BR28PO -OEChem-04022104553D 48 49 0 1 0 0 0 0 0999 V2000 1.3128 2.3940 1.2333 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 1.8665 2.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 3.4483 1.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 1.0692 -2.6543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0534 2.9669 -2.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7104 1.1554 1.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -2.0163 -0.7455 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2363 -3.3833 -0.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 2.8604 -0.2477 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1603 0.2852 0.0932 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 -2.2293 -0.4031 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6591 2.2636 -0.6861 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8248 3.1471 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1834 2.4467 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 1.0265 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6097 2.1691 -2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 1.2419 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4657 -0.9486 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6474 1.2392 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 -0.2650 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 -2.0483 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 0.1603 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.3439 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -1.1314 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 -2.8840 -0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 -2.2348 1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9143 -3.9062 -1.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 -3.2568 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 -4.0925 -0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 1.2464 -0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 3.4787 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 4.0586 -0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9685 3.1515 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 2.1575 -1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 3.7760 -0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5995 0.4414 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4489 -0.7781 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4933 -1.2257 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0745 2.2380 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.4533 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4711 0.3637 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 -2.3358 0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 1.0071 -3.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7066 -2.7478 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 -1.5929 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1366 -4.5565 -1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5456 -3.4012 1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 -4.8879 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 43 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 36 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 29 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$