B1SAG7 -OEChem-04022101302D 45 48 0 0 0 0 0 0 0999 V2000 8.1962 2.5178 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -2.5808 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 3.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6995 1.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 3.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 -3.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 -2.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 -0.5409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 3.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.9937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -2.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -2.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3913 -2.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 0.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -0.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 3.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 3.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.6608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 0.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -3.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -0.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 2.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8393 -3.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 16 1 0 0 0 0 2 31 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 44 1 0 0 0 0 8 32 1 0 0 0 0 8 45 1 0 0 0 0 9 32 2 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 18 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 19 20 1 0 0 0 0 19 23 2 0 0 0 0 21 33 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 26 1 0 0 0 0 23 36 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 39 1 0 0 0 0 26 40 1 0 0 0 0 27 29 1 0 0 0 0 27 32 1 0 0 0 0 28 30 2 0 0 0 0 28 41 1 0 0 0 0 29 31 2 0 0 0 0 29 42 1 0 0 0 0 30 31 1 0 0 0 0 30 43 1 0 0 0 0 M END $$$$