@MOLECULE DB01137 46 49 1 SMALL USER_CHARGES @ATOM 1 F1 2.0133 3.3372 -1.3236 F 1 noname -0.1642 2 C1 1.3378 2.3133 -0.8901 C.2 1 noname 0.0043 3 C2 2.0190 1.0603 -0.6844 C.2 1 noname 0.0611 4 C3 -0.0234 2.4578 -0.6374 C.2 1 noname 0.0201 5 N1 3.3972 1.0349 -0.9325 N.3 1 noname -0.1014 6 C4 1.2816 -0.1026 -0.2511 C.2 1 noname 0.0138 7 C5 -0.7277 1.3163 -0.2102 C.2 1 noname -0.0245 8 C6 3.9527 0.0543 -1.8610 C.3 1 noname 0.0161 9 C7 4.3287 2.0193 -0.3788 C.3 1 noname 0.0161 10 O1 1.8948 -1.3135 0.0488 O.3 1 noname -0.2644 11 C8 -0.1265 0.0251 -0.0557 C.2 1 noname 0.0350 12 C9 -2.0983 1.4795 0.0537 C.2 1 noname 0.1018 13 C10 5.1295 0.5808 -2.7746 C.3 1 noname 0.0112 14 C11 5.0063 2.8462 -1.5065 C.3 1 noname 0.0112 15 C12 1.1229 -2.5029 -0.2316 C.3 1 noname 0.0696 16 N2 -0.9100 -1.0856 0.2549 N.3 1 noname -0.0084 17 O2 -2.6259 2.6059 -0.0701 O.2 1 noname -0.2871 18 C13 -2.8811 0.3786 0.4573 C.2 1 noname 0.1047 19 N3 5.3146 2.0767 -2.7653 N.3 1 noname -0.3037 20 C14 -0.3471 -2.4416 0.2787 C.3 1 noname 0.0401 21 C15 -2.2530 -0.8841 0.5513 C.2 1 noname -0.0263 22 C16 -4.2305 0.5305 0.7541 C.2 1 noname 0.1210 23 C17 6.6659 2.4033 -3.2176 C.3 1 noname -0.0132 24 C18 -1.0517 -3.5110 -0.5939 C.3 1 noname -0.0465 25 O3 -4.9072 -0.4583 1.1103 O.2 1 noname -0.2524 26 O4 -4.8102 1.7459 0.6577 O.3 1 noname -0.2143 27 H1 -0.5156 3.4215 -0.7681 H 1 noname 0.0662 28 H2 4.3716 -0.7143 -1.2115 H 1 noname 0.0448 29 H3 3.1184 -0.1849 -2.5204 H 1 noname 0.0448 30 H4 3.7121 2.7039 0.2037 H 1 noname 0.0448 31 H5 5.1073 1.4353 0.1119 H 1 noname 0.0448 32 H6 6.0525 0.1851 -2.3509 H 1 noname 0.0443 33 H7 4.8553 0.3423 -3.8023 H 1 noname 0.0443 34 H8 4.2795 3.6004 -1.8085 H 1 noname 0.0443 35 H9 5.9780 3.1507 -1.1176 H 1 noname 0.0443 36 H10 1.0845 -2.5492 -1.3200 H 1 noname 0.0588 37 H11 1.6264 -3.2899 0.3299 H 1 noname 0.0588 38 H12 -0.5006 -2.6122 1.3443 H 1 noname 0.0496 39 H13 -2.8356 -1.7487 0.8693 H 1 noname 0.0765 40 H14 7.3108 2.5592 -2.3528 H 1 noname 0.0394 41 H15 7.0564 1.5821 -3.8186 H 1 noname 0.0394 42 H16 6.6381 3.3122 -3.8186 H 1 noname 0.0394 43 H17 -1.5353 -4.2450 0.0508 H 1 noname 0.0247 44 H18 -1.8009 -3.0306 -1.2231 H 1 noname 0.0247 45 H19 -0.3146 -4.0098 -1.2231 H 1 noname 0.0247 46 H20 -4.9755 2.0923 1.5376 H 1 noname 0.2216 @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 1 8 5 9 1 9 6 10 1 10 6 11 2 11 7 12 1 12 7 11 1 13 8 13 1 14 9 14 1 15 10 15 1 16 11 16 1 17 12 17 2 18 12 18 1 19 13 19 1 20 14 19 1 21 15 20 1 22 16 21 1 23 16 20 1 24 18 22 1 25 18 21 2 26 19 23 1 27 20 24 1 28 22 25 2 29 22 26 1 30 4 27 1 31 8 28 1 32 8 29 1 33 9 30 1 34 9 31 1 35 13 32 1 36 13 33 1 37 14 34 1 38 14 35 1 39 15 36 1 40 15 37 1 41 20 38 1 42 21 39 1 43 23 40 1 44 23 41 1 45 23 42 1 46 24 43 1 47 24 44 1 48 24 45 1 49 26 46 1 @SUBSTRUCTURE 1 noname 1