@MOLECULE FDBD03067 43 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5822 0.2747 0.8607 C.3 1 UNK -0.0257 2 C1 -0.4146 0.7018 -0.2186 C.3 1 UNK 0.1496 3 C2 0.2634 0.6479 -1.5891 C.3 1 UNK 0.2098 4 N 1.4155 1.5527 -1.5999 N.ar 1 UNK -0.0683 5 C3 2.6841 1.2381 -1.9141 C.ar 1 UNK 0.2726 6 N1 3.4102 2.3208 -1.8035 N.ar 1 UNK -0.2928 7 C4 2.6439 3.3420 -1.4226 C.ar 1 UNK 0.1651 8 N2 1.4130 2.9225 -1.2900 N.ar 1 UNK 0.0139 9 C5 -1.5982 -0.2309 -0.2066 C.ar 1 UNK 0.0016 10 C6 -1.9630 -0.8980 -1.3618 C.ar 1 UNK -0.0516 11 C7 -3.0473 -1.7535 -1.3536 C.ar 1 UNK -0.0190 12 C8 -3.7710 -1.9432 -0.1847 C.ar 1 UNK 0.1290 13 C9 -3.4030 -1.2727 0.9728 C.ar 1 UNK -0.0073 14 C10 -2.3140 -0.4225 0.9605 C.ar 1 UNK 0.0644 15 C11 -1.9133 0.3058 2.2175 C.3 1 UNK 0.4179 16 F -2.8889 0.1101 3.2009 F 1 UNK -0.1659 17 F1 -0.6866 -0.1896 2.6725 F 1 UNK -0.1659 18 F2 -1.7924 1.6728 1.9460 F 1 UNK -0.1659 19 O -4.8385 -2.7839 -0.1740 O.3 1 UNK -0.4560 20 C12 -5.0958 -3.5027 -1.2984 C.ar 1 UNK 0.1285 21 C13 -4.2290 -4.5126 -1.6907 C.ar 1 UNK -0.0180 22 C14 -4.4923 -5.2421 -2.8339 C.ar 1 UNK -0.0399 23 C15 -5.6196 -4.9662 -3.5875 C.ar 1 UNK 0.0412 24 C16 -6.4852 -3.9595 -3.1979 C.ar 1 UNK -0.0399 25 C17 -6.2286 -3.2315 -2.0523 C.ar 1 UNK -0.0180 26 Cl -5.9479 -5.8840 -5.0240 Cl 1 UNK -0.0835 27 O1 -0.8565 2.0355 0.0421 O.3 1 UNK -0.3778 28 H 0.9131 -0.7240 0.6655 H 1 UNK 0.0263 29 H1 0.1080 0.3124 1.8192 H 1 UNK 0.0263 30 H2 1.4226 0.9370 0.8522 H 1 UNK 0.0263 31 H3 -0.4332 0.9484 -2.3437 H 1 UNK 0.1088 32 H4 0.5926 -0.3511 -1.7851 H 1 UNK 0.1088 33 H5 3.0257 0.3053 -2.1938 H 1 UNK 0.1623 34 H6 4.3781 2.3731 -1.9759 H 1 UNK 0.1720 35 H7 2.9693 4.3076 -1.2588 H 1 UNK 0.1090 36 H8 -1.4246 -0.7565 -2.2307 H 1 UNK 0.0622 37 H9 -3.3191 -2.2512 -2.2159 H 1 UNK 0.0654 38 H10 -3.9422 -1.4089 1.8422 H 1 UNK 0.0660 39 H11 -3.3882 -4.7186 -1.1289 H 1 UNK 0.0655 40 H12 -3.8478 -5.9933 -3.1261 H 1 UNK 0.0633 41 H13 -7.3231 -3.7524 -3.7636 H 1 UNK 0.0633 42 H14 -6.8790 -2.4865 -1.7574 H 1 UNK 0.0655 43 H15 -0.0947 2.6359 0.0344 H 1 UNK 0.2109 @BOND 1 1 2 1 2 2 3 1 3 2 9 1 4 2 27 1 5 3 4 1 6 4 8 ar 7 4 5 ar 8 5 6 ar 9 6 7 ar 10 7 8 ar 11 9 14 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 12 13 ar 16 12 19 1 17 13 14 ar 18 14 15 1 19 15 16 1 20 15 17 1 21 15 18 1 22 19 20 1 23 20 25 ar 24 20 21 ar 25 21 22 ar 26 22 23 ar 27 23 24 ar 28 23 26 1 29 24 25 ar 30 1 28 1 31 1 29 1 32 1 30 1 33 3 31 1 34 3 32 1 35 5 33 1 36 6 34 1 37 7 35 1 38 10 36 1 39 11 37 1 40 13 38 1 41 21 39 1 42 22 40 1 43 24 41 1 44 25 42 1 45 27 43 1