BW35GD -OEChem-04012116142D 55 58 0 0 0 0 0 0 0999 V2000 8.1962 3.3959 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -1.7027 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.4026 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6660 0.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 3.8993 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6995 2.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 4.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 0.3372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 4.4064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4357 -3.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 3.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -1.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8436 -2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7038 -3.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6922 -4.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5756 -2.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5524 -4.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4242 -4.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 1.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 0.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 4.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 4.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 0.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -1.4765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 0.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -2.3027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 -2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6248 -3.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1518 -4.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5827 -2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5453 -5.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9575 -4.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 16 1 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 10 15 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 35 1 0 0 0 0 11 37 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 15 16 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 20 1 0 0 0 0 18 23 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 30 1 0 0 0 0 27 46 1 0 0 0 0 28 31 2 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 34 52 1 0 0 0 0 35 53 1 0 0 0 0 36 37 1 0 0 0 0 36 54 1 0 0 0 0 37 55 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$