@MOLECULE DB01674 45 47 1 SMALL USER_CHARGES @ATOM 1 F1 -4.1210 1.1487 -1.9057 F 1 noname -0.1608 2 C1 -3.4284 0.0468 -1.9303 C.2 1 noname 0.0431 3 C2 -2.0921 -0.0115 -1.4346 C.2 1 noname 0.0101 4 C3 -4.0138 -1.1373 -2.4530 C.2 1 noname 0.0018 5 C4 -1.3733 -1.2196 -1.4595 C.2 1 noname -0.0756 6 C5 -1.2447 0.9508 -0.8946 C.2 1 noname -0.0168 7 C6 -3.2808 -2.3580 -2.4803 C.2 1 noname -0.0335 8 N1 -0.1490 -1.0144 -0.9431 N.3 1 noname -0.0808 9 C7 -1.9483 -2.4076 -1.9805 C.2 1 noname -0.0445 10 C8 -0.0445 0.2884 -0.5968 C.2 1 noname -0.1171 11 C9 -1.5151 2.4099 -0.7834 C.3 1 noname 0.0851 12 C10 -1.9696 2.9447 0.5242 C.2 1 noname 0.0431 13 N2 -3.2256 3.2955 0.8377 N.2 1 noname -0.2169 14 C11 -1.2161 3.2106 1.6524 C.2 1 noname -0.0183 15 C12 -3.2963 3.7080 2.1221 C.2 1 noname -0.0397 16 O1 0.1165 2.9795 1.7073 O.3 1 noname -0.2664 17 N3 -2.0264 3.7031 2.6247 N.3 1 noname -0.0150 18 C13 -4.6881 4.0467 2.5602 C.3 1 noname 0.0873 19 C14 -1.5431 3.9556 3.9339 C.3 1 noname 0.1057 20 N4 -5.6242 2.9382 2.1960 N.3 1 noname -0.3194 21 C15 -5.0831 4.7202 3.8867 C.3 1 noname 0.0734 22 C16 -1.9462 5.1208 4.6502 C.2 1 noname 0.1442 23 O2 -6.3056 5.4533 3.6897 O.3 1 noname -0.3912 24 C17 -5.3280 3.7568 5.0761 C.3 1 noname -0.0370 25 O3 -2.4131 4.8370 5.7438 O.2 1 noname -0.2493 26 O4 -1.8270 6.3804 4.1793 O.3 1 noname -0.2137 27 H1 -5.0338 -1.1088 -2.8363 H 1 noname 0.0653 28 H2 -3.7417 -3.2588 -2.8856 H 1 noname 0.0624 29 H3 0.5680 -1.7173 -0.8341 H 1 noname 0.1522 30 H4 -1.3794 -3.3372 -1.9964 H 1 noname 0.0642 31 H5 0.8501 0.7276 -0.1553 H 1 noname 0.0792 32 H6 -0.5515 2.8878 -0.9598 H 1 noname 0.0384 33 H7 -2.3471 2.5934 -1.4633 H 1 noname 0.0384 34 H8 0.3953 2.9311 2.6246 H 1 noname 0.2197 35 H9 -4.7588 4.9473 1.9502 H 1 noname 0.0571 36 H10 -1.9301 3.1261 4.5257 H 1 noname 0.0582 37 H11 -0.4678 4.0764 3.8026 H 1 noname 0.0582 38 H12 -6.6085 3.1283 2.0731 H 1 noname 0.1191 39 H13 -5.2719 1.9996 2.0731 H 1 noname 0.1191 40 H14 -4.2723 5.4035 4.1393 H 1 noname 0.0618 41 H15 -6.6837 5.6800 4.5424 H 1 noname 0.2105 42 H16 -5.2566 2.7259 4.7294 H 1 noname 0.0257 43 H17 -4.5781 3.9335 5.8472 H 1 noname 0.0257 44 H18 -6.3215 3.9335 5.4882 H 1 noname 0.0257 45 H19 -1.7690 6.9933 4.9160 H 1 noname 0.2213 @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 2 9 6 10 2 10 6 11 1 11 7 9 1 12 8 10 1 13 11 12 1 14 12 13 1 15 12 14 2 16 13 15 2 17 14 16 1 18 14 17 1 19 15 18 1 20 15 17 1 21 17 19 1 22 18 20 1 23 18 21 1 24 19 22 1 25 21 23 1 26 21 24 1 27 22 25 2 28 22 26 1 29 4 27 1 30 7 28 1 31 8 29 1 32 9 30 1 33 10 31 1 34 11 32 1 35 11 33 1 36 16 34 1 37 18 35 1 38 19 36 1 39 19 37 1 40 20 38 1 41 20 39 1 42 21 40 1 43 23 41 1 44 24 42 1 45 24 43 1 46 24 44 1 47 26 45 1 @SUBSTRUCTURE 1 noname 1