B6MXL1 -OEChem-04012117272D 48 50 0 0 0 0 0 0 0999 V2000 11.1402 0.2306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -3.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0177 -2.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -0.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5222 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8312 -0.7204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4190 -1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0122 -2.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 2.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.3435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 0.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.4384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9330 -1.8762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8496 -1.0835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3478 -3.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 20 1 0 0 0 0 2 16 1 0 0 0 0 2 45 1 0 0 0 0 3 14 2 0 0 0 0 4 22 1 0 0 0 0 4 46 1 0 0 0 0 5 27 1 0 0 0 0 5 47 1 0 0 0 0 6 29 1 0 0 0 0 6 48 1 0 0 0 0 7 29 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 19 2 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 17 24 2 0 0 0 0 17 35 1 0 0 0 0 18 25 1 0 0 0 0 18 36 1 0 0 0 0 19 26 1 0 0 0 0 19 37 1 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$