@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50440162 37 39 1 SMALL USER_CHARGES @ATOM 1 S1 31.8960 -15.2246 1.5334 S.3 1 noname -0.1944 2 C1 31.2670 -16.7835 1.1045 C.2 1 noname 0.0696 3 C2 33.4000 -16.0065 1.8755 C.2 1 noname 0.0486 4 N1 32.1549 -17.7875 1.2236 N.2 1 noname -0.2157 5 C3 29.9390 -16.9715 0.6696 C.2 1 noname -0.0073 6 C4 33.3549 -17.3794 1.6556 C.2 1 noname 0.0323 7 C5 34.5819 -15.2695 2.3306 C.3 1 noname 0.0342 8 C6 29.4559 -18.2534 0.3227 C.2 1 noname 0.0256 9 C7 29.0619 -15.8685 0.5757 C.2 1 noname -0.0283 10 C8 34.4809 -18.2964 1.8536 C.3 1 noname 0.0447 11 C9 28.1289 -18.4294 -0.1072 C.2 1 noname 0.0336 12 C10 27.7349 -16.0424 0.1457 C.2 1 noname -0.0342 13 S2 34.9458 -18.3433 3.5956 S.3 1 noname -0.0320 14 F1 27.6958 -19.6163 -0.4241 F 1 noname -0.1646 15 C11 27.2679 -17.3223 -0.1961 C.2 1 noname 0.0059 16 C12 36.2828 -19.4443 3.6447 C.2 1 noname 0.0777 17 N2 36.7487 -20.0322 2.5167 N.2 1 noname -0.2615 18 N3 36.8757 -19.7242 4.8297 N.2 1 noname -0.2615 19 C13 37.7926 -20.8931 2.5458 C.2 1 noname 0.0379 20 C14 37.9226 -20.5782 4.9148 C.2 1 noname 0.0379 21 N4 38.2116 -21.4461 1.4008 N.3 1 noname -0.1151 22 C15 38.4206 -21.1981 3.7608 C.2 1 noname -0.0235 23 N5 38.4716 -20.8201 6.1119 N.3 1 noname -0.1151 24 H1 34.3458 -14.2064 2.3906 H 1 noname 0.0288 25 H2 34.8838 -15.6224 3.3166 H 1 noname 0.0288 26 H3 35.4008 -15.4144 1.6256 H 1 noname 0.0288 27 H4 30.0709 -19.0673 0.3827 H 1 noname 0.0660 28 H5 29.3779 -14.9284 0.8187 H 1 noname 0.0630 29 H6 35.3308 -17.9674 1.2547 H 1 noname 0.0451 30 H7 34.1918 -19.3003 1.5376 H 1 noname 0.0451 31 H8 27.1099 -15.2384 0.0818 H 1 noname 0.0623 32 H9 26.3038 -17.4432 -0.5081 H 1 noname 0.0653 33 H10 38.9575 -22.0660 1.4029 H 1 noname 0.1257 34 H11 37.7655 -21.2250 0.5689 H 1 noname 0.1257 35 H12 39.2095 -21.8440 3.8028 H 1 noname 0.0689 36 H13 38.1145 -20.3841 6.9009 H 1 noname 0.1257 37 H14 39.2215 -21.4291 6.1899 H 1 noname 0.1257 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 5 8 2 9 5 9 1 10 6 10 1 11 7 24 1 12 7 25 1 13 7 26 1 14 8 11 1 15 8 27 1 16 9 12 2 17 9 28 1 18 10 13 1 19 10 29 1 20 10 30 1 21 11 14 1 22 11 15 2 23 12 15 1 24 12 31 1 25 13 16 1 26 15 32 1 27 16 17 2 28 16 18 1 29 17 19 1 30 18 20 2 31 19 21 1 32 19 22 2 33 20 23 1 34 20 22 1 35 21 33 1 36 21 34 1 37 22 35 1 38 23 36 1 39 23 37 1 @SUBSTRUCTURE 1 noname 1