@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439056 30 31 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.8819 -8.0862 1.7733 Cl 1 noname -0.0706 2 C1 6.3278 -7.7112 0.9614 C.2 1 noname 0.0388 3 C2 7.5917 -8.2481 1.3284 C.2 1 noname 0.0484 4 C3 6.2298 -6.8272 -0.1304 C.2 1 noname -0.0144 5 C4 8.7447 -7.8781 0.5835 C.2 1 noname 0.0388 6 C5 7.7017 -9.1381 2.4164 C.2 1 noname 0.1027 7 C6 7.3717 -6.4712 -0.8614 C.2 1 noname -0.0236 8 Cl2 10.3086 -8.4390 0.9415 Cl 1 noname -0.0706 9 C7 8.6226 -6.9941 -0.5063 C.2 1 noname -0.0144 10 O1 7.8956 -10.3490 2.1655 O.2 1 noname -0.2737 11 N1 7.5887 -8.6350 3.6744 N.3 1 noname -0.1344 12 C8 7.6567 -9.2810 4.8734 C.2 1 noname -0.0072 13 C9 7.8746 -10.6659 5.0535 C.2 1 noname -0.0132 14 C10 7.4896 -8.4720 6.0135 C.2 1 noname -0.0371 15 C11 7.9206 -11.2019 6.3515 C.2 1 noname 0.0300 16 C12 7.5415 -9.0469 7.2915 C.2 1 noname -0.0011 17 N2 7.7525 -10.3788 7.4175 N.2 1 noname -0.2699 18 N3 8.1285 -12.5248 6.5185 N.3 1 noname -0.1102 19 C13 8.1845 -13.1397 7.7956 C.3 1 noname -0.0101 20 H1 5.3267 -6.4351 -0.4034 H 1 noname 0.0638 21 H2 7.2917 -5.8312 -1.6523 H 1 noname 0.0623 22 H3 9.4436 -6.7210 -1.0502 H 1 noname 0.0638 23 H4 7.4357 -7.6780 3.7225 H 1 noname 0.1374 24 H5 8.0016 -11.2878 4.2585 H 1 noname 0.0672 25 H6 7.3306 -7.4679 5.9175 H 1 noname 0.0655 26 H7 7.4215 -8.4669 8.1225 H 1 noname 0.0840 27 H8 8.2434 -13.0797 5.7316 H 1 noname 0.1292 28 H9 8.3624 -14.2076 7.6706 H 1 noname 0.0396 29 H10 8.9964 -12.7087 8.3826 H 1 noname 0.0396 30 H11 7.2395 -12.9947 8.3226 H 1 noname 0.0396 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 4 20 1 8 5 8 1 9 5 9 2 10 6 10 2 11 6 11 1 12 7 9 1 13 7 21 1 14 9 22 1 15 11 12 1 16 11 23 1 17 12 13 2 18 12 14 1 19 13 15 1 20 13 24 1 21 14 16 2 22 14 25 1 23 15 17 2 24 15 18 1 25 16 17 1 26 16 26 1 27 18 19 1 28 18 27 1 29 19 28 1 30 19 29 1 31 19 30 1 @SUBSTRUCTURE 1 noname 1