@MOLECULE 76962929 33 34 1 SMALL USER_CHARGES @ATOM 1 S1 -0.9274 1.2124 -0.5115 S 1 noname -0.0675 2 F1 -0.9972 -2.5141 1.3783 F 1 noname -0.1660 3 F2 -0.5225 -1.0369 2.9923 F 1 noname -0.1660 4 F3 -1.7917 -0.4248 1.2524 F 1 noname -0.1660 5 F4 2.6532 5.1466 -1.8277 F 1 noname -0.2077 6 F5 3.2630 3.4988 -3.2152 F 1 noname -0.2077 7 O1 1.8614 1.6164 -1.6863 O.3 1 noname -0.2557 8 O2 -1.4990 1.9407 0.8096 O.2 1 noname -0.1897 9 O3 -0.6423 2.3243 -1.6426 O.2 1 noname -0.1897 10 N1 -2.2202 0.2444 -1.0518 N.3 1 noname 0.1202 11 N2 -3.4565 2.1498 -1.7194 N.3 1 noname 0.0225 12 N3 -4.5533 0.2845 -1.4435 N.2 1 noname -0.1900 13 N4 -4.6963 2.4432 -1.8938 N.2 1 noname -0.2800 14 C1 0.5185 0.2754 -0.0679 C.2 1 noname 0.0761 15 C2 0.4830 -0.7801 0.9086 C.2 1 noname 0.0664 16 C3 1.7526 0.6251 -0.7151 C.2 1 noname 0.0756 17 C4 1.6776 -1.4772 1.1967 C.2 1 noname -0.0147 18 C5 2.9074 -0.1090 -0.3908 C.2 1 noname -0.0046 19 C6 -0.7292 -1.1966 1.6464 C.3 1 noname 0.4177 20 C7 2.8655 -1.1463 0.5491 C.2 1 noname -0.0137 21 C8 -3.3499 0.8574 -1.4088 C.2 1 noname 0.0295 22 C9 2.2212 2.9110 -1.1686 C.3 1 noname 0.1142 23 C10 2.3107 3.9140 -2.3205 C.3 1 noname 0.2617 24 C11 -5.3826 1.3007 -1.7104 C.2 1 noname 0.0728 25 H1 1.7038 -2.2387 1.8860 H 1 noname 0.0629 26 H2 3.7840 0.1068 -0.8620 H 1 noname 0.0650 27 H3 -1.9175 -0.3238 -1.7773 H 1 noname 0.1536 28 H4 3.7046 -1.6585 0.7669 H 1 noname 0.0623 29 H5 1.4641 3.2411 -0.4574 H 1 noname 0.0632 30 H6 3.1870 2.8463 -0.6674 H 1 noname 0.0632 31 H7 1.3449 3.9787 -2.8218 H 1 noname 0.1061 32 H8 -2.7167 2.7606 -1.7829 H 1 noname 0.1782 33 H9 -6.4101 1.2098 -1.7433 H 1 noname 0.1079 @BOND 1 1 8 2 2 1 9 2 3 1 10 1 4 1 14 1 5 2 19 1 6 3 19 1 7 4 19 1 8 5 23 1 9 6 23 1 10 7 16 1 11 7 22 1 12 10 21 1 13 10 27 1 14 11 13 1 15 11 21 1 16 11 32 1 17 12 21 2 18 12 24 1 19 13 24 2 20 14 15 2 21 14 16 1 22 15 17 1 23 15 19 1 24 16 18 2 25 17 20 2 26 17 25 1 27 18 20 1 28 18 26 1 29 20 28 1 30 22 23 1 31 22 29 1 32 22 30 1 33 23 31 1 34 24 33 1 @SUBSTRUCTURE 1 noname 1