@MOLECULE FDBD01403 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -4.1937 -5.1421 0.7067 Cl 1 UNK -0.0835 2 O 5.6532 0.3226 0.1038 O.3 1 UNK -0.3688 3 O1 8.8025 -1.3814 0.0017 O.co2 1 UNK -0.5474 4 O2 8.2300 0.6184 0.9293 O.co2 1 UNK -0.5474 5 N -0.7729 0.5533 -0.1388 N.4 1 UNK 0.2514 6 N1 2.0699 0.9566 -0.4771 N.4 1 UNK 0.2443 7 C 0.1146 -0.5544 -0.5134 C.3 1 UNK 0.0104 8 C1 -0.2373 1.8280 -0.6321 C.3 1 UNK 0.0104 9 C2 1.5340 -0.3188 0.0143 C.3 1 UNK 0.0096 10 C3 1.1817 2.0641 -0.1033 C.3 1 UNK 0.0096 11 C4 -2.1257 0.3284 -0.6441 C.3 1 UNK 0.0313 12 C5 3.4220 1.1816 0.0302 C.3 1 UNK -0.0075 13 C6 -2.6491 -1.0586 -0.3013 C.ar 1 UNK 0.0049 14 C7 -3.0941 1.4211 -0.2158 C.ar 1 UNK 0.0048 15 C8 4.3494 0.0545 -0.3955 C.3 1 UNK 0.0880 16 C9 -2.4224 -2.0946 -1.1844 C.ar 1 UNK -0.0515 17 C10 -3.3358 -1.2391 0.8821 C.ar 1 UNK -0.0515 18 C11 -4.1580 1.7299 -1.0389 C.ar 1 UNK -0.0529 19 C12 -2.8800 2.0704 0.9830 C.ar 1 UNK -0.0529 20 C13 -2.9033 -3.3658 -0.8707 C.ar 1 UNK -0.0429 21 C14 -3.8165 -2.5104 1.1961 C.ar 1 UNK -0.0429 22 C15 -5.0461 2.7314 -0.6464 C.ar 1 UNK -0.0613 23 C16 -3.7681 3.0719 1.3755 C.ar 1 UNK -0.0613 24 C17 -3.6002 -3.5738 0.3197 C.ar 1 UNK 0.0410 25 C18 -4.8512 3.4024 0.5608 C.ar 1 UNK -0.0617 26 C19 6.5669 -0.7089 -0.2436 C.3 1 UNK 0.0871 27 C20 7.9301 -0.3866 0.3025 C.2 1 UNK 0.0673 28 H -0.8205 0.5969 0.8792 H 1 UNK 0.2048 29 H1 2.1188 0.9136 -1.4950 H 1 UNK 0.2038 30 H2 0.1458 -0.6333 -1.5800 H 1 UNK 0.0868 31 H3 -0.2650 -1.4577 -0.0834 H 1 UNK 0.0868 32 H4 -0.8710 2.6252 -0.3038 H 1 UNK 0.0868 33 H5 -0.2035 1.7947 -1.7010 H 1 UNK 0.0868 34 H6 1.5117 -0.3007 1.0839 H 1 UNK 0.0868 35 H7 2.1639 -1.1110 -0.3327 H 1 UNK 0.0868 36 H8 1.5630 2.9742 -0.5170 H 1 UNK 0.0868 37 H9 1.1432 2.1267 0.9642 H 1 UNK 0.0868 38 H10 -2.0571 0.3779 -1.7108 H 1 UNK 0.0958 39 H11 3.3931 1.2282 1.0988 H 1 UNK 0.0837 40 H12 3.7917 2.1019 -0.3713 H 1 UNK 0.0837 41 H13 3.9951 -0.8731 0.0032 H 1 UNK 0.0613 42 H14 4.3749 -0.0125 -1.4631 H 1 UNK 0.0613 43 H15 -1.9055 -1.9315 -2.0626 H 1 UNK 0.0623 44 H16 -3.4912 -0.4464 1.5243 H 1 UNK 0.0623 45 H17 -4.2943 1.2280 -1.9303 H 1 UNK 0.0622 46 H18 -2.0761 1.8191 1.5793 H 1 UNK 0.0622 47 H19 -2.7435 -4.1525 -1.5193 H 1 UNK 0.0632 48 H20 -4.3321 -2.6642 2.0767 H 1 UNK 0.0632 49 H21 -5.8473 2.9759 -1.2492 H 1 UNK 0.0618 50 H22 -3.6239 3.5684 2.2687 H 1 UNK 0.0618 51 H23 -5.5082 4.1433 0.8513 H 1 UNK 0.0618 52 H24 6.6214 -0.7913 -1.3090 H 1 UNK 0.0622 53 H25 6.2293 -1.6350 0.1727 H 1 UNK 0.0622 @BOND 1 1 24 1 2 2 15 1 3 2 26 1 4 3 27 ar 5 4 27 ar 6 5 7 1 7 5 8 1 8 5 11 1 9 6 9 1 10 6 10 1 11 6 12 1 12 7 9 1 13 8 10 1 14 11 13 1 15 11 14 1 16 12 15 1 17 13 16 ar 18 13 17 ar 19 14 18 ar 20 14 19 ar 21 16 20 ar 22 17 21 ar 23 18 22 ar 24 19 23 ar 25 20 24 ar 26 21 24 ar 27 22 25 ar 28 23 25 ar 29 26 27 1 30 5 28 1 31 6 29 1 32 7 30 1 33 7 31 1 34 8 32 1 35 8 33 1 36 9 34 1 37 9 35 1 38 10 36 1 39 10 37 1 40 11 38 1 41 12 39 1 42 12 40 1 43 15 41 1 44 15 42 1 45 16 43 1 46 17 44 1 47 18 45 1 48 19 46 1 49 20 47 1 50 21 48 1 51 22 49 1 52 23 50 1 53 25 51 1 54 26 52 1 55 26 53 1