@MOLECULE FDBD01342 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 6.1463 3.9013 -0.5809 Cl 1 UNK -0.0835 2 O 0.6977 0.1386 -0.2664 O.3 1 UNK -0.3622 3 O1 -7.1674 1.8859 -1.8338 O.co2 1 UNK -0.5498 4 O2 -7.4835 -0.2947 -1.2823 O.co2 1 UNK -0.5498 5 N -3.2384 0.2154 1.1554 N.4 1 UNK 0.2354 6 N1 2.0798 -1.9767 -1.2946 N.ar 1 UNK -0.2569 7 C -0.4419 -0.2854 0.4707 C.3 1 UNK 0.0696 8 C1 -1.5819 -0.5757 -0.5004 C.3 1 UNK 0.0140 9 C2 -0.8557 0.7990 1.4616 C.3 1 UNK 0.0140 10 C3 -2.8818 -0.8807 0.2431 C.3 1 UNK -0.0295 11 C4 -2.1775 0.4515 2.1451 C.3 1 UNK -0.0295 12 C5 -4.5081 -0.0681 1.8241 C.3 1 UNK -0.0316 13 C6 -5.6196 -0.2569 0.7909 C.3 1 UNK -0.0074 14 C7 1.9059 -0.2366 0.3805 C.3 1 UNK 0.1257 15 C8 -5.8262 0.9815 -0.0759 C.3 1 UNK -0.0084 16 C9 2.9768 0.8065 0.1375 C.ar 1 UNK -0.0129 17 C10 2.3375 -1.6329 -0.0240 C.ar 1 UNK 0.0744 18 C11 3.9534 1.0068 1.0967 C.ar 1 UNK -0.0544 19 C12 2.9529 1.5361 -1.0378 C.ar 1 UNK -0.0544 20 C13 -6.9099 0.7726 -1.1044 C.2 1 UNK 0.0419 21 C14 2.9469 -2.4280 0.9165 C.ar 1 UNK -0.0375 22 C15 4.9387 1.9685 0.8732 C.ar 1 UNK -0.0430 23 C16 3.9383 2.4977 -1.2613 C.ar 1 UNK -0.0430 24 C17 3.3304 -3.7024 0.5139 C.ar 1 UNK -0.0585 25 C18 4.9313 2.7139 -0.3059 C.ar 1 UNK 0.0410 26 C19 2.4666 -3.2225 -1.6495 C.ar 1 UNK 0.0280 27 C20 3.0894 -4.1150 -0.7919 C.ar 1 UNK -0.0436 28 H -3.3434 1.0643 0.5997 H 1 UNK 0.2033 29 H1 -0.2065 -1.1733 1.0194 H 1 UNK 0.0600 30 H2 -1.3193 -1.4196 -1.1036 H 1 UNK 0.0342 31 H3 -1.7363 0.2913 -1.1082 H 1 UNK 0.0342 32 H4 -0.9671 1.7255 0.9380 H 1 UNK 0.0342 33 H5 -0.0976 0.8773 2.2126 H 1 UNK 0.0342 34 H6 -3.6692 -1.0129 -0.4692 H 1 UNK 0.0815 35 H7 -2.7431 -1.7715 0.8194 H 1 UNK 0.0815 36 H8 -2.0451 -0.4325 2.7332 H 1 UNK 0.0815 37 H9 -2.4670 1.2748 2.7641 H 1 UNK 0.0815 38 H10 -4.7588 0.7494 2.4673 H 1 UNK 0.0814 39 H11 -4.4078 -0.9665 2.3965 H 1 UNK 0.0814 40 H12 -6.5330 -0.4727 1.3047 H 1 UNK 0.0320 41 H13 -5.3320 -1.0612 0.1465 H 1 UNK 0.0320 42 H14 1.7367 -0.2749 1.4364 H 1 UNK 0.0713 43 H15 -4.9099 1.2081 -0.5798 H 1 UNK 0.0327 44 H16 -6.1246 1.7872 0.5619 H 1 UNK 0.0327 45 H17 3.9529 0.4517 1.9667 H 1 UNK 0.0622 46 H18 2.2152 1.3709 -1.7403 H 1 UNK 0.0622 47 H19 3.1126 -2.0941 1.8788 H 1 UNK 0.0636 48 H20 5.6732 2.1286 1.5802 H 1 UNK 0.0632 49 H21 3.9327 3.0492 -2.1336 H 1 UNK 0.0632 50 H22 3.7921 -4.3396 1.1816 H 1 UNK 0.0619 51 H23 2.2869 -3.5276 -2.6189 H 1 UNK 0.0829 52 H24 3.3657 -5.0563 -1.1122 H 1 UNK 0.0633 @BOND 1 1 25 1 2 2 7 1 3 2 14 1 4 3 20 ar 5 4 20 ar 6 5 10 1 7 5 11 1 8 5 12 1 9 6 17 ar 10 6 26 ar 11 7 8 1 12 7 9 1 13 8 10 1 14 9 11 1 15 12 13 1 16 13 15 1 17 14 16 1 18 14 17 1 19 15 20 1 20 16 18 ar 21 16 19 ar 22 17 21 ar 23 18 22 ar 24 19 23 ar 25 21 24 ar 26 22 25 ar 27 23 25 ar 28 24 27 ar 29 26 27 ar 30 5 28 1 31 7 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 9 33 1 36 10 34 1 37 10 35 1 38 11 36 1 39 11 37 1 40 12 38 1 41 12 39 1 42 13 40 1 43 13 41 1 44 14 42 1 45 15 43 1 46 15 44 1 47 18 45 1 48 19 46 1 49 21 47 1 50 22 48 1 51 23 49 1 52 24 50 1 53 26 51 1 54 27 52 1