BQ5RA3 -OEChem-04012116362D 45 48 0 1 0 0 0 0 0999 V2000 4.4487 -2.2575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9852 2.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 3.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 4.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -5.3993 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1724 -4.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 0.5472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -1.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.3508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -4.4212 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5232 1.8051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5716 1.4977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5249 2.8051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5744 3.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2670 4.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -3.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4252 1.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 1.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 3.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9622 3.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 4.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 3.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 1.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9009 3.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4646 -0.2575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 5.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1797 0.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.0291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -1.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -0.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8548 -1.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 16 3 1 1 0 0 0 3 36 1 0 0 0 0 18 4 1 1 0 0 0 4 37 1 0 0 0 0 5 20 1 0 0 0 0 5 39 1 0 0 0 0 6 15 1 0 0 0 0 7 15 2 0 0 0 0 17 8 1 6 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 22 2 0 0 0 0 9 23 1 0 0 0 0 10 21 1 0 0 0 0 10 25 2 0 0 0 0 11 24 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 25 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 27 1 0 0 0 0 14 28 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 6 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 26 27 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 2 6 -1 15 1 M END $$$$