BA3PK5 -OEChem-04022114033D 49 54 0 1 0 0 0 0 0999 V2000 -4.8779 0.7582 -1.2952 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8175 2.0087 0.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2945 -0.6685 1.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1726 1.5862 0.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7817 2.1799 -0.5161 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1020 0.3481 0.6506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -0.2493 -0.1773 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3398 -1.3482 0.0829 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 0.4751 0.2999 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 -2.5577 -0.7789 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2306 -3.0111 -0.6017 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3464 1.1434 0.0415 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.2241 -0.2954 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2582 0.2347 0.9954 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0420 2.0120 -0.6065 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7810 1.6290 0.6683 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6578 2.6479 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 0.8141 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -1.3156 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -0.8429 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -1.7431 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 -2.3529 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 0.0557 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 -1.7670 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2113 0.3097 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 -0.5621 0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -3.3348 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -0.2792 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 1.4609 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 0.8620 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.7309 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 -1.2023 -0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 0.2683 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6413 2.6580 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6374 2.3404 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 2.6998 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7938 3.6770 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8853 -1.5373 1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4538 2.4942 0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 -2.7512 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -3.1925 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 0.6805 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 0.3917 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 -2.5358 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1315 -1.4708 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 -4.3584 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0958 -0.9675 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 2.1563 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4572 2.6333 -1.1776 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 3 14 1 0 0 0 0 3 38 1 0 0 0 0 4 16 1 0 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 0 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 0 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 $$$$