@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3263 28 30 1 SMALL USER_CHARGES @ATOM 1 Cl1 -3.2570 8.8196 6.1681 Cl 1 noname -0.0837 2 C1 -2.3140 7.8867 5.1181 C.2 1 noname -0.0144 3 C2 -2.9170 6.9017 4.3132 C.2 1 noname -0.0245 4 C3 -0.9231 8.0887 5.0492 C.2 1 noname -0.0490 5 C4 -2.1411 6.1258 3.4242 C.2 1 noname -0.0212 6 C5 -0.1421 7.3078 4.1812 C.2 1 noname -0.0527 7 N1 -2.6641 5.1459 2.6413 N.3 1 noname 0.0062 8 C6 -0.7481 6.3278 3.3783 C.2 1 noname -0.0539 9 C7 -3.8151 5.2069 1.9143 C.2 1 noname 0.0452 10 N2 -4.5762 6.3329 1.9094 N.2 1 noname -0.2334 11 C8 -4.2271 4.1010 1.1394 C.2 1 noname -0.0070 12 C9 -5.7212 6.4399 1.1984 C.2 1 noname 0.0494 13 C10 -5.4312 4.2380 0.4025 C.2 1 noname 0.0518 14 C11 -3.5102 2.8860 1.0665 C.2 1 noname -0.0209 15 N3 -6.1362 5.3920 0.4535 N.2 1 noname -0.2441 16 C12 -5.9012 3.1751 -0.3894 C.2 1 noname -0.0084 17 C13 -3.9862 1.8281 0.2735 C.2 1 noname -0.0521 18 C14 -5.1802 1.9721 -0.4533 C.2 1 noname -0.0368 19 H1 -3.9240 6.7428 4.3732 H 1 noname 0.0655 20 H2 -0.4721 8.7988 5.6282 H 1 noname 0.0638 21 H3 0.8667 7.4518 4.1362 H 1 noname 0.0623 22 H4 -2.1381 4.3369 2.5583 H 1 noname 0.1357 23 H5 -0.1702 5.7639 2.7533 H 1 noname 0.0639 24 H6 -6.2652 7.3030 1.2245 H 1 noname 0.1062 25 H7 -2.6422 2.7611 1.5875 H 1 noname 0.0630 26 H8 -6.7682 3.2761 -0.9193 H 1 noname 0.0645 27 H9 -3.4643 0.9522 0.2256 H 1 noname 0.0622 28 H10 -5.5223 1.2022 -1.0293 H 1 noname 0.0623 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 19 1 6 4 6 2 7 4 20 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 21 1 12 7 9 1 13 7 22 1 14 8 23 1 15 9 10 2 16 9 11 1 17 10 12 1 18 11 13 1 19 11 14 2 20 12 15 2 21 12 24 1 22 13 16 2 23 13 15 1 24 14 17 1 25 14 25 1 26 16 18 1 27 16 26 1 28 17 18 2 29 17 27 1 30 18 28 1 @SUBSTRUCTURE 1 noname 1