Mrv1652304292205092D 21 23 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 2 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 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 6 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 M RAD 1 13 2 M END > NP0082106 > NP-MRD > CN1[C@H](C[N](C)=C1N)C1=C(NC2=CC=C(Br)C=C12)C(O)=O > InChI=1S/C14H16BrN4O2/c1-18-6-10(19(2)14(18)16)11-8-5-7(15)3-4-9(8)17-12(11)13(20)21/h3-5,10,17H,6,16H2,1-2H3,(H,20,21)/t10-/m1/s1 > FGBKQFJBRPURLW-SNVBAGLBSA-N > C14H16BrN4O2 > 352.212 > 351.045664 > 0 > 37 > 32.07479257499675 > 1 > 0 > 0 > 0 > 3-[(4S)-2-amino-1,3-dimethyl-4,5-dihydro-3H-1lambda5-imidazol-4-yl]-5-bromo-1H-indole-2-carboxylic acid > 0.88 > -2.86 > 0 > 3 > 101.56000000000002 > 94.67830000000001 > 2 > 0 > 4.90e-01 g/l > 3-[(4S)-2-amino-1,3-dimethyl-4,5-dihydro-1lambda5-imidazol-4-yl]-5-bromo-1H-indole-2-carboxylic acid > 0 > NP0082106 > (+)-Trachycladindole B $$$$