@MOLECULE 136482 49 54 1 SMALL USER_CHARGES @ATOM 1 F1 1.4670 -0.4522 7.0166 F 1 noname -0.1578 2 C1 1.9333 0.3083 6.0696 C.2 1 noname 0.0652 3 C2 3.1699 1.0140 6.2294 C.2 1 noname 0.0404 4 C3 1.2362 0.4650 4.8497 C.2 1 noname 0.0262 5 C4 3.7778 1.0982 7.4898 C.2 1 noname 0.0921 6 C5 3.7477 1.8346 5.2090 C.2 1 noname 0.0010 7 C6 1.7877 1.3139 3.8243 C.2 1 noname -0.0041 8 N1 5.0088 1.5817 7.7335 N.2 1 noname -0.2705 9 N2 3.1267 0.9631 8.6530 N.2 1 noname -0.1846 10 C7 3.0412 1.9875 4.0029 C.2 1 noname -0.0277 11 C8 1.0965 1.4853 2.5902 C.2 1 noname 0.0614 12 N3 5.0983 1.8080 8.9964 N.3 1 noname -0.0026 13 C9 3.9538 1.4378 9.5901 C.2 1 noname -0.0102 14 C10 1.5085 2.2006 1.4629 C.2 1 noname 0.0214 15 C11 -0.1464 0.9796 2.1885 C.2 1 noname 0.0444 16 N4 2.6506 2.8706 1.1862 N.2 1 noname -0.1906 17 N5 0.5428 2.1400 0.5250 N.3 1 noname -0.0574 18 N6 -0.4248 1.4126 0.9437 N.2 1 noname -0.2970 19 C12 2.8298 3.4877 -0.0339 C.2 1 noname 0.0803 20 C13 0.6103 2.7586 -0.6947 C.2 1 noname -0.0349 21 N7 4.0179 4.1597 -0.2076 N.3 1 noname -0.0678 22 C14 1.7948 3.4645 -1.0137 C.2 1 noname 0.0219 23 C15 4.7292 4.8129 0.8153 C.2 1 noname 0.1411 24 C16 4.8329 4.1611 -1.3593 C.3 1 noname 0.0751 25 O1 4.3494 5.6856 1.6257 O.2 1 noname -0.2290 26 O2 6.0049 4.1977 0.6656 O.3 1 noname -0.1844 27 C17 4.6873 5.4353 -2.0571 C.2 1 noname -0.0295 28 C18 6.2271 4.0760 -0.7402 C.3 1 noname 0.0785 29 C19 4.2207 5.4614 -3.3662 C.2 1 noname 0.0015 30 C20 5.0151 6.6222 -1.4123 C.2 1 noname -0.0538 31 C21 4.0821 6.6745 -4.0305 C.2 1 noname 0.0254 32 C22 4.8765 7.8353 -2.0766 C.2 1 noname -0.0425 33 F2 3.6454 6.6990 -5.2558 F 1 noname -0.1652 34 C23 4.4099 7.8615 -3.3857 C.2 1 noname -0.0081 35 H1 0.2917 -0.0587 4.7024 H 1 noname 0.0660 36 H2 4.7069 2.3333 5.3478 H 1 noname 0.0631 37 H3 3.4589 2.6184 3.2183 H 1 noname 0.0629 38 H4 5.9155 2.2030 9.4396 H 1 noname 0.1766 39 H5 3.7330 1.5104 10.6550 H 1 noname 0.1028 40 H6 -0.8083 0.3353 2.7672 H 1 noname 0.0864 41 H7 -0.2367 2.6924 -1.3776 H 1 noname 0.0815 42 H8 1.9054 3.9690 -1.9736 H 1 noname 0.0670 43 H9 4.5480 3.3805 -2.0647 H 1 noname 0.0552 44 H10 6.6267 3.0761 -0.9098 H 1 noname 0.0594 45 H11 6.8011 4.9512 -1.0446 H 1 noname 0.0594 46 H12 3.9636 4.5307 -3.8718 H 1 noname 0.0656 47 H13 5.3810 6.6017 -0.3857 H 1 noname 0.0626 48 H14 5.1336 8.7661 -1.5709 H 1 noname 0.0623 49 H15 4.3012 8.8127 -3.9066 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 30 32 2 37 31 33 1 38 31 34 2 39 32 34 1 40 4 35 1 41 6 36 1 42 10 37 1 43 12 38 1 44 13 39 1 45 15 40 1 46 20 41 1 47 22 42 1 48 24 43 1 49 28 44 1 50 28 45 1 51 29 46 1 52 30 47 1 53 32 48 1 54 34 49 1 @SUBSTRUCTURE 1 noname 1