@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444104 61 66 1 SMALL USER_CHARGES @ATOM 1 F1 26.9321 -24.0827 8.7747 F 1 noname -0.1631 2 C1 25.8960 -23.6266 8.1277 C.2 1 noname 0.0429 3 C2 26.0599 -22.6435 7.1378 C.2 1 noname 0.0072 4 C3 24.6119 -24.1156 8.4198 C.2 1 noname 0.0072 5 C4 24.9429 -22.1534 6.4398 C.2 1 noname 0.0053 6 C5 23.4958 -23.6245 7.7208 C.2 1 noname 0.0053 7 C6 23.6438 -22.6374 6.7188 C.2 1 noname -0.0132 8 C7 22.5227 -22.1394 6.0139 C.2 1 noname 0.0831 9 O1 22.5927 -21.0133 5.4659 O.2 1 noname -0.2778 10 N1 21.3946 -22.8953 5.9059 N.3 1 noname -0.1369 11 C8 20.2505 -22.5593 5.2549 C.2 1 noname 0.0006 12 C9 19.5895 -23.5803 4.5389 C.2 1 noname 0.0294 13 C10 19.6815 -21.2612 5.3090 C.2 1 noname -0.0151 14 C11 18.3914 -23.2722 3.8760 C.2 1 noname 0.0597 15 C12 18.4754 -20.9681 4.6380 C.2 1 noname 0.0054 16 O2 17.5843 -24.0482 3.1290 O.3 1 noname -0.3284 17 C13 17.8473 -21.9981 3.9230 C.2 1 noname 0.0475 18 C14 16.5592 -23.2471 2.7280 C.2 1 noname 0.1227 19 N2 16.7142 -21.9941 3.2110 N.2 1 noname -0.1851 20 C15 15.4891 -23.6911 1.9161 C.2 1 noname 0.0080 21 C16 14.4261 -22.8550 1.5071 C.2 1 noname 0.0684 22 C17 15.4601 -25.0331 1.4771 C.2 1 noname 0.0166 23 N3 13.4390 -23.3520 0.7261 N.2 1 noname -0.2529 24 N4 14.3250 -21.5619 1.8502 N.3 1 noname -0.1095 25 C18 14.4230 -25.5401 0.6621 C.2 1 noname -0.0273 26 C19 13.4029 -24.6370 0.2991 C.2 1 noname 0.0296 27 C20 14.4120 -26.8921 0.2272 C.2 1 noname 0.0130 28 C21 13.4919 -27.5281 -0.6037 C.2 1 noname 0.0297 29 C22 15.3220 -27.9021 0.5252 C.2 1 noname -0.0662 30 N5 13.8499 -28.8101 -0.7737 N.2 1 noname -0.2932 31 N6 14.9369 -29.0261 -0.1007 N.3 1 noname -0.0213 32 C23 15.6179 -30.2751 -0.0446 C.3 1 noname -0.0220 33 C24 14.6918 -31.3691 0.5164 C.3 1 noname -0.0199 34 C25 16.0999 -30.6831 -1.4476 C.3 1 noname -0.0199 35 C26 15.4128 -32.7241 0.5004 C.3 1 noname -0.0030 36 C27 16.7719 -32.0631 -1.3876 C.3 1 noname -0.0030 37 N7 15.8298 -33.0661 -0.8685 N.3 1 noname -0.3165 38 H1 26.9909 -22.2825 6.9218 H 1 noname 0.0653 39 H2 24.4858 -24.8276 9.1409 H 1 noname 0.0653 40 H3 25.0838 -21.4404 5.7228 H 1 noname 0.0631 41 H4 22.5717 -23.9915 7.9539 H 1 noname 0.0631 42 H5 21.4286 -23.7833 6.2920 H 1 noname 0.1374 43 H6 19.9724 -24.5252 4.4950 H 1 noname 0.0667 44 H7 20.1425 -20.5231 5.8430 H 1 noname 0.0640 45 H8 18.0693 -20.0330 4.6750 H 1 noname 0.0646 46 H9 16.2191 -25.6561 1.7601 H 1 noname 0.0638 47 H10 13.5699 -21.0399 1.5382 H 1 noname 0.1258 48 H11 15.0020 -21.1499 2.4082 H 1 noname 0.1258 49 H12 12.6229 -24.9330 -0.2877 H 1 noname 0.0846 50 H13 12.6708 -27.0950 -1.0257 H 1 noname 0.0863 51 H14 16.1480 -27.8121 1.1173 H 1 noname 0.0816 52 H15 16.4909 -30.1991 0.6073 H 1 noname 0.0527 53 H16 14.4118 -31.1190 1.5404 H 1 noname 0.0299 54 H17 13.7897 -31.4361 -0.0935 H 1 noname 0.0299 55 H18 15.2508 -30.7271 -2.1316 H 1 noname 0.0299 56 H19 16.8158 -29.9470 -1.8146 H 1 noname 0.0299 57 H20 16.2848 -32.6851 1.1554 H 1 noname 0.0428 58 H21 14.7327 -33.4941 0.8664 H 1 noname 0.0428 59 H22 17.6539 -32.0141 -0.7475 H 1 noname 0.0428 60 H23 17.0798 -32.3521 -2.3926 H 1 noname 0.0428 61 H24 16.3358 -33.9521 -0.8155 H 1 noname 0.1222 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 38 1 6 4 6 2 7 4 39 1 8 5 7 2 9 5 40 1 10 6 7 1 11 6 41 1 12 7 8 1 13 8 9 2 14 8 10 1 15 10 11 1 16 10 42 1 17 11 12 2 18 11 13 1 19 12 14 1 20 12 43 1 21 13 15 2 22 13 44 1 23 14 16 1 24 14 17 2 25 15 17 1 26 15 45 1 27 16 18 1 28 17 19 1 29 18 20 1 30 18 19 2 31 20 21 2 32 20 22 1 33 21 23 1 34 21 24 1 35 22 25 2 36 22 46 1 37 23 26 2 38 24 47 1 39 24 48 1 40 25 27 1 41 25 26 1 42 26 49 1 43 27 28 1 44 27 29 2 45 28 30 2 46 28 50 1 47 29 31 1 48 29 51 1 49 30 31 1 50 31 32 1 51 32 33 1 52 32 34 1 53 32 52 1 54 33 35 1 55 33 53 1 56 33 54 1 57 34 36 1 58 34 55 1 59 34 56 1 60 35 37 1 61 35 57 1 62 35 58 1 63 36 37 1 64 36 59 1 65 36 60 1 66 37 61 1 @SUBSTRUCTURE 1 noname 1