B1EK8X -OEChem-04022105042D 49 53 0 1 0 0 0 0 0999 V2000 8.6493 -1.5047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9116 2.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0642 1.6061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2649 -1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3073 -0.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9913 -2.4444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6832 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1133 2.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4081 -0.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7096 -1.8467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9436 -1.2040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 1.0252 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.6746 0.8564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0166 -0.0832 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6482 1.4747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3894 0.5088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6812 0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2317 -0.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0471 0.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7883 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4684 -0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2947 -1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 -1.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7626 -0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5890 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0039 -1.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -0.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 0.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6454 0.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5694 1.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0175 1.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8509 0.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5970 1.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0746 -0.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7697 -1.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 0.7747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2474 -2.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2877 0.2206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 -2.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1905 -1.8558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9941 0.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9495 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 1.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 7 12 1 0 0 0 0 8 12 2 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 27 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 30 33 2 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 2 7 -1 12 1 M END $$$$