@MOLECULE FDBD00953 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 2.5484 5.8098 0.4442 Cl 1 UNK -0.0835 2 O 2.2768 -4.5023 -0.1075 O.3 1 UNK -0.4951 3 N -5.0265 -0.4495 0.3391 N.4 1 UNK 0.2348 4 N1 -0.4000 -0.2074 -0.3382 N.pl3 1 UNK -0.3402 5 N2 3.5942 0.8453 0.3734 N.ar 1 UNK -0.2465 6 C -1.1155 0.2327 -1.4883 C.3 1 UNK 0.0180 7 C1 -2.6274 0.1250 -1.2476 C.3 1 UNK -0.0300 8 C2 -3.1033 1.0099 -0.0888 C.3 1 UNK -0.0109 9 C3 -4.6200 0.9268 0.0795 C.3 1 UNK -0.0319 10 C4 0.9546 0.1493 -0.0980 C.ar 1 UNK 0.0460 11 C5 -0.6916 -0.6188 -2.6806 C.3 1 UNK -0.0467 12 C6 -6.4788 -0.5359 0.5013 C.3 1 UNK -0.0348 13 C7 -4.3508 -0.9709 1.5284 C.3 1 UNK -0.0348 14 C8 1.9258 -0.8507 0.0139 C.ar 1 UNK 0.0253 15 C9 1.3045 1.4977 0.0261 C.ar 1 UNK 0.0219 16 C10 3.2518 -0.4520 0.2531 C.ar 1 UNK 0.0737 17 C11 2.6548 1.8046 0.2647 C.ar 1 UNK 0.0748 18 C12 -7.2008 0.0006 -0.7230 C.3 1 UNK -0.0245 19 C13 -4.7147 -2.4255 1.7731 C.3 1 UNK -0.0245 20 C14 1.6023 -2.2135 -0.1063 C.ar 1 UNK -0.0090 21 C15 0.3492 2.5235 -0.0818 C.ar 1 UNK -0.0494 22 C16 4.2232 -1.4431 0.3654 C.ar 1 UNK -0.0322 23 C17 3.0094 3.1452 0.3894 C.ar 1 UNK -0.0173 24 C18 2.5923 -3.1847 0.0101 C.ar 1 UNK 0.1208 25 C19 3.9053 -2.7983 0.2465 C.ar 1 UNK -0.0179 26 C20 0.7297 3.8559 0.0467 C.ar 1 UNK -0.0426 27 C21 2.0627 4.1671 0.2827 C.ar 1 UNK 0.0430 28 C22 3.3443 -5.4408 0.0225 C.3 1 UNK 0.0788 29 H -4.7555 -1.0184 -0.4630 H 1 UNK 0.2033 30 H1 -0.8615 -0.7808 0.3156 H 1 UNK 0.1464 31 H2 -0.8911 1.2596 -1.6884 H 1 UNK 0.0495 32 H3 -2.8671 -0.8932 -1.0224 H 1 UNK 0.0285 33 H4 -3.1221 0.4591 -2.1356 H 1 UNK 0.0285 34 H5 -2.8289 2.0247 -0.2884 H 1 UNK 0.0317 35 H6 -2.6418 0.6661 0.8133 H 1 UNK 0.0317 36 H7 -4.9181 1.5438 0.9013 H 1 UNK 0.0814 37 H8 -5.0888 1.2638 -0.8213 H 1 UNK 0.0814 38 H9 -0.9151 -1.6463 -2.4825 H 1 UNK 0.0247 39 H10 0.3602 -0.5074 -2.8425 H 1 UNK 0.0247 40 H11 -1.2225 -0.3001 -3.5532 H 1 UNK 0.0247 41 H12 -6.7692 0.0372 1.3569 H 1 UNK 0.0812 42 H13 -6.7451 -1.5644 0.6283 H 1 UNK 0.0812 43 H14 -4.6426 -0.3903 2.3785 H 1 UNK 0.0812 44 H15 -3.2940 -0.9073 1.3732 H 1 UNK 0.0812 45 H16 -6.9454 1.0299 -0.8651 H 1 UNK 0.0281 46 H17 -8.2576 -0.0884 -0.5813 H 1 UNK 0.0281 47 H18 -6.9078 -0.5618 -1.5848 H 1 UNK 0.0281 48 H19 -5.7699 -2.5076 1.9306 H 1 UNK 0.0281 49 H20 -4.1961 -2.7822 2.6384 H 1 UNK 0.0281 50 H21 -4.4344 -3.0112 0.9226 H 1 UNK 0.0281 51 H22 0.6252 -2.4953 -0.2818 H 1 UNK 0.0661 52 H23 -0.6399 2.2871 -0.2573 H 1 UNK 0.0625 53 H24 5.2027 -1.1697 0.5409 H 1 UNK 0.0640 54 H25 3.9964 3.3902 0.5651 H 1 UNK 0.0653 55 H26 4.6456 -3.5119 0.3343 H 1 UNK 0.0655 56 H27 0.0267 4.6072 -0.0328 H 1 UNK 0.0632 57 H28 2.9619 -6.4338 -0.0901 H 1 UNK 0.0660 58 H29 3.7932 -5.3388 0.9884 H 1 UNK 0.0660 59 H30 4.0780 -5.2534 -0.7334 H 1 UNK 0.0660 @BOND 1 1 27 1 2 2 24 1 3 2 28 1 4 3 9 1 5 3 12 1 6 3 13 1 7 4 6 1 8 4 10 1 9 5 16 ar 10 5 17 ar 11 6 7 1 12 6 11 1 13 7 8 1 14 8 9 1 15 10 14 ar 16 10 15 ar 17 12 18 1 18 13 19 1 19 14 16 ar 20 14 20 ar 21 15 17 ar 22 15 21 ar 23 16 22 ar 24 17 23 ar 25 20 24 ar 26 21 26 ar 27 22 25 ar 28 23 27 ar 29 24 25 ar 30 26 27 ar 31 3 29 1 32 4 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 8 34 1 37 8 35 1 38 9 36 1 39 9 37 1 40 11 38 1 41 11 39 1 42 11 40 1 43 12 41 1 44 12 42 1 45 13 43 1 46 13 44 1 47 18 45 1 48 18 46 1 49 18 47 1 50 19 48 1 51 19 49 1 52 19 50 1 53 20 51 1 54 21 52 1 55 22 53 1 56 23 54 1 57 25 55 1 58 26 56 1 59 28 57 1 60 28 58 1 61 28 59 1