@MOLECULE 136468 49 54 1 SMALL USER_CHARGES @ATOM 1 F1 1.5198 -3.1676 3.9835 F 1 noname -0.1578 2 C1 1.9831 -2.0457 3.5152 C.2 1 noname 0.0652 3 C2 3.2355 -1.5167 3.9673 C.2 1 noname 0.0404 4 C3 1.2671 -1.3093 2.5437 C.2 1 noname 0.0262 5 C4 3.8676 -2.0618 5.0936 C.2 1 noname 0.0921 6 C5 3.8100 -0.3074 3.4614 C.2 1 noname 0.0010 7 C6 1.8157 -0.0727 2.0480 C.2 1 noname -0.0041 8 N1 5.1117 -1.7676 5.5110 N.2 1 noname -0.2705 9 N2 3.2353 -2.7414 6.0598 N.2 1 noname -0.1846 10 C7 3.0847 0.4190 2.5004 C.2 1 noname -0.0277 11 C8 1.1056 0.6834 1.0711 C.2 1 noname 0.0614 12 N3 5.2284 -2.1858 6.7216 N.3 1 noname -0.0026 13 C9 4.0881 -2.7896 7.0883 C.2 1 noname -0.0102 14 C10 1.5104 1.8541 0.4247 C.2 1 noname 0.0214 15 C11 -0.1537 0.4469 0.5053 C.2 1 noname 0.0444 16 N4 2.6597 2.5653 0.4807 N.2 1 noname -0.1906 17 N5 0.5269 2.2653 -0.3995 N.3 1 noname -0.0574 18 N6 -0.4464 1.4335 -0.3638 N.2 1 noname -0.2970 19 C12 2.8283 3.6972 -0.2887 C.2 1 noname 0.0803 20 C13 0.5838 3.3992 -1.1650 C.2 1 noname -0.0349 21 N7 4.0255 4.3597 -0.1429 N.3 1 noname -0.0678 22 C14 1.7755 4.1621 -1.1296 C.2 1 noname 0.0219 23 C15 4.7675 4.4264 1.0504 C.2 1 noname 0.1412 24 C16 4.8194 4.9157 -1.1683 C.3 1 noname 0.0778 25 O1 4.4189 4.7966 2.1923 O.2 1 noname -0.2290 26 O2 6.0284 3.9524 0.5882 O.3 1 noname -0.1844 27 C17 4.5227 4.2456 -2.4311 C.2 1 noname 0.0030 28 C18 6.2227 4.5292 -0.7041 C.3 1 noname 0.0786 29 C19 4.0382 4.9773 -3.5090 C.2 1 noname 0.0487 30 C20 4.7247 2.8760 -2.5553 C.2 1 noname -0.0187 31 F2 3.8491 6.2592 -3.3928 F 1 noname -0.1609 32 C21 3.7558 4.3393 -4.7113 C.2 1 noname 0.0449 33 C22 4.4423 2.2381 -3.7575 C.2 1 noname -0.0089 34 C23 3.9578 2.9697 -4.8355 C.2 1 noname 0.0394 35 F3 3.6934 2.3726 -5.9608 F 1 noname -0.1633 36 H1 0.3103 -1.6878 2.1838 H 1 noname 0.0660 37 H2 4.7808 0.0532 3.8013 H 1 noname 0.0631 38 H3 3.4999 1.3490 2.1120 H 1 noname 0.0629 39 H4 6.0608 -2.0630 7.2804 H 1 noname 0.1766 40 H5 3.8881 -3.2432 8.0590 H 1 noname 0.1028 41 H6 -0.8171 -0.3926 0.7135 H 1 noname 0.0864 42 H7 -0.2765 3.6805 -1.7723 H 1 noname 0.0815 43 H8 1.8781 5.0694 -1.7249 H 1 noname 0.0670 44 H9 4.6138 5.9757 -1.3174 H 1 noname 0.0554 45 H10 6.6003 3.7356 -1.3488 H 1 noname 0.0594 46 H11 6.8075 5.4374 -0.5581 H 1 noname 0.0594 47 H12 5.1047 2.3023 -1.7100 H 1 noname 0.0628 48 H13 3.3758 4.9131 -5.5566 H 1 noname 0.0684 49 H14 4.6007 1.1640 -3.8550 H 1 noname 0.0653 @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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 8 12 1 13 9 13 2 14 11 14 2 15 11 15 1 16 12 13 1 17 14 16 1 18 14 17 1 19 15 18 2 20 16 19 2 21 17 20 1 22 17 18 1 23 19 21 1 24 19 22 1 25 20 22 2 26 21 23 1 27 24 21 1 28 23 25 2 29 23 26 1 30 24 27 1 31 24 28 1 32 26 28 1 33 27 29 2 34 27 30 1 35 29 31 1 36 29 32 1 37 30 33 2 38 32 34 2 39 33 34 1 40 34 35 1 41 4 36 1 42 6 37 1 43 10 38 1 44 12 39 1 45 13 40 1 46 15 41 1 47 20 42 1 48 22 43 1 49 24 44 1 50 28 45 1 51 28 46 1 52 30 47 1 53 32 48 1 54 33 49 1 @SUBSTRUCTURE 1 noname 1