800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 0.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2622 1.8200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 1.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4531 -1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 -1.7678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7622 -2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2622 -0.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 1.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 1.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5022 -0.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 2.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9798 3.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 3.1192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 2.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8900 1.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 0.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2608 0.8710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 -1.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6376 -2.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3812 -1.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 -2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8270 -3.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6974 -3.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3686 -2.8477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 2.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -0.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 1.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5311 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6842 2.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 3 20 1 0 0 0 0 4 16 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$