D05JHJ MDL 03130711592D 1 1.00000 0.00000 0 49 52 0 1 0 999 V2000 4.1667 -4.2542 0.0000 N 0 0 3 0 0 0 0 0 0 3.4542 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 3.4667 -3.5500 0.0000 C 0 0 2 0 0 0 0 0 0 4.1792 -3.5542 0.0000 C 0 0 1 0 0 0 0 0 0 4.7917 -4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0.2667 -3.5292 0.0000 N 0 0 0 0 0 0 0 0 0 2.8417 -3.2000 0.0000 N 0 0 0 0 0 0 0 0 0 2.2167 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 -3.2000 0.0000 S 0 0 0 0 0 0 0 0 0 1.6042 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0.0417 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -1.4417 0.0000 C 0 0 1 0 0 0 0 0 0 5.4167 -4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 1.1917 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0.6167 -4.6042 0.0000 S 0 0 0 0 0 0 0 0 0 8.5042 -3.1750 0.0000 N 0 0 0 0 0 0 0 0 0 1.6042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 4.7917 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -4.2292 0.0000 N 0 0 3 0 0 0 0 0 0 2.8542 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 9.1292 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 7.8917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0.9792 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 5.4167 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 2.9542 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0.3667 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 9.1417 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 6.0417 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 2.2292 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0.3792 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 6.6542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 1.6042 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 4.1917 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 2.8542 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 8.5167 -4.5792 0.0000 C 0 0 0 0 0 0 0 0 0 1.0042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6458 -4.4042 0.0000 N 0 0 0 0 0 0 0 0 0 7.2792 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 9.7542 -3.1667 0.0000 N 0 0 0 0 0 0 0 0 0 5.4292 -5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 3.4667 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2583 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2333 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 4.9667 -0.7542 0.0000 Na 0 3 0 0 0 0 0 0 0 4.1792 -2.8500 0.0000 H 0 0 0 0 0 0 0 0 0 3.4667 -2.8500 0.0000 H 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 4 1 1 0 0 0 5 1 1 0 0 0 6 7 1 0 0 0 7 10 1 0 0 0 8 6 1 0 0 0 9 3 1 0 0 0 10 9 1 0 0 0 11 4 1 0 0 0 12 7 2 0 0 0 13 8 2 0 0 0 14 17 1 0 0 0 15 5 2 0 0 0 16 6 2 0 0 0 17 12 1 0 0 0 18 16 1 0 0 0 19 25 2 0 0 0 20 14 1 0 0 0 21 5 1 0 0 0 22 41 1 0 0 0 14 23 1 1 0 0 24 30 2 0 0 0 25 22 1 0 0 0 26 20 2 0 0 0 27 15 1 0 0 0 28 2 2 0 0 0 29 26 1 0 0 0 30 38 1 0 0 0 31 15 1 0 0 0 32 10 2 0 0 0 33 39 1 0 0 0 34 31 2 0 0 0 35 20 1 0 0 0 36 21 2 0 0 0 37 23 2 0 0 0 38 22 2 0 0 0 39 35 2 0 0 0 40 13 1 0 0 0 41 34 1 0 0 0 42 24 1 0 0 0 43 21 1 0 0 0 44 23 1 0 0 0 45 29 1 0 0 0 46 33 1 0 0 0 4 48 1 6 0 0 3 49 1 6 0 0 2 3 1 0 0 0 27 11 1 0 0 0 18 13 1 0 0 0 24 19 1 0 0 0 29 33 2 0 0 0 M CHG 1 47 1 M END $$$$