@MOLECULE 125430 48 50 1 SMALL USER_CHARGES @ATOM 1 F1 0.5772 -4.9770 -2.1616 F 1 noname -0.1465 2 C1 0.4669 -3.7679 -1.6942 C.2 1 noname 0.0784 3 C2 -0.7504 -3.0455 -1.7630 C.2 1 noname 0.0791 4 C3 1.5692 -3.0890 -1.0797 C.2 1 noname 0.0232 5 O1 -1.8154 -3.6069 -2.3739 O.3 1 noname -0.2346 6 N1 -0.8741 -1.7808 -1.2203 N.2 1 noname -0.2145 7 C4 1.4520 -1.7522 -0.5604 C.2 1 noname 0.0044 8 C5 -1.8041 -3.2664 -3.7524 C.3 1 noname 0.0441 9 C6 0.1645 -1.1319 -0.6118 C.2 1 noname 0.0029 10 N2 2.5895 -1.1160 -0.0804 N.3 1 noname 0.0206 11 C7 2.5716 0.1333 0.4652 C.2 1 noname 0.0788 12 N3 2.1694 1.1196 -0.3966 N.2 1 noname -0.2296 13 C8 2.6113 0.4067 1.8743 C.2 1 noname 0.0573 14 C9 1.6975 2.3409 -0.0348 C.2 1 noname 0.0410 15 N4 2.1697 1.6717 2.2119 N.2 1 noname -0.2079 16 C10 2.9521 -0.5564 2.8963 C.2 1 noname 0.0377 17 C11 1.6937 2.6280 1.3460 C.2 1 noname 0.0257 18 N5 3.0048 -0.0929 4.1964 N.2 1 noname -0.2486 19 C12 3.2769 -1.9288 2.6125 C.2 1 noname 0.0040 20 C13 1.1972 3.9078 1.8433 C.3 1 noname 0.1026 21 C14 3.4016 -0.8620 5.2634 C.2 1 noname 0.0581 22 C15 3.6844 -2.7207 3.7148 C.2 1 noname 0.0428 23 O2 0.1048 3.6825 2.7220 O.3 1 noname -0.3840 24 C16 2.3160 4.6314 2.5954 C.3 1 noname -0.0305 25 C17 0.7353 4.7681 0.6654 C.3 1 noname -0.0305 26 N6 3.7346 -2.1611 4.9644 N.2 1 noname -0.2432 27 C18 3.4651 -0.3345 6.6233 C.3 1 noname 0.0672 28 N7 4.0178 -4.0063 3.5365 N.3 1 noname -0.1157 29 H1 2.5262 -3.6052 -1.0051 H 1 noname 0.0672 30 H2 -1.7992 -4.1770 -4.3515 H 1 noname 0.0535 31 H3 -2.6922 -2.6804 -3.9892 H 1 noname 0.0535 32 H4 -0.9123 -2.6804 -3.9747 H 1 noname 0.0535 33 H5 -0.0282 -0.1496 -0.1805 H 1 noname 0.0857 34 H6 3.4805 -1.5888 -0.1310 H 1 noname 0.1358 35 H7 1.3479 3.0386 -0.7957 H 1 noname 0.0860 36 H8 3.2171 -2.3491 1.6085 H 1 noname 0.0679 37 H9 0.4072 3.7449 3.6310 H 1 noname 0.2113 38 H10 2.1574 4.5288 3.6690 H 1 noname 0.0263 39 H11 3.2771 4.1931 2.3266 H 1 noname 0.0263 40 H12 2.3104 5.6877 2.3266 H 1 noname 0.0263 41 H13 0.4146 4.1226 -0.1523 H 1 noname 0.0263 42 H14 -0.0975 5.3973 0.9796 H 1 noname 0.0263 43 H15 1.5596 5.3973 0.3297 H 1 noname 0.0263 44 H16 3.4982 -1.1615 7.3326 H 1 noname 0.0312 45 H17 4.3612 0.2758 6.7348 H 1 noname 0.0312 46 H18 2.5832 0.2758 6.8178 H 1 noname 0.0312 47 H19 3.2967 -4.7103 3.4693 H 1 noname 0.1257 48 H20 4.9901 -4.2712 3.4693 H 1 noname 0.1257 @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 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 2 16 13 16 1 17 14 17 2 18 15 17 1 19 16 18 2 20 16 19 1 21 17 20 1 22 18 21 1 23 19 22 2 24 20 23 1 25 20 24 1 26 20 25 1 27 21 26 2 28 21 27 1 29 22 28 1 30 22 26 1 31 4 29 1 32 8 30 1 33 8 31 1 34 8 32 1 35 9 33 1 36 10 34 1 37 14 35 1 38 19 36 1 39 23 37 1 40 24 38 1 41 24 39 1 42 24 40 1 43 25 41 1 44 25 42 1 45 25 43 1 46 27 44 1 47 27 45 1 48 27 46 1 49 28 47 1 50 28 48 1 @SUBSTRUCTURE 1 noname 1