@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50447144 45 48 1 SMALL USER_CHARGES @ATOM 1 Cl1 10.0085 -30.2330 6.9629 Cl 1 noname -0.0727 2 C1 9.6805 -29.6829 5.3890 C.2 1 noname 0.0209 3 C2 9.0964 -28.4219 5.1110 C.2 1 noname 0.0185 4 C3 10.0154 -30.5419 4.3240 C.2 1 noname -0.0088 5 Cl2 8.6553 -27.3088 6.3161 Cl 1 noname -0.0732 6 C4 8.8603 -28.0508 3.7731 C.2 1 noname -0.0165 7 C5 9.7844 -30.1718 2.9831 C.2 1 noname -0.0337 8 C6 9.1983 -28.9168 2.7221 C.2 1 noname -0.0394 9 C7 10.1493 -31.1077 1.8831 C.3 1 noname 0.0659 10 N1 9.1002 -31.2817 0.9271 N.3 1 noname -0.1015 11 C8 11.3983 -30.6687 1.2021 C.2 1 noname -0.0052 12 C9 7.9112 -31.8686 1.1962 C.2 1 noname 0.0211 13 C10 12.6242 -31.3256 1.4562 C.2 1 noname 0.0467 14 C11 11.3872 -29.5886 0.2912 C.2 1 noname -0.0370 15 N2 7.6231 -32.3466 2.4342 N.2 1 noname -0.2780 16 C12 6.9551 -31.9916 0.1742 C.2 1 noname -0.0419 17 O1 12.6812 -32.3576 2.3303 O.3 1 noname -0.2729 18 C13 13.8072 -30.9106 0.8163 C.2 1 noname 0.0272 19 C14 12.5622 -29.1676 -0.3527 C.2 1 noname -0.0435 20 C15 6.4441 -32.9406 2.7413 C.2 1 noname -0.0104 21 C16 5.7190 -32.6046 0.4522 C.2 1 noname -0.0439 22 N3 14.9841 -31.5426 1.0673 N.2 1 noname -0.2331 23 C17 13.7781 -29.8245 -0.0946 C.2 1 noname 0.0274 24 C18 5.4600 -33.0835 1.7503 C.2 1 noname -0.0662 25 C19 4.7180 -32.7345 -0.6166 C.3 1 noname 0.0011 26 C20 16.1531 -31.1845 0.4803 C.2 1 noname -0.0161 27 C21 14.9811 -29.4375 -0.7156 C.2 1 noname -0.0389 28 C22 16.1771 -30.1165 -0.4305 C.2 1 noname -0.0264 29 H1 10.4374 -31.4528 4.5171 H 1 noname 0.0642 30 H2 8.4363 -27.1478 3.5511 H 1 noname 0.0638 31 H3 9.0082 -28.6317 1.7621 H 1 noname 0.0626 32 H4 10.3282 -32.0957 2.3172 H 1 noname 0.0572 33 H5 9.2602 -30.9827 0.0192 H 1 noname 0.1306 34 H6 10.5131 -29.1036 0.0882 H 1 noname 0.0627 35 H7 7.1541 -31.6386 -0.7627 H 1 noname 0.0658 36 H8 13.5801 -32.7366 2.4353 H 1 noname 0.2183 37 H9 12.5231 -28.3845 -1.0067 H 1 noname 0.0629 38 H10 6.2740 -33.2816 3.6883 H 1 noname 0.0839 39 H11 4.5709 -33.5315 1.9734 H 1 noname 0.0641 40 H12 3.8139 -33.2285 -0.2546 H 1 noname 0.0279 41 H13 4.4489 -31.7445 -0.9886 H 1 noname 0.0279 42 H14 5.1329 -33.3235 -1.4366 H 1 noname 0.0279 43 H15 17.0111 -31.6895 0.7014 H 1 noname 0.0839 44 H16 14.9940 -28.6595 -1.3775 H 1 noname 0.0630 45 H17 17.0500 -29.8384 -0.8775 H 1 noname 0.0638 @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 29 1 8 6 8 2 9 6 30 1 10 7 9 1 11 7 8 1 12 8 31 1 13 9 10 1 14 9 11 1 15 9 32 1 16 10 12 1 17 10 33 1 18 11 13 2 19 11 14 1 20 12 15 2 21 12 16 1 22 13 17 1 23 13 18 1 24 14 19 2 25 14 34 1 26 15 20 1 27 16 21 2 28 16 35 1 29 17 36 1 30 18 22 2 31 18 23 1 32 19 23 1 33 19 37 1 34 20 24 2 35 20 38 1 36 21 25 1 37 21 24 1 38 22 26 1 39 23 27 2 40 24 39 1 41 25 40 1 42 25 41 1 43 25 42 1 44 26 28 2 45 26 43 1 46 27 28 1 47 27 44 1 48 28 45 1 @SUBSTRUCTURE 1 noname 1