@MOLECULE DB04441 32 34 1 SMALL USER_CHARGES @ATOM 1 F1 -4.0608 0.2926 3.2919 F 1 noname -0.0898 2 C1 -3.0003 -0.0438 2.6177 C.2 1 noname 0.1337 3 N1 -2.2433 -1.1213 2.9962 N.2 1 noname -0.2100 4 N2 -2.6169 0.6715 1.5149 N.2 1 noname -0.1982 5 C2 -1.1122 -1.5460 2.3384 C.2 1 noname 0.0853 6 C3 -1.5101 0.2688 0.8213 C.2 1 noname 0.1267 7 N3 -0.4062 -2.5991 2.7721 N.3 1 noname -0.1005 8 C4 -0.7261 -0.8248 1.1864 C.2 1 noname 0.0162 9 N4 -0.9706 0.7468 -0.3110 N.3 1 noname 0.0331 10 N5 0.2554 -0.9878 0.2953 N.2 1 noname -0.2190 11 C5 0.0980 -0.0142 -0.6340 C.2 1 noname -0.0310 12 C6 -1.3918 1.8875 -1.0442 C.3 1 noname 0.1590 13 O1 -1.3099 3.0499 -0.2401 O.3 1 noname -0.3483 14 C7 -2.8346 1.8378 -1.5379 C.3 1 noname 0.1258 15 C8 -1.9134 4.0250 -1.0618 C.3 1 noname 0.1117 16 O2 -2.8842 1.1671 -2.7886 O.3 1 noname -0.3857 17 C9 -3.0918 3.3278 -1.7488 C.3 1 noname 0.1126 18 C10 -2.4351 5.1717 -0.1935 C.3 1 noname 0.0722 19 O3 -3.0699 3.6198 -3.1383 O.3 1 noname -0.3873 20 O4 -1.3543 5.7558 0.5185 O.3 1 noname -0.3934 21 H1 -0.8668 -3.4831 2.9355 H 1 noname 0.1258 22 H2 0.5864 -2.5090 2.9355 H 1 noname 0.1258 23 H3 0.7333 0.1341 -1.5072 H 1 noname 0.1016 24 H4 -0.6626 1.9092 -1.8541 H 1 noname 0.0853 25 H5 -3.5516 1.2892 -0.9270 H 1 noname 0.0674 26 H6 -1.1552 4.3886 -1.7553 H 1 noname 0.0656 27 H7 -2.8784 0.2182 -2.6433 H 1 noname 0.2107 28 H8 -4.0740 3.6652 -1.4177 H 1 noname 0.0657 29 H9 -2.8047 5.9551 -0.8551 H 1 noname 0.0591 30 H10 -3.0897 4.7477 0.5680 H 1 noname 0.0591 31 H11 -3.0620 2.7999 -3.6376 H 1 noname 0.2106 32 H12 -1.5100 5.6717 1.4621 H 1 noname 0.2101 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 1 12 12 9 1 13 10 11 2 14 12 13 1 15 12 14 1 16 13 15 1 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 7 21 1 24 7 22 1 25 11 23 1 26 12 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 17 28 1 31 18 29 1 32 18 30 1 33 19 31 1 34 20 32 1 @SUBSTRUCTURE 1 noname 1