@MOLECULE FDBD02245 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1312 3.0736 0.0686 C.3 1 UNK -0.0440 2 C1 2.5530 4.1348 1.0520 C.2 1 UNK -0.0793 3 C2 2.6382 3.8491 2.3276 C.2 1 UNK -0.0809 4 C3 2.3144 2.4592 2.8117 C.3 1 UNK -0.0033 5 C4 2.6244 2.1301 4.2734 C.3 1 UNK 0.0688 6 C5 3.2300 3.2208 5.1188 C.2 1 UNK 0.3116 7 O 4.1508 2.9698 5.8598 O.2 1 UNK -0.2505 8 O1 2.7466 4.4710 5.0486 O.3 1 UNK -0.4602 9 C6 3.3786 5.4704 5.8912 C.3 1 UNK 0.1120 10 C7 2.7079 6.8032 5.6792 C.2 1 UNK -0.0324 11 C8 2.3935 7.5505 6.7102 C.2 1 UNK 0.0221 12 C9 1.7227 8.8832 6.4982 C.3 1 UNK 0.0080 13 C10 0.2295 8.7188 6.6180 C.ar 1 UNK -0.0422 14 C11 -0.5244 8.4159 5.4996 C.ar 1 UNK -0.0582 15 C12 -1.8941 8.2651 5.6094 C.ar 1 UNK -0.0615 16 C13 -2.5098 8.4167 6.8378 C.ar 1 UNK -0.0617 17 C14 -1.7558 8.7187 7.9563 C.ar 1 UNK -0.0615 18 C15 -0.3856 8.8653 7.8472 C.ar 1 UNK -0.0582 19 Cl 2.7500 7.0044 8.3190 Cl 1 UNK -0.0881 20 C16 1.1740 2.3103 3.8208 C.3 1 UNK -0.0144 21 C17 0.4496 3.5840 4.2611 C.3 1 UNK -0.0585 22 C18 0.3035 1.0559 3.7230 C.3 1 UNK -0.0585 23 C19 2.8767 5.5248 0.5679 C.3 1 UNK -0.0440 24 H 1.9442 2.1582 0.5901 H 1 UNK 0.0274 25 H1 2.9103 2.9225 -0.6491 H 1 UNK 0.0274 26 H2 1.2396 3.3867 -0.4334 H 1 UNK 0.0274 27 H3 2.9271 4.5758 3.0010 H 1 UNK 0.0575 28 H4 2.5535 2.0145 1.8683 H 1 UNK 0.0356 29 H5 3.1703 1.3597 4.7767 H 1 UNK 0.0425 30 H6 4.4149 5.5481 5.6364 H 1 UNK 0.0743 31 H7 3.2842 5.1829 6.9175 H 1 UNK 0.0743 32 H8 2.4960 7.1279 4.7228 H 1 UNK 0.0617 33 H9 1.9637 9.2528 5.5234 H 1 UNK 0.0370 34 H10 2.0656 9.5766 7.2374 H 1 UNK 0.0370 35 H11 -0.0647 8.3023 4.5827 H 1 UNK 0.0620 36 H12 -2.4570 8.0394 4.7744 H 1 UNK 0.0618 37 H13 -3.5324 8.3044 6.9198 H 1 UNK 0.0618 38 H14 -2.2158 8.8347 8.8728 H 1 UNK 0.0618 39 H15 0.1781 9.0841 8.6835 H 1 UNK 0.0620 40 H16 1.1455 4.3960 4.2963 H 1 UNK 0.0235 41 H17 0.0253 3.4355 5.2321 H 1 UNK 0.0235 42 H18 -0.3286 3.8112 3.5628 H 1 UNK 0.0235 43 H19 0.9046 0.2282 3.4092 H 1 UNK 0.0235 44 H20 -0.4784 1.2190 3.0110 H 1 UNK 0.0235 45 H21 -0.1245 0.8432 4.6803 H 1 UNK 0.0235 46 H22 2.7525 5.5706 -0.4939 H 1 UNK 0.0274 47 H23 3.8891 5.7633 0.8192 H 1 UNK 0.0274 48 H24 2.2184 6.2274 1.0347 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 23 1 4 3 4 1 5 4 20 1 6 4 5 1 7 5 6 1 8 5 20 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 11 2 14 11 12 1 15 11 19 1 16 12 13 1 17 13 18 ar 18 13 14 ar 19 14 15 ar 20 15 16 ar 21 16 17 ar 22 17 18 ar 23 20 21 1 24 20 22 1 25 1 24 1 26 1 25 1 27 1 26 1 28 3 27 1 29 4 28 1 30 5 29 1 31 9 30 1 32 9 31 1 33 10 32 1 34 12 33 1 35 12 34 1 36 14 35 1 37 15 36 1 38 16 37 1 39 17 38 1 40 18 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 22 43 1 45 22 44 1 46 22 45 1 47 23 46 1 48 23 47 1 49 23 48 1