@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442779 39 42 1 SMALL USER_CHARGES @ATOM 1 F1 40.6484 -24.9050 -2.0008 F 1 noname -0.1660 2 C1 39.7403 -23.8970 -1.7498 C.3 1 noname 0.4176 3 F2 38.8433 -24.5150 -0.9208 F 1 noname -0.1660 4 F3 39.2233 -23.6570 -2.9947 F 1 noname -0.1660 5 C2 40.2843 -22.6421 -1.1278 C.2 1 noname 0.0021 6 C3 39.5312 -21.4581 -0.7627 C.2 1 noname 0.0195 7 C4 41.6842 -22.6670 -0.8857 C.2 1 noname -0.0245 8 N1 38.1353 -21.2251 -0.9267 N.3 1 noname 0.0727 9 C5 40.2762 -20.3871 -0.1647 C.2 1 noname -0.0231 10 C6 42.3681 -21.6010 -0.3047 C.2 1 noname -0.0637 11 C7 37.5243 -20.0280 -0.5226 C.2 1 noname 0.0437 12 C8 37.2533 -22.1120 -1.4876 C.2 1 noname -0.0342 13 C9 39.6592 -19.1870 0.2382 C.2 1 noname 0.0134 14 C10 41.6621 -20.4610 0.0572 C.2 1 noname -0.0447 15 N2 36.2242 -19.8100 -0.6736 N.2 1 noname -0.1410 16 C11 38.2922 -18.9940 0.0673 C.2 1 noname 0.0645 17 C12 36.5002 -22.9809 -0.6686 C.2 1 noname -0.0492 18 C13 36.9342 -22.0229 -2.8595 C.2 1 noname -0.0492 19 C14 35.5922 -18.7010 -0.3145 C.2 1 noname 0.1143 20 C15 37.6262 -17.8060 0.4564 C.2 1 noname 0.0817 21 C16 35.5122 -23.8088 -1.2255 C.2 1 noname -0.0643 22 C17 35.9452 -22.8508 -3.4175 C.2 1 noname -0.0643 23 O1 34.3622 -18.5870 -0.4985 O.2 1 noname -0.2481 24 N3 36.2911 -17.6910 0.2544 N.3 1 noname 0.1044 25 O2 38.2321 -16.8470 0.9844 O.2 1 noname -0.2831 26 C18 35.2342 -23.7558 -2.6054 C.2 1 noname -0.0720 27 C19 34.1982 -24.6327 -3.1734 C.3 1 noname -0.0055 28 H1 42.2431 -23.4819 -1.1327 H 1 noname 0.0629 29 H2 43.3740 -21.6579 -0.1467 H 1 noname 0.0623 30 H3 40.2141 -18.4390 0.6632 H 1 noname 0.0638 31 H4 42.1720 -19.6840 0.4852 H 1 noname 0.0629 32 H5 36.6772 -23.0129 0.3364 H 1 noname 0.0639 33 H6 37.4282 -21.3569 -3.4545 H 1 noname 0.0639 34 H7 34.9902 -24.4467 -0.6235 H 1 noname 0.0625 35 H8 35.7412 -22.7878 -4.4144 H 1 noname 0.0625 36 H9 35.8321 -16.8800 0.5184 H 1 noname 0.1424 37 H10 34.0941 -24.4747 -4.2483 H 1 noname 0.0279 38 H11 34.4671 -25.6746 -2.9973 H 1 noname 0.0279 39 H12 33.2401 -24.4237 -2.6943 H 1 noname 0.0279 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 6 9 1 9 7 10 2 10 7 28 1 11 8 11 1 12 8 12 1 13 9 13 1 14 9 14 2 15 10 14 1 16 10 29 1 17 11 15 2 18 11 16 1 19 12 17 2 20 12 18 1 21 13 16 2 22 13 30 1 23 14 31 1 24 15 19 1 25 16 20 1 26 17 21 1 27 17 32 1 28 18 22 2 29 18 33 1 30 19 23 2 31 19 24 1 32 20 25 2 33 20 24 1 34 21 26 2 35 21 34 1 36 22 26 1 37 22 35 1 38 24 36 1 39 26 27 1 40 27 37 1 41 27 38 1 42 27 39 1 @SUBSTRUCTURE 1 noname 1