@MOLECULE FDBD02441 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.5740 9.6632 13.1643 C.3 1 UNK 0.0789 2 O 4.8167 10.2651 13.4959 O.3 1 UNK -0.4928 3 C1 5.6251 10.7334 12.4946 C.ar 1 UNK 0.1537 4 C2 6.3447 11.8988 12.8294 C.ar 1 UNK 0.0834 5 C3 7.2612 12.4671 11.9408 C.ar 1 UNK -0.0384 6 C4 7.4832 11.8795 10.7028 C.ar 1 UNK -0.0410 7 C5 6.8019 10.7096 10.3597 C.ar 1 UNK 0.0586 8 C6 5.8622 10.1354 11.2413 C.ar 1 UNK 0.1201 9 C7 5.2106 8.8674 10.8355 C.2 1 UNK 0.3443 10 O1 5.3265 7.8092 11.4240 O.2 1 UNK -0.2448 11 O2 4.4507 9.1275 9.7470 O.3 1 UNK -0.4595 12 C8 3.7508 8.0438 9.0852 C.3 1 UNK 0.1084 13 C9 2.2233 8.2909 9.0226 C.3 1 UNK 0.0466 14 N 1.7696 9.4362 8.1861 N.pl3 1 UNK -0.3234 15 C10 2.4979 10.6968 8.3886 C.3 1 UNK 0.0466 16 C11 1.7310 12.0048 8.3037 C.3 1 UNK 0.1084 17 O3 2.6281 12.9853 8.8416 O.3 1 UNK -0.4595 18 C12 2.7290 14.1557 8.1947 C.2 1 UNK 0.3443 19 O4 1.9840 14.5394 7.3121 O.2 1 UNK -0.2448 20 C13 3.9078 14.8983 8.7224 C.ar 1 UNK 0.1201 21 C14 4.5689 15.8106 7.8752 C.ar 1 UNK 0.0586 22 C15 5.6388 16.5745 8.3536 C.ar 1 UNK -0.0410 23 C16 6.0202 16.4898 9.6875 C.ar 1 UNK -0.0384 24 C17 5.3804 15.5923 10.5394 C.ar 1 UNK 0.0834 25 C18 4.3708 14.7424 10.0555 C.ar 1 UNK 0.1537 26 O5 4.0871 13.6091 10.7857 O.3 1 UNK -0.4928 27 C19 3.0340 13.7512 11.7355 C.3 1 UNK 0.0789 28 Cl 5.8753 15.5983 12.1901 Cl 1 UNK -0.0797 29 Cl1 4.2151 16.0117 6.1917 Cl 1 UNK -0.0826 30 C20 1.0234 9.2333 7.0278 C.ar 1 UNK 0.0299 31 C21 1.1776 8.1147 6.1962 C.ar 1 UNK -0.0407 32 C22 0.3896 7.9288 5.0452 C.ar 1 UNK -0.0600 33 C23 -0.5673 8.8717 4.6803 C.ar 1 UNK -0.0616 34 C24 -0.7561 9.9817 5.4829 C.ar 1 UNK -0.0600 35 C25 0.0109 10.1330 6.6462 C.ar 1 UNK -0.0407 36 Cl2 7.2364 9.9893 8.8442 Cl 1 UNK -0.0826 37 Cl3 6.1206 12.6877 14.3569 Cl 1 UNK -0.0797 38 H 3.0757 9.3569 14.0603 H 1 UNK 0.0660 39 H1 3.7458 8.8098 12.5422 H 1 UNK 0.0660 40 H2 2.9642 10.3694 12.6406 H 1 UNK 0.0660 41 H3 7.7730 13.3235 12.2048 H 1 UNK 0.0634 42 H4 8.1488 12.3053 10.0389 H 1 UNK 0.0633 43 H5 3.9320 7.1366 9.6228 H 1 UNK 0.0713 44 H6 4.1161 7.9792 8.0816 H 1 UNK 0.0713 45 H7 1.8804 8.4620 10.0216 H 1 UNK 0.0497 46 H8 1.8142 7.4194 8.5556 H 1 UNK 0.0497 47 H9 3.2704 10.7363 7.6493 H 1 UNK 0.0497 48 H10 2.8189 10.6500 9.4082 H 1 UNK 0.0497 49 H11 0.8336 11.9549 8.8843 H 1 UNK 0.0713 50 H12 1.4308 12.2351 7.3028 H 1 UNK 0.0713 51 H13 6.1473 17.2039 7.7131 H 1 UNK 0.0633 52 H14 6.7774 17.0919 10.0468 H 1 UNK 0.0634 53 H15 2.8895 12.8238 12.2492 H 1 UNK 0.0660 54 H16 2.1314 14.0229 11.2292 H 1 UNK 0.0660 55 H17 3.2905 14.5136 12.4411 H 1 UNK 0.0660 56 H18 1.8898 7.4071 6.4353 H 1 UNK 0.0636 57 H19 0.5224 7.0851 4.4659 H 1 UNK 0.0618 58 H20 -1.1277 8.7441 3.8231 H 1 UNK 0.0618 59 H21 -1.4574 10.6943 5.2270 H 1 UNK 0.0618 60 H22 -0.1765 10.9457 7.2540 H 1 UNK 0.0636 @BOND 1 30 31 ar 2 31 32 ar 3 30 35 ar 4 34 35 ar 5 33 34 ar 6 32 33 ar 7 3 4 ar 8 4 5 ar 9 3 8 ar 10 7 8 ar 11 6 7 ar 12 5 6 ar 13 20 21 ar 14 21 22 ar 15 20 25 ar 16 24 25 ar 17 23 24 ar 18 22 23 ar 19 1 2 1 20 2 3 1 21 4 37 1 22 7 36 1 23 8 9 1 24 9 11 1 25 11 12 1 26 12 13 1 27 13 14 1 28 14 30 1 29 14 15 1 30 15 16 1 31 16 17 1 32 17 18 1 33 18 20 1 34 21 29 1 35 24 28 1 36 25 26 1 37 26 27 1 38 18 19 2 39 9 10 2 40 1 38 1 41 1 39 1 42 1 40 1 43 5 41 1 44 6 42 1 45 12 43 1 46 12 44 1 47 13 45 1 48 13 46 1 49 15 47 1 50 15 48 1 51 16 49 1 52 16 50 1 53 22 51 1 54 23 52 1 55 27 53 1 56 27 54 1 57 27 55 1 58 31 56 1 59 32 57 1 60 33 58 1 61 34 59 1 62 35 60 1