@MOLECULE FDBD01261 50 51 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -4.9068 -1.9876 -1.6099 Cl 1 UNK -0.0835 2 O -0.2693 -2.9958 0.4835 O.3 1 UNK -0.3898 3 N 2.9165 -1.2358 -0.1070 N.4 1 UNK 0.2367 4 N1 0.0406 2.4644 -0.3071 N.pl3 1 UNK -0.3407 5 N2 -2.1893 -0.0466 2.2104 N.ar 1 UNK -0.2548 6 C 2.3087 1.6277 0.0766 C.3 1 UNK -0.0300 7 C1 2.3903 0.8671 -1.2528 C.3 1 UNK -0.0109 8 C2 1.4002 2.8618 -0.0060 C.3 1 UNK 0.0180 9 C3 3.3526 -0.3158 -1.1511 C.3 1 UNK -0.0318 10 C4 1.5550 -1.7055 -0.3698 C.3 1 UNK -0.0082 11 C5 1.8790 3.8197 -1.0921 C.3 1 UNK -0.0467 12 C6 3.8345 -2.3716 -0.0046 C.3 1 UNK -0.0347 13 C7 -0.7079 1.6265 0.4999 C.ar 1 UNK 0.0380 14 C8 1.0583 -2.5775 0.7722 C.3 1 UNK 0.0841 15 C9 5.2422 -1.9109 0.3332 C.3 1 UNK -0.0245 16 C10 -1.7118 0.7631 -0.0086 C.ar 1 UNK 0.0213 17 C11 -0.4750 1.6215 1.8831 C.ar 1 UNK -0.0221 18 C12 -2.4298 -0.0583 0.8856 C.ar 1 UNK 0.0741 19 C13 -1.9890 0.7252 -1.3856 C.ar 1 UNK -0.0494 20 C14 -1.2286 0.7826 2.6787 C.ar 1 UNK 0.0300 21 C15 -3.4099 -0.8967 0.3615 C.ar 1 UNK -0.0173 22 C16 -2.9747 -0.1228 -1.8825 C.ar 1 UNK -0.0426 23 C17 -3.6858 -0.9346 -1.0076 C.ar 1 UNK 0.0430 24 H -0.5970 -3.5536 1.2063 H 1 UNK 0.2096 25 H1 2.9207 -0.7346 0.7813 H 1 UNK 0.2034 26 H2 -0.3735 2.8093 -1.1310 H 1 UNK 0.1464 27 H3 3.2931 1.9443 0.3516 H 1 UNK 0.0285 28 H4 1.8903 0.9647 0.8048 H 1 UNK 0.0285 29 H5 2.7347 1.5332 -2.0161 H 1 UNK 0.0317 30 H6 1.4164 0.4937 -1.4913 H 1 UNK 0.0317 31 H7 1.4363 3.3553 0.9427 H 1 UNK 0.0495 32 H8 3.3776 -0.8318 -2.0881 H 1 UNK 0.0814 33 H9 4.3282 0.0497 -0.9072 H 1 UNK 0.0814 34 H10 1.5486 -2.2753 -1.2754 H 1 UNK 0.0837 35 H11 0.9096 -0.8569 -0.4609 H 1 UNK 0.0837 36 H12 1.8438 3.3283 -2.0419 H 1 UNK 0.0247 37 H13 2.8842 4.1214 -0.8837 H 1 UNK 0.0247 38 H14 1.2449 4.6813 -1.1126 H 1 UNK 0.0247 39 H15 3.8523 -2.8915 -0.9396 H 1 UNK 0.0812 40 H16 3.4914 -3.0153 0.7783 H 1 UNK 0.0812 41 H17 1.6917 -3.4340 0.8727 H 1 UNK 0.0610 42 H18 1.0745 -2.0232 1.6873 H 1 UNK 0.0610 43 H19 5.6015 -1.2651 -0.4406 H 1 UNK 0.0281 44 H20 5.8859 -2.7617 0.4152 H 1 UNK 0.0281 45 H21 5.2307 -1.3814 1.2629 H 1 UNK 0.0281 46 H22 0.2456 2.2330 2.2976 H 1 UNK 0.0651 47 H23 -1.4586 1.3297 -2.0324 H 1 UNK 0.0625 48 H24 -1.0478 0.7883 3.6947 H 1 UNK 0.0830 49 H25 -3.9458 -1.5051 1.0000 H 1 UNK 0.0653 50 H26 -3.1760 -0.1483 -2.8944 H 1 UNK 0.0632 @BOND 1 1 23 1 2 2 14 1 3 3 9 1 4 3 10 1 5 3 12 1 6 4 8 1 7 4 13 1 8 5 18 ar 9 5 20 ar 10 6 7 1 11 6 8 1 12 7 9 1 13 8 11 1 14 10 14 1 15 12 15 1 16 13 16 ar 17 13 17 ar 18 16 18 ar 19 16 19 ar 20 17 20 ar 21 18 21 ar 22 19 22 ar 23 21 23 ar 24 22 23 ar 25 2 24 1 26 3 25 1 27 4 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 7 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 10 34 1 36 10 35 1 37 11 36 1 38 11 37 1 39 11 38 1 40 12 39 1 41 12 40 1 42 14 41 1 43 14 42 1 44 15 43 1 45 15 44 1 46 15 45 1 47 17 46 1 48 19 47 1 49 20 48 1 50 21 49 1 51 22 50 1