@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3783 30 33 1 SMALL USER_CHARGES @ATOM 1 Cl1 4.2899 -2.6797 1.5179 Cl 1 noname -0.0837 2 C1 3.4148 -1.9616 0.2599 C.2 1 noname -0.0143 3 C2 2.5948 -0.8466 0.5159 C.2 1 noname -0.0241 4 C3 3.4998 -2.4806 -1.0450 C.2 1 noname -0.0486 5 C4 1.8667 -0.2355 -0.5289 C.2 1 noname -0.0211 6 C5 2.7647 -1.8885 -2.0860 C.2 1 noname -0.0526 7 N1 1.0426 0.8275 -0.3339 N.3 1 noname 0.0132 8 C6 1.9486 -0.7745 -1.8259 C.2 1 noname -0.0536 9 C7 1.3006 1.9175 0.4311 C.2 1 noname 0.0802 10 N2 2.4695 2.0926 1.1071 N.2 1 noname -0.2115 11 C8 0.3255 2.9206 0.5251 C.2 1 noname 0.0290 12 C9 2.7195 3.1886 1.8672 C.2 1 noname 0.0684 13 S1 -1.2305 2.9267 -0.2428 S.3 1 noname -0.1820 14 C10 0.6035 4.0367 1.3151 C.2 1 noname 0.0809 15 N3 1.7804 4.1617 1.9712 N.2 1 noname -0.2223 16 C11 -1.5135 4.4607 0.5172 C.2 1 noname 0.0833 17 C12 -0.4605 4.9257 1.3102 C.2 1 noname 0.0748 18 N4 -2.6466 5.1948 0.3912 N.2 1 noname -0.2134 19 C13 -0.5785 6.1568 1.9773 C.2 1 noname -0.0032 20 C14 -2.7986 6.3909 1.0203 C.2 1 noname 0.0087 21 C15 -1.7646 6.8989 1.8303 C.2 1 noname -0.0162 22 H1 2.5207 -0.4775 1.4660 H 1 noname 0.0655 23 H2 4.0898 -3.2895 -1.2450 H 1 noname 0.0638 24 H3 2.8227 -2.2694 -3.0309 H 1 noname 0.0623 25 H4 0.2046 0.8255 -0.8229 H 1 noname 0.1357 26 H5 1.4166 -0.3544 -2.5889 H 1 noname 0.0639 27 H6 3.6085 3.2797 2.3593 H 1 noname 0.1062 28 H7 0.1813 6.5089 2.5613 H 1 noname 0.0631 29 H8 -3.6637 6.9189 0.9063 H 1 noname 0.0839 30 H9 -1.8746 7.7949 2.3054 H 1 noname 0.0639 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 22 1 6 4 6 2 7 4 23 1 8 5 7 1 9 5 8 2 10 6 8 1 11 6 24 1 12 7 9 1 13 7 25 1 14 8 26 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 27 1 22 13 16 1 23 14 17 1 24 14 15 1 25 16 18 1 26 16 17 2 27 17 19 1 28 18 20 2 29 19 21 2 30 19 28 1 31 20 21 1 32 20 29 1 33 21 30 1 @SUBSTRUCTURE 1 noname 1