@MOLECULE 58507717 49 52 1 SMALL USER_CHARGES @ATOM 1 F1 1.6788 2.8729 -4.7445 F 1 noname -0.1661 2 F2 -0.1427 4.1500 -4.9269 F 1 noname -0.1661 3 F3 -0.3154 2.0733 -4.8877 F 1 noname -0.1661 4 O1 7.5021 2.8407 -4.4824 O.3 1 noname -0.3786 5 O2 8.0978 2.0536 -10.1035 O.3 1 noname -0.3786 6 N1 4.9763 2.2893 -5.3141 N.3 1 noname -0.0537 7 N2 5.4298 1.6464 -9.8245 N.3 1 noname -0.0537 8 N3 5.1274 1.7061 -7.5640 N.2 1 noname -0.2254 9 N4 3.2614 1.9459 -8.9879 N.2 1 noname -0.2380 10 N5 3.0959 2.3383 -6.7397 N.2 1 noname -0.2380 11 N6 -0.8919 2.8053 -9.4428 N.2 1 noname -0.2550 12 N7 -3.0053 3.3578 -8.6072 N.3 1 noname -0.1162 13 C1 5.1100 3.6574 -4.8865 C.3 1 noname 0.0296 14 C2 5.5425 1.2147 -4.5270 C.3 1 noname 0.0296 15 C3 5.7357 2.9423 -10.3856 C.3 1 noname 0.0296 16 C4 6.1310 0.4146 -10.0910 C.3 1 noname 0.0296 17 C5 6.9475 1.6046 -3.9264 C.3 1 noname 0.0600 18 C6 6.6383 3.9751 -4.8199 C.3 1 noname 0.0600 19 C7 7.6203 0.7048 -10.4225 C.3 1 noname 0.0600 20 C8 7.2142 3.2175 -10.0125 C.3 1 noname 0.0600 21 C9 4.3913 2.0728 -6.5168 C.2 1 noname 0.0982 22 C10 4.5874 1.6894 -8.8049 C.2 1 noname 0.0982 23 C11 2.4687 2.2746 -7.9267 C.2 1 noname 0.0822 24 C12 1.0683 2.5753 -8.0053 C.2 1 noname 0.0113 25 C13 0.2288 2.9053 -6.8778 C.2 1 noname 0.0422 26 C14 0.4307 2.5461 -9.2820 C.2 1 noname 0.0398 27 C15 -1.1500 3.1665 -7.1074 C.2 1 noname 0.0083 28 C16 0.5023 3.0413 -5.4111 C.3 1 noname 0.4169 29 C17 -1.6976 3.1110 -8.4014 C.2 1 noname 0.0466 30 H1 4.6713 3.7727 -3.8953 H 1 noname 0.0459 31 H2 4.6405 4.3508 -5.5842 H 1 noname 0.0459 32 H3 4.8595 0.9588 -3.7170 H 1 noname 0.0459 33 H4 5.6057 0.3418 -5.1767 H 1 noname 0.0459 34 H5 5.0983 3.6972 -9.9252 H 1 noname 0.0459 35 H6 5.6856 2.8829 -11.4728 H 1 noname 0.0459 36 H7 6.0731 -0.2330 -9.2161 H 1 noname 0.0459 37 H8 5.6751 -0.1206 -10.9239 H 1 noname 0.0459 38 H9 6.8104 4.7859 -4.1120 H 1 noname 0.0580 39 H10 6.9702 4.3189 -5.7995 H 1 noname 0.0580 40 H11 6.8665 1.6977 -2.8434 H 1 noname 0.0580 41 H12 7.6515 0.7857 -4.0746 H 1 noname 0.0580 42 H13 7.2636 3.6335 -9.0063 H 1 noname 0.0580 43 H14 7.6029 4.0155 -10.6452 H 1 noname 0.0580 44 H15 8.2530 -0.0314 -9.9268 H 1 noname 0.0580 45 H16 7.6989 0.6175 -11.5062 H 1 noname 0.0580 46 H17 0.9488 2.3244 -10.1462 H 1 noname 0.0847 47 H18 -1.8184 3.4072 -6.3413 H 1 noname 0.0662 48 H19 -3.2050 3.2754 -9.5528 H 1 noname 0.1257 49 H20 -3.5375 2.7192 -8.1075 H 1 noname 0.1257 @BOND 1 1 28 1 2 2 28 1 3 3 28 1 4 4 17 1 5 4 18 1 6 5 19 1 7 5 20 1 8 6 13 1 9 6 14 1 10 6 21 1 11 7 15 1 12 7 16 1 13 7 22 1 14 8 21 2 15 8 22 1 16 9 22 2 17 9 23 1 18 10 21 1 19 10 23 2 20 11 26 1 21 11 29 2 22 12 29 1 23 12 48 1 24 12 49 1 25 13 18 1 26 13 30 1 27 13 31 1 28 14 17 1 29 14 32 1 30 14 33 1 31 15 20 1 32 15 34 1 33 15 35 1 34 16 19 1 35 16 36 1 36 16 37 1 37 17 40 1 38 17 41 1 39 18 38 1 40 18 39 1 41 19 44 1 42 19 45 1 43 20 42 1 44 20 43 1 45 23 24 1 46 24 25 1 47 24 26 2 48 25 27 2 49 25 28 1 50 26 46 1 51 27 29 1 52 27 47 1 @SUBSTRUCTURE 1 noname 1