@MOLECULE 51 53 1 SMALL USER_CHARGES @ATOM 1 C1 7.4936 -0.8981 3.5942 C.3 1 noname -0.0406 2 C2 6.6857 -1.6186 2.0222 C.3 1 noname 0.0871 3 C3 7.0323 -3.4053 1.9129 C.2 1 noname 0.1435 4 O1 8.5126 -3.7907 1.7550 O.2 1 noname -0.2680 5 N1 5.8073 -4.5780 1.9746 N.3 1 noname -0.1187 6 C4 4.1745 -4.0829 2.0440 C.2 1 noname 0.0039 7 C5 2.8351 -5.1872 2.1392 C.2 1 noname 0.0324 8 N2 1.2705 -4.6490 2.1310 N.2 1 noname -0.2551 9 C6 0.8868 -3.0390 2.0482 C.2 1 noname 0.0814 10 N3 2.1400 -1.9581 1.9786 N.2 1 noname -0.2306 11 C7 3.7541 -2.3946 1.9867 C.2 1 noname 0.0623 12 N4 4.9550 -1.1973 1.9212 N.3 1 noname -0.0796 13 C8 4.5105 0.5185 1.7177 C.3 1 noname 0.0056 14 C9 3.6804 1.2780 3.2601 C.3 1 noname -0.0376 15 C10 3.9901 3.1473 3.5158 C.3 1 noname -0.0459 16 C11 3.3574 4.2054 2.0669 C.3 1 noname -0.0627 17 C12 3.2562 3.7231 5.1735 C.3 1 noname -0.0627 18 N5 -0.6763 -2.4540 1.9779 N.3 1 noname 0.0315 19 C13 -2.1106 -3.3151 2.0914 C.2 1 noname -0.0119 20 C14 -3.4776 -2.6962 1.2307 C.2 1 noname 0.0018 21 C15 -4.9847 -3.5363 1.2382 C.2 1 noname 0.0590 22 C16 -5.1565 -5.0007 2.1349 C.2 1 noname 0.0707 23 C17 -3.8157 -5.6044 3.0394 C.2 1 noname 0.0590 24 C18 -2.3103 -4.7675 3.0158 C.2 1 noname 0.0018 25 F1 -3.9504 -6.9392 3.9104 F 1 noname -0.1529 26 O2 -6.6120 -5.8071 2.1109 O.3 1 noname -0.2618 27 F2 -6.2170 -2.9484 0.4057 F 1 noname -0.1529 28 C19 6.2296 -6.3065 1.9300 C.3 1 noname -0.0004 29 H1 7.8247 -1.7125 4.2385 H 1 noname 0.0251 30 H2 8.3503 -0.2851 3.3142 H 1 noname 0.0251 31 H3 6.7671 -0.2851 4.1277 H 1 noname 0.0251 32 H4 7.0752 -1.1829 1.1021 H 1 noname 0.0565 33 H5 2.9829 -6.2650 2.2071 H 1 noname 0.0858 34 H6 5.4606 1.0338 1.5768 H 1 noname 0.0435 35 H7 3.7676 0.5173 0.9201 H 1 noname 0.0435 36 H8 2.6080 1.1797 3.0920 H 1 noname 0.0282 37 H9 4.1457 0.7852 4.1138 H 1 noname 0.0282 38 H10 5.0691 3.2989 3.5461 H 1 noname 0.0297 39 H11 3.0078 3.5534 1.2664 H 1 noname 0.0233 40 H12 2.5353 4.8345 2.4082 H 1 noname 0.0233 41 H13 4.1665 4.8345 1.6959 H 1 noname 0.0233 42 H14 2.9901 2.8536 5.7746 H 1 noname 0.0233 43 H15 3.9928 4.3228 5.7082 H 1 noname 0.0233 44 H16 2.3652 4.3228 4.9876 H 1 noname 0.0233 45 H17 -0.7652 -1.4560 1.8510 H 1 noname 0.1373 46 H18 -3.3879 -1.7627 0.6752 H 1 noname 0.0671 47 H19 -1.4738 -5.1619 3.5929 H 1 noname 0.0671 48 H20 -6.9033 -5.9684 3.0113 H 1 noname 0.2184 49 H21 6.3219 -6.6843 2.9483 H 1 noname 0.0403 50 H22 5.4482 -6.8581 1.4073 H 1 noname 0.0403 51 H23 7.1773 -6.4356 1.4073 H 1 noname 0.0403 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 2 7 7 8 1 8 8 9 2 9 9 10 1 10 10 11 2 11 6 11 1 12 11 12 1 13 2 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 15 17 1 19 9 18 1 20 18 19 1 21 19 20 2 22 20 21 1 23 21 22 2 24 22 23 1 25 23 24 2 26 19 24 1 27 23 25 1 28 22 26 1 29 21 27 1 30 5 28 1 31 1 29 1 32 1 30 1 33 1 31 1 34 2 32 1 35 7 33 1 36 13 34 1 37 13 35 1 38 14 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 16 41 1 44 17 42 1 45 17 43 1 46 17 44 1 47 18 45 1 48 20 46 1 49 24 47 1 50 26 48 1 51 28 49 1 52 28 50 1 53 28 51 1 @SUBSTRUCTURE 1 noname 1