@MOLECULE 136504 55 60 1 SMALL USER_CHARGES @ATOM 1 F1 1.4230 -0.4226 6.9738 F 1 noname -0.1578 2 C1 1.9021 0.3340 6.0301 C.2 1 noname 0.0652 3 C2 3.1348 1.0475 6.2076 C.2 1 noname 0.0404 4 C3 1.2212 0.4798 4.7908 C.2 1 noname 0.0262 5 C4 3.7306 1.1378 7.4852 C.2 1 noname 0.0921 6 C5 3.7370 1.8309 5.1725 C.2 1 noname 0.0010 7 C6 1.7768 1.3204 3.7623 C.2 1 noname -0.0041 8 N1 4.9780 1.5656 7.7578 N.2 1 noname -0.2705 9 N2 3.0878 0.9677 8.6513 N.2 1 noname -0.1846 10 C7 3.0446 1.9704 3.9505 C.2 1 noname -0.0277 11 C8 1.0861 1.5315 2.5182 C.2 1 noname 0.0614 12 N3 5.0939 1.6956 9.0355 N.3 1 noname -0.0026 13 C9 3.9398 1.3358 9.6157 C.2 1 noname -0.0102 14 C10 1.4920 2.2416 1.3985 C.2 1 noname 0.0214 15 C11 -0.1814 1.0773 2.1224 C.2 1 noname 0.0444 16 N4 2.6498 2.9075 1.1564 N.2 1 noname -0.1906 17 N5 0.5444 2.2185 0.4400 N.3 1 noname -0.0574 18 N6 -0.4539 1.5171 0.8782 N.2 1 noname -0.2970 19 C12 2.8737 3.5630 -0.0256 C.2 1 noname 0.0803 20 C13 0.6675 2.8408 -0.7719 C.2 1 noname -0.0349 21 N7 4.0995 4.1738 -0.1523 N.3 1 noname -0.0678 22 C14 1.8685 3.5529 -1.0463 C.2 1 noname 0.0219 23 C15 4.8372 4.6431 0.9771 C.2 1 noname 0.1412 24 C16 4.9135 4.2367 -1.3194 C.3 1 noname 0.0798 25 O1 4.4162 5.3118 1.9456 O.2 1 noname -0.2290 26 O2 6.1601 4.1756 0.7475 O.3 1 noname -0.1844 27 C17 4.8176 5.5141 -2.0557 C.2 1 noname 0.0431 28 C18 6.2863 3.9243 -0.6639 C.3 1 noname 0.0787 29 C19 4.3335 5.5233 -3.3979 C.2 1 noname 0.0454 30 C20 5.1246 6.7843 -1.4832 C.2 1 noname -0.0139 31 O3 4.0328 4.4587 -3.9799 O.2 1 noname -0.2911 32 N8 4.2062 6.7439 -4.0369 N.3 1 noname 0.0118 33 C21 4.9946 8.0393 -2.1434 C.2 1 noname -0.0472 34 C22 4.5181 7.9534 -3.4617 C.2 1 noname -0.0879 35 C23 3.7260 6.7479 -5.3626 C.3 1 noname 0.0077 36 C24 2.2005 6.8649 -5.3521 C.3 1 noname -0.0515 37 H1 0.2813 -0.0484 4.6307 H 1 noname 0.0660 38 H2 4.7049 2.3123 5.3122 H 1 noname 0.0631 39 H3 3.4854 2.5754 3.1582 H 1 noname 0.0629 40 H4 5.9325 2.0190 9.4961 H 1 noname 0.1766 41 H5 3.7306 1.3416 10.6855 H 1 noname 0.1028 42 H6 -0.8661 0.4622 2.7062 H 1 noname 0.0864 43 H7 -0.1533 2.7723 -1.4859 H 1 noname 0.0815 44 H8 2.0121 4.0679 -1.9962 H 1 noname 0.0670 45 H9 4.5739 3.5749 -2.1162 H 1 noname 0.0554 46 H10 6.4795 2.8560 -0.7612 H 1 noname 0.0594 47 H11 7.0159 4.6458 -1.0319 H 1 noname 0.0594 48 H12 5.4888 6.7970 -0.4559 H 1 noname 0.0628 49 H13 5.2409 8.9925 -1.6756 H 1 noname 0.0633 50 H14 4.3860 8.8558 -4.0586 H 1 noname 0.0756 51 H15 4.1330 7.6525 -5.8142 H 1 noname 0.0437 52 H16 3.9890 5.7707 -5.7676 H 1 noname 0.0437 53 H17 1.8453 6.8921 -4.3219 H 1 noname 0.0244 54 H18 1.9028 7.7803 -5.8634 H 1 noname 0.0244 55 H19 1.7666 6.0056 -5.8634 H 1 noname 0.0244 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 2 14 11 14 2 15 11 15 1 16 12 13 1 17 14 16 1 18 14 17 1 19 15 18 2 20 16 19 2 21 17 20 1 22 17 18 1 23 19 21 1 24 19 22 1 25 20 22 2 26 21 23 1 27 24 21 1 28 23 25 2 29 23 26 1 30 24 27 1 31 24 28 1 32 26 28 1 33 27 29 1 34 27 30 2 35 29 31 2 36 29 32 1 37 30 33 1 38 32 34 1 39 32 35 1 40 33 34 2 41 35 36 1 42 4 37 1 43 6 38 1 44 10 39 1 45 12 40 1 46 13 41 1 47 15 42 1 48 20 43 1 49 22 44 1 50 24 45 1 51 28 46 1 52 28 47 1 53 30 48 1 54 33 49 1 55 34 50 1 56 35 51 1 57 35 52 1 58 36 53 1 59 36 54 1 60 36 55 1 @SUBSTRUCTURE 1 noname 1