-ISIS- 08251614012D 35 39 0 0 0 0 0 0 0 0999 V2000 0.1333 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2583 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0375 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0500 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -4.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -3.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9208 3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7875 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 12 1 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 21 2 0 0 0 0 14 7 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 18 10 1 0 0 0 0 19 5 2 0 0 0 0 20 7 2 0 0 0 0 21 20 1 0 0 0 0 22 17 2 0 0 0 0 23 18 2 0 0 0 0 24 18 1 0 0 0 0 25 15 1 0 0 0 0 26 23 1 0 0 0 0 27 24 2 0 0 0 0 28 27 1 0 0 0 0 29 8 2 0 0 0 0 30 11 2 0 0 0 0 31 17 1 0 0 0 0 32 28 1 0 0 0 0 33 25 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 15 13 1 0 0 0 0 35 34 2 0 0 0 0 26 28 2 0 0 0 0 M END > (STK327101) STK327101 > (STK327101) 4 > (STK327101) 3.665 > (STK327101) 76.66 > (STK327101) 2 > (STK327101) 4 > (STK327101) 5 > (STK327101) 2-methoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate > (STK327101) 468.55 > (STK327101) C29H28N2O4 > (STK327101) COc1cc(ccc1OC(=O)C)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C $$$$