@MOLECULE FDBD03006 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2521 0.9666 -0.9139 C.3 1 UNK -0.0388 2 C1 -0.2307 -0.4738 -0.4713 C.ar 1 UNK -0.0324 3 C2 -0.3824 -1.4800 -1.3974 C.ar 1 UNK -0.0125 4 C3 -0.3637 -2.8116 -0.9959 C.ar 1 UNK 0.1655 5 C4 -0.1909 -3.1367 0.3452 C.ar 1 UNK 0.2042 6 C5 -0.0366 -2.1305 1.2879 C.ar 1 UNK 0.1762 7 C6 -0.0508 -0.7875 0.8805 C.ar 1 UNK 0.0708 8 C7 0.1127 0.2877 1.8733 C.2 1 UNK 0.2024 9 O -0.8439 0.6674 2.5220 O.2 1 UNK -0.2863 10 C8 1.4365 0.9045 2.0812 C.ar 1 UNK 0.0881 11 C9 2.3869 0.2910 2.9067 C.ar 1 UNK -0.0147 12 C10 2.0816 -1.0114 3.6007 C.3 1 UNK -0.0374 13 C11 3.6139 0.9106 3.0689 C.ar 1 UNK 0.0628 14 C12 3.8639 2.1066 2.4171 C.ar 1 UNK 0.0500 15 N 2.9534 2.6666 1.6446 N.ar 1 UNK -0.2193 16 C13 1.7681 2.1137 1.4508 C.ar 1 UNK 0.2259 17 O1 0.8638 2.7244 0.6484 O.3 1 UNK -0.4792 18 C14 1.2939 3.9042 -0.0336 C.3 1 UNK 0.0804 19 Cl 4.8290 0.1947 4.0812 Cl 1 UNK -0.0817 20 O2 0.1323 -2.4438 2.5980 O.3 1 UNK -0.4906 21 C15 -1.0446 -2.5122 3.4056 C.3 1 UNK 0.0790 22 O3 -0.1738 -4.4412 0.7328 O.3 1 UNK -0.4885 23 C16 1.0775 -5.1264 0.6497 C.3 1 UNK 0.0791 24 O4 -0.5151 -3.7979 -1.9169 O.3 1 UNK -0.4913 25 C17 -0.6887 -3.3947 -3.2768 C.3 1 UNK 0.0790 26 H -0.1205 1.6029 -0.0638 H 1 UNK 0.0278 27 H1 -1.1910 1.1828 -1.3793 H 1 UNK 0.0278 28 H2 0.5400 1.1368 -1.6128 H 1 UNK 0.0278 29 H3 -0.5106 -1.2457 -2.3942 H 1 UNK 0.0658 30 H4 1.0898 -1.3252 3.3500 H 1 UNK 0.0278 31 H5 2.1563 -0.8773 4.6596 H 1 UNK 0.0278 32 H6 2.7819 -1.7564 3.2852 H 1 UNK 0.0278 33 H7 4.7791 2.5680 2.5380 H 1 UNK 0.0846 34 H8 0.4906 4.2847 -0.6292 H 1 UNK 0.0660 35 H9 2.1252 3.6684 -0.6647 H 1 UNK 0.0660 36 H10 1.5880 4.6429 0.6824 H 1 UNK 0.0660 37 H11 -0.7742 -2.7660 4.4093 H 1 UNK 0.0660 38 H12 -1.7030 -3.2592 3.0139 H 1 UNK 0.0660 39 H13 -1.5378 -1.5627 3.3983 H 1 UNK 0.0660 40 H14 0.9539 -6.1362 0.9813 H 1 UNK 0.0660 41 H15 1.7963 -4.6328 1.2698 H 1 UNK 0.0660 42 H16 1.4192 -5.1233 -0.3643 H 1 UNK 0.0660 43 H17 -0.7958 -4.2615 -3.8949 H 1 UNK 0.0660 44 H18 0.1653 -2.8336 -3.5942 H 1 UNK 0.0660 45 H19 -1.5656 -2.7871 -3.3595 H 1 UNK 0.0660 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 24 1 7 5 6 ar 8 5 22 1 9 6 7 ar 10 6 20 1 11 7 8 1 12 8 9 2 13 8 10 1 14 10 16 ar 15 10 11 ar 16 11 12 1 17 11 13 ar 18 13 14 ar 19 13 19 1 20 14 15 ar 21 15 16 ar 22 16 17 1 23 17 18 1 24 20 21 1 25 22 23 1 26 24 25 1 27 1 26 1 28 1 27 1 29 1 28 1 30 3 29 1 31 12 30 1 32 12 31 1 33 12 32 1 34 14 33 1 35 18 34 1 36 18 35 1 37 18 36 1 38 21 37 1 39 21 38 1 40 21 39 1 41 23 40 1 42 23 41 1 43 23 42 1 44 25 43 1 45 25 44 1 46 25 45 1