@MOLECULE 71308187 55 58 1 SMALL USER_CHARGES @ATOM 1 F1 5.2523 -4.6857 3.7801 F 1 noname -0.2509 2 O1 -0.2128 3.9452 -0.7504 O.2 1 noname -0.2946 3 N1 1.4354 -0.0071 -0.2207 N.3 1 noname -0.0316 4 C1 2.3094 -1.1324 -0.2174 C.3 1 noname -0.0544 5 C2 0.0906 0.0115 -0.0419 C.2 1 noname -0.0741 6 C3 2.7030 -1.4760 1.2223 C.3 1 noname -0.0369 7 C4 -0.3647 1.3296 -0.0452 C.2 1 noname -0.0142 8 C5 0.7680 2.1208 -0.2096 C.2 1 noname 0.0023 9 C6 1.8440 1.2615 -0.3856 C.2 1 noname -0.0601 10 C7 3.6124 -2.6934 1.1514 C.3 1 noname -0.0493 11 C8 0.8046 3.5110 -0.1787 C.2 1 noname 0.0708 12 C9 1.8377 4.3227 0.4180 C.2 1 noname -0.0133 13 C10 3.9947 -3.0925 2.5727 C.3 1 noname -0.0245 14 C11 -0.8194 -1.0336 0.1109 C.2 1 noname -0.0416 15 C12 1.8412 5.7573 0.3603 C.2 1 noname -0.0089 16 C13 -1.7338 1.6526 0.0886 C.2 1 noname -0.0344 17 C14 2.9567 6.5000 0.9120 C.2 1 noname -0.0337 18 C15 4.0779 5.7999 1.4965 C.2 1 noname -0.0247 19 C16 2.9143 3.6933 1.1039 C.2 1 noname -0.0155 20 C17 -2.1913 -0.7333 0.2706 C.2 1 noname -0.0508 21 C18 -2.6473 0.6027 0.2467 C.2 1 noname -0.0532 22 C19 4.0410 4.3891 1.5512 C.2 1 noname -0.0470 23 C20 5.3452 6.3199 2.1460 C.3 1 noname 0.0104 24 C21 4.9021 -4.3195 2.5077 C.3 1 noname 0.0895 25 C22 0.7513 6.5166 -0.2041 C.2 1 noname -0.0379 26 C23 2.8682 7.9156 0.8725 C.2 1 noname -0.0463 27 C24 0.7190 7.9084 -0.2246 C.2 1 noname -0.0556 28 C25 1.7849 8.6161 0.3190 C.2 1 noname -0.0566 29 C26 5.7770 7.7916 2.3672 C.3 1 noname -0.0613 30 H1 1.8044 -1.9859 -0.6696 H 1 noname 0.0472 31 H2 3.2427 -0.9079 -0.7338 H 1 noname 0.0472 32 H3 1.8087 -1.7233 1.7943 H 1 noname 0.0283 33 H4 3.2137 -0.6495 1.7164 H 1 noname 0.0283 34 H5 2.8101 1.5569 -0.5592 H 1 noname 0.0799 35 H6 3.0811 -3.5164 0.6734 H 1 noname 0.0268 36 H7 4.5152 -2.4863 0.5769 H 1 noname 0.0268 37 H8 3.0942 -3.3361 3.1364 H 1 noname 0.0293 38 H9 4.5170 -2.2859 3.0871 H 1 noname 0.0293 39 H10 -0.4907 -1.9917 0.0907 H 1 noname 0.0642 40 H11 -2.0812 2.6202 0.0536 H 1 noname 0.0629 41 H12 2.9333 2.6831 1.3156 H 1 noname 0.0630 42 H13 -2.8495 -1.4920 0.4123 H 1 noname 0.0623 43 H14 -3.6390 0.8126 0.3522 H 1 noname 0.0622 44 H15 4.8149 3.8233 1.9177 H 1 noname 0.0625 45 H16 5.5574 5.7400 3.0442 H 1 noname 0.0313 46 H17 6.1150 5.9114 1.4913 H 1 noname 0.0313 47 H18 4.3696 -5.1401 2.0270 H 1 noname 0.0623 48 H19 5.8009 -4.0798 1.9396 H 1 noname 0.0623 49 H20 -0.0989 6.1277 -0.6139 H 1 noname 0.0629 50 H21 3.5987 8.5210 1.2483 H 1 noname 0.0629 51 H22 -0.0777 8.4208 -0.6309 H 1 noname 0.0622 52 H23 1.7898 9.6407 0.3102 H 1 noname 0.0622 53 H24 6.7468 7.8149 2.8642 H 1 noname 0.0234 54 H25 5.0381 8.2976 2.9885 H 1 noname 0.0234 55 H26 5.8499 8.2975 1.4045 H 1 noname 0.0234 @BOND 1 1 24 1 2 2 11 2 3 3 4 1 4 3 5 1 5 3 9 1 6 4 6 1 7 4 30 1 8 4 31 1 9 5 7 1 10 5 14 2 11 6 10 1 12 6 32 1 13 6 33 1 14 7 8 1 15 7 16 2 16 8 9 2 17 8 11 1 18 9 34 1 19 10 13 1 20 10 35 1 21 10 36 1 22 11 12 1 23 12 15 1 24 12 19 2 25 13 24 1 26 13 37 1 27 13 38 1 28 14 20 1 29 14 39 1 30 15 17 1 31 15 25 2 32 16 21 1 33 16 40 1 34 17 18 1 35 17 26 2 36 18 22 2 37 18 23 1 38 19 22 1 39 19 41 1 40 20 21 2 41 20 42 1 42 21 43 1 43 22 44 1 44 23 29 1 45 23 45 1 46 23 46 1 47 24 47 1 48 24 48 1 49 25 27 1 50 25 49 1 51 26 28 1 52 26 50 1 53 27 28 2 54 27 51 1 55 28 52 1 56 29 53 1 57 29 54 1 58 29 55 1 @SUBSTRUCTURE 1 noname 1