@MOLECULE DB01208 50 53 1 SMALL USER_CHARGES @ATOM 1 F1 -0.1615 1.5692 1.8354 F 1 noname -0.1629 2 C1 0.5732 0.7484 1.1432 C.2 1 noname -0.0013 3 C2 1.8644 1.1607 0.6360 C.2 1 noname 0.0784 4 C3 0.1252 -0.5710 0.8693 C.2 1 noname 0.0383 5 N1 2.3755 2.4408 0.8753 N.3 1 noname -0.0960 6 C4 2.6644 0.2416 -0.1421 C.2 1 noname 0.0080 7 N2 -1.0523 -1.0975 1.3508 N.3 1 noname 0.0580 8 C5 0.9683 -1.4254 0.0571 C.2 1 noname -0.0306 9 C6 2.5766 2.9417 2.2420 C.3 1 noname 0.0185 10 C7 2.8879 3.2713 -0.1987 C.3 1 noname 0.0185 11 F2 3.8328 0.6286 -0.5634 F 1 noname -0.1593 12 C8 2.2257 -1.0530 -0.4592 C.2 1 noname 0.0497 13 C9 -1.4696 -2.3778 1.0960 C.2 1 noname 0.0011 14 C10 -1.8734 -0.2749 2.1492 C.3 1 noname -0.0154 15 C11 0.5419 -2.7466 -0.2273 C.2 1 noname 0.0991 16 C12 3.8938 3.7634 2.4846 C.3 1 noname 0.0174 17 C13 4.4363 3.4483 -0.0476 C.3 1 noname 0.0174 18 N3 2.9594 -1.8865 -1.2091 N.3 1 noname -0.1296 19 C14 -0.6792 -3.2397 0.2884 C.2 1 noname 0.1027 20 C15 -1.4818 -0.4369 3.6193 C.3 1 noname -0.0457 21 C16 -2.7228 -1.1476 3.0754 C.3 1 noname -0.0457 22 O1 1.2534 -3.4847 -0.9424 O.2 1 noname -0.2876 23 N4 4.8893 3.6532 1.3592 N.3 1 noname -0.3091 24 C17 3.5423 5.2349 2.7122 C.3 1 noname -0.0485 25 C18 4.9018 4.6236 -0.9095 C.3 1 noname -0.0485 26 C19 -1.0963 -4.5365 0.0119 C.2 1 noname 0.1176 27 O2 -1.8005 -5.1561 0.8383 O.2 1 noname -0.2535 28 O3 -0.7410 -5.1268 -1.1490 O.3 1 noname -0.2151 29 H1 1.7452 3.6293 2.3963 H 1 noname 0.0450 30 H2 2.6554 2.0376 2.8457 H 1 noname 0.0450 31 H3 2.7015 2.7073 -1.1126 H 1 noname 0.0450 32 H4 2.4224 4.2465 -0.0556 H 1 noname 0.0450 33 H5 -2.4149 -2.7054 1.5287 H 1 noname 0.0635 34 H6 -2.0332 0.5424 1.4459 H 1 noname 0.0352 35 H7 4.4070 3.3520 3.3538 H 1 noname 0.0475 36 H8 4.9219 2.5209 -0.3511 H 1 noname 0.0475 37 H9 2.5794 -2.7786 -1.4918 H 1 noname 0.1244 38 H10 3.8925 -1.6227 -1.4918 H 1 noname 0.1244 39 H11 -0.6186 -1.0743 3.8104 H 1 noname 0.0273 40 H12 -1.6736 0.4263 4.2567 H 1 noname 0.0273 41 H13 -3.6802 -0.7229 3.3772 H 1 noname 0.0273 42 H14 -2.6251 -2.2235 2.9309 H 1 noname 0.0273 43 H15 5.8787 3.7178 1.5514 H 1 noname 0.1228 44 H16 3.4943 5.4357 3.7825 H 1 noname 0.0247 45 H17 4.3066 5.8655 2.2582 H 1 noname 0.0247 46 H18 2.5754 5.4519 2.2582 H 1 noname 0.0247 47 H19 5.2255 5.4410 -0.2651 H 1 noname 0.0247 48 H20 5.7332 4.3059 -1.5387 H 1 noname 0.0247 49 H21 4.0783 4.9613 -1.5387 H 1 noname 0.0247 50 H22 -0.7726 -6.0807 -1.0457 H 1 noname 0.2216 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 2 8 5 9 1 9 5 10 1 10 6 11 1 11 6 12 2 12 7 13 1 13 7 14 1 14 8 15 1 15 8 12 1 16 9 16 1 17 10 17 1 18 12 18 1 19 13 19 2 20 14 20 1 21 14 21 1 22 15 22 2 23 15 19 1 24 16 23 1 25 16 24 1 26 17 25 1 27 17 23 1 28 19 26 1 29 20 21 1 30 26 27 2 31 26 28 1 32 9 29 1 33 9 30 1 34 10 31 1 35 10 32 1 36 13 33 1 37 14 34 1 38 16 35 1 39 17 36 1 40 18 37 1 41 18 38 1 42 20 39 1 43 20 40 1 44 21 41 1 45 21 42 1 46 23 43 1 47 24 44 1 48 24 45 1 49 24 46 1 50 25 47 1 51 25 48 1 52 25 49 1 53 28 50 1 @SUBSTRUCTURE 1 noname 1