@MOLECULE http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446177 37 39 1 SMALL USER_CHARGES @ATOM 1 F1 9.1467 -4.8709 -2.8683 F 1 noname -0.1691 2 C1 8.0947 -4.6959 -2.0053 C.3 1 noname 0.4059 3 F2 7.2286 -5.7509 -2.1592 F 1 noname -0.1691 4 F3 7.4526 -3.5298 -2.3442 F 1 noname -0.1691 5 C2 8.6276 -4.6418 -0.5602 C.3 1 noname 0.0340 6 N1 7.5736 -4.5588 0.3927 N.3 1 noname -0.0120 7 N2 6.7635 -3.5537 0.4738 N.2 1 noname -0.3369 8 C3 7.2635 -5.4708 1.3308 C.2 1 noname 0.0017 9 C4 5.8824 -3.7547 1.4699 C.2 1 noname 0.0554 10 N3 7.8924 -6.6428 1.5248 N.3 1 noname -0.1241 11 C5 6.1574 -5.0047 2.0379 C.2 1 noname 0.0328 12 C6 4.9213 -2.7786 1.8139 C.2 1 noname -0.0221 13 C7 5.4773 -5.7207 3.0490 C.2 1 noname 0.0280 14 C8 4.2063 -2.1185 0.7919 C.2 1 noname -0.0141 15 C9 4.7072 -2.3906 3.1540 C.2 1 noname -0.0230 16 O1 5.9233 -6.8117 3.4680 O.2 1 noname -0.2922 17 N4 4.3143 -5.3216 3.5810 N.3 1 noname -0.0838 18 C10 3.2622 -1.1165 1.1000 C.2 1 noname -0.0315 19 C11 3.7702 -1.3945 3.4740 C.2 1 noname -0.0372 20 C12 3.0392 -0.7535 2.4561 C.2 1 noname -0.0280 21 C13 2.5381 -0.4695 0.0770 C.2 1 noname -0.0464 22 C14 2.0971 0.2495 2.7631 C.2 1 noname -0.0454 23 C15 1.6010 0.5275 0.3961 C.2 1 noname -0.0569 24 C16 1.3810 0.8866 1.7362 C.2 1 noname -0.0568 25 H1 9.2336 -5.5318 -0.3822 H 1 noname 0.0585 26 H2 9.2696 -3.7667 -0.4472 H 1 noname 0.0585 27 H3 7.5834 -7.2437 2.2229 H 1 noname 0.1256 28 H4 8.6494 -6.8887 0.9719 H 1 noname 0.1256 29 H5 4.3692 -2.3735 -0.1850 H 1 noname 0.0636 30 H6 5.2402 -2.8265 3.9090 H 1 noname 0.0629 31 H7 3.8812 -4.5136 3.2701 H 1 noname 0.1274 32 H8 3.8932 -5.8626 4.2651 H 1 noname 0.1274 33 H9 3.6301 -1.1374 4.4531 H 1 noname 0.0629 34 H10 2.6881 -0.7194 -0.9019 H 1 noname 0.0629 35 H11 1.9270 0.5216 3.7332 H 1 noname 0.0629 36 H12 1.0810 0.9936 -0.3478 H 1 noname 0.0622 37 H13 0.7000 1.6116 1.9632 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 25 1 7 5 26 1 8 6 7 1 9 6 8 1 10 7 9 2 11 8 10 1 12 8 11 2 13 9 12 1 14 9 11 1 15 10 27 1 16 10 28 1 17 11 13 1 18 12 14 2 19 12 15 1 20 13 16 2 21 13 17 1 22 14 18 1 23 14 29 1 24 15 19 2 25 15 30 1 26 17 31 1 27 17 32 1 28 18 20 1 29 18 21 2 30 19 20 1 31 19 33 1 32 20 22 2 33 21 23 1 34 21 34 1 35 22 24 1 36 22 35 1 37 23 24 2 38 23 36 1 39 24 37 1 @SUBSTRUCTURE 1 noname 1