BA3PK5 -OEChem-04022100562D 49 54 0 1 0 0 0 0 0999 V2000 8.9254 4.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 2.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3021 1.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9270 3.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 -4.7926 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3274 1.8280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5761 -1.0505 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8782 1.1228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 0.2768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3337 -1.2097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -3.7963 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4032 2.8441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8021 2.3353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6620 3.8100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0609 3.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6433 3.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3426 2.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4632 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4803 -0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7541 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -2.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -0.9082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5898 -2.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7678 -1.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -0.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 -2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 -3.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 -3.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4036 1.8603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 4.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5528 2.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7658 4.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 3.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9221 1.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9270 4.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1903 -0.0405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3959 0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 -2.6452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1113 -1.9900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 -0.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7798 -1.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -1.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0339 -3.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -4.5839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 14 3 1 1 0 0 0 3 38 1 0 0 0 0 16 4 1 1 0 0 0 4 39 1 0 0 0 0 5 12 1 0 0 0 0 6 12 2 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 18 2 0 0 0 0 9 20 1 0 0 0 0 10 19 1 0 0 0 0 10 27 2 0 0 0 0 11 21 2 0 0 0 0 11 27 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 1 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 6 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 2 5 -1 12 1 M END $$$$