Mrv1652304292205092D 22 24 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3687 -0.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -1.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -1.0091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5683 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -2.0486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.8085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 2.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 12 16 1 0 0 0 0 11 17 1 0 0 0 0 8 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 2 21 1 0 0 0 0 1 22 1 0 0 0 0 M RAD 1 13 2 M END > NP0082108 > NP-MRD > CN1[C@@H](C[N](C)=C1N)C1=C(NC2=CC(O)=C(Br)C=C12)C(O)=O > InChI=1S/C14H16BrN4O3/c1-18-5-9(19(2)14(18)16)11-6-3-7(15)10(20)4-8(6)17-12(11)13(21)22/h3-4,9,17,20H,5,16H2,1-2H3,(H,21,22)/t9-/m0/s1 > YPNLERXZICSKHO-VIFPVBQESA-N > C14H16BrN4O3 > 368.211 > 367.040578 > 0 > 38 > 33.11263460676856 > 1 > 0 > 0 > 0 > 3-[(4R)-2-amino-1,3-dimethyl-4,5-dihydro-3H-1lambda5-imidazol-4-yl]-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid > 0.80 > -2.70 > 0 > 3 > 121.79000000000002 > 96.65919999999998 > 2 > 0 > 7.41e-01 g/l > 3-[(4R)-2-amino-1,3-dimethyl-4,5-dihydro-1lambda5-imidazol-4-yl]-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid > 0 > NP0082108 > (+)-Trachycladindole D $$$$