@MOLECULE FDBD00555 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 Cl -1.7899 4.6538 -1.0306 Cl 1 UNK -0.0835 2 F -4.0599 -1.6447 1.3089 F 1 UNK -0.2048 3 O 1.2999 -1.7821 2.7833 O.2 1 UNK -0.2732 4 N 1.2196 0.0702 1.3716 N.am 1 UNK -0.2642 5 N1 4.2387 -0.8855 -0.6200 N.4 1 UNK 0.2360 6 N2 -1.6185 -0.9191 1.8054 N.2 1 UNK -0.2733 7 C 2.6367 -0.0557 1.0308 C.3 1 UNK 0.0599 8 C1 2.8232 -0.7963 -0.2853 C.3 1 UNK -0.0154 9 C2 0.4686 1.1313 0.7576 C.ar 1 UNK 0.0458 10 C3 4.8228 0.4505 -0.7537 C.3 1 UNK -0.0348 11 C4 4.4302 -1.6484 -1.8551 C.3 1 UNK -0.0348 12 C5 -0.9174 1.0507 0.5094 C.ar 1 UNK 0.0234 13 C6 0.6923 -0.8127 2.3213 C.2 1 UNK 0.2414 14 C7 -1.7037 -0.1980 0.7389 C.2 1 UNK 0.0778 15 C8 -0.6904 -0.4948 2.8323 C.3 1 UNK 0.1170 16 C9 1.1330 2.3105 0.3658 C.ar 1 UNK -0.0383 17 C10 -1.6094 2.1474 -0.0362 C.ar 1 UNK -0.0324 18 C11 6.3134 0.3721 -1.0367 C.3 1 UNK -0.0245 19 C12 3.8314 -3.0398 -1.7395 C.3 1 UNK -0.0245 20 C13 -2.6384 -0.6673 -0.3245 C.ar 1 UNK 0.0357 21 C14 0.4421 3.3881 -0.1940 C.ar 1 UNK -0.0416 22 C15 -0.9307 3.3113 -0.3835 C.ar 1 UNK 0.0417 23 C16 -3.7819 -1.3752 0.0254 C.ar 1 UNK 0.1325 24 C17 -2.3542 -0.3898 -1.6562 C.ar 1 UNK -0.0498 25 C18 -4.6543 -1.8120 -0.9716 C.ar 1 UNK -0.0258 26 C19 -3.2267 -0.8267 -2.6530 C.ar 1 UNK -0.0610 27 C20 -4.3766 -1.5378 -2.3107 C.ar 1 UNK -0.0590 28 H 4.7143 -1.3729 0.1393 H 1 UNK 0.2034 29 H1 3.1360 -0.5951 1.8084 H 1 UNK 0.0521 30 H2 3.0487 0.9264 0.9279 H 1 UNK 0.0521 31 H3 2.4190 -1.7829 -0.1953 H 1 UNK 0.0830 32 H4 2.3156 -0.2612 -1.0605 H 1 UNK 0.0830 33 H5 4.6682 0.9918 0.1563 H 1 UNK 0.0812 34 H6 4.3478 0.9477 -1.5735 H 1 UNK 0.0812 35 H7 5.4782 -1.7347 -2.0531 H 1 UNK 0.0812 36 H8 3.9370 -1.1323 -2.6522 H 1 UNK 0.0812 37 H9 -0.8787 -1.0253 3.7422 H 1 UNK 0.0605 38 H10 -0.7947 0.5499 3.0390 H 1 UNK 0.0605 39 H11 2.1545 2.3798 0.4955 H 1 UNK 0.0637 40 H12 -2.6296 2.0881 -0.1801 H 1 UNK 0.0639 41 H13 6.8049 -0.1231 -0.2255 H 1 UNK 0.0281 42 H14 6.7087 1.3607 -1.1431 H 1 UNK 0.0281 43 H15 6.4764 -0.1765 -1.9408 H 1 UNK 0.0281 44 H16 4.3138 -3.5709 -0.9457 H 1 UNK 0.0281 45 H17 3.9739 -3.5670 -2.6596 H 1 UNK 0.0281 46 H18 2.7847 -2.9615 -1.5317 H 1 UNK 0.0281 47 H19 0.9531 4.2422 -0.4669 H 1 UNK 0.0633 48 H20 -1.5025 0.1365 -1.9063 H 1 UNK 0.0625 49 H21 -5.5053 -2.3381 -0.7184 H 1 UNK 0.0646 50 H22 -3.0213 -0.6237 -3.6438 H 1 UNK 0.0618 51 H23 -5.0220 -1.8611 -3.0482 H 1 UNK 0.0618 @BOND 1 1 22 1 2 2 23 1 3 3 13 2 4 4 7 1 5 4 9 1 6 4 13 am 7 5 8 1 8 5 10 1 9 5 11 1 10 6 14 2 11 6 15 1 12 7 8 1 13 9 12 ar 14 9 16 ar 15 10 18 1 16 11 19 1 17 12 14 1 18 12 17 ar 19 13 15 1 20 14 20 1 21 16 21 ar 22 17 22 ar 23 20 23 ar 24 20 24 ar 25 21 22 ar 26 23 25 ar 27 24 26 ar 28 25 27 ar 29 26 27 ar 30 5 28 1 31 7 29 1 32 7 30 1 33 8 31 1 34 8 32 1 35 10 33 1 36 10 34 1 37 11 35 1 38 11 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 18 41 1 44 18 42 1 45 18 43 1 46 19 44 1 47 19 45 1 48 19 46 1 49 21 47 1 50 24 48 1 51 25 49 1 52 26 50 1 53 27 51 1