@MOLECULE FDBD00473 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 5.6865 1.6202 1.4891 Cl 1 UNK -0.0835 2 N -3.4381 1.1166 0.2312 N.4 1 UNK 0.2348 3 N1 0.0243 -1.8990 0.2448 N.pl3 1 UNK -0.3407 4 N2 2.3431 0.6111 -2.1920 N.ar 1 UNK -0.2548 5 C -2.3561 -1.5882 -0.2345 C.3 1 UNK -0.0300 6 C1 -2.6376 -1.0080 1.1570 C.3 1 UNK -0.0109 7 C2 -1.1696 -2.5616 -0.2376 C.3 1 UNK 0.0180 8 C3 -3.7816 0.0041 1.1095 C.3 1 UNK -0.0319 9 C4 -1.4510 -3.7668 0.6538 C.3 1 UNK -0.0467 10 C5 -2.2352 1.7991 0.7109 C.3 1 UNK -0.0348 11 C6 -4.5529 2.0603 0.1347 C.3 1 UNK -0.0348 12 C7 0.8066 -1.0680 -0.5369 C.ar 1 UNK 0.0380 13 C8 1.9736 -0.4264 -0.0486 C.ar 1 UNK 0.0213 14 C9 -1.8274 2.9196 -0.2307 C.3 1 UNK -0.0245 15 C10 -5.8132 1.3723 -0.3618 C.3 1 UNK -0.0245 16 C11 0.4406 -0.8402 -1.8716 C.ar 1 UNK -0.0221 17 C12 2.7133 0.4068 -0.9136 C.ar 1 UNK 0.0741 18 C13 2.3891 -0.6173 1.2801 C.ar 1 UNK -0.0494 19 C14 1.2278 -0.0082 -2.6416 C.ar 1 UNK 0.0300 20 C15 3.8547 1.0249 -0.4102 C.ar 1 UNK -0.0173 21 C16 3.5346 0.0133 1.7573 C.ar 1 UNK -0.0426 22 C17 4.2681 0.8352 0.9107 C.ar 1 UNK 0.0430 23 H -3.2494 0.7420 -0.6985 H 1 UNK 0.2033 24 H1 0.2938 -2.0481 1.1799 H 1 UNK 0.1464 25 H2 -2.1404 -0.7825 -0.9048 H 1 UNK 0.0285 26 H3 -3.2243 -2.1336 -0.5405 H 1 UNK 0.0285 27 H4 -1.7555 -0.5217 1.5179 H 1 UNK 0.0317 28 H5 -2.9188 -1.8087 1.8087 H 1 UNK 0.0317 29 H6 -1.0237 -2.8920 -1.2448 H 1 UNK 0.0495 30 H7 -4.6634 -0.4771 0.7410 H 1 UNK 0.0814 31 H8 -3.9541 0.3805 2.0962 H 1 UNK 0.0814 32 H9 -1.5972 -3.4386 1.6617 H 1 UNK 0.0247 33 H10 -0.6208 -4.4407 0.6150 H 1 UNK 0.0247 34 H11 -2.3324 -4.2666 0.3100 H 1 UNK 0.0247 35 H12 -1.4356 1.0913 0.7782 H 1 UNK 0.0812 36 H13 -2.4457 2.2226 1.6707 H 1 UNK 0.0812 37 H14 -4.2904 2.8422 -0.5469 H 1 UNK 0.0812 38 H15 -4.7454 2.4583 1.1091 H 1 UNK 0.0812 39 H16 -1.6129 2.5132 -1.1970 H 1 UNK 0.0281 40 H17 -0.9558 3.4079 0.1523 H 1 UNK 0.0281 41 H18 -2.6263 3.6269 -0.3106 H 1 UNK 0.0281 42 H19 -5.6382 0.9677 -1.3368 H 1 UNK 0.0281 43 H20 -6.6124 2.0823 -0.4084 H 1 UNK 0.0281 44 H21 -6.0766 0.5824 0.3101 H 1 UNK 0.0281 45 H22 -0.4006 -1.2859 -2.2700 H 1 UNK 0.0651 46 H23 1.8417 -1.2287 1.9059 H 1 UNK 0.0625 47 H24 0.9479 0.1515 -3.6220 H 1 UNK 0.0830 48 H25 4.4090 1.6382 -1.0280 H 1 UNK 0.0653 49 H26 3.8371 -0.1288 2.7337 H 1 UNK 0.0632 @BOND 1 1 22 1 2 2 8 1 3 2 10 1 4 2 11 1 5 3 7 1 6 3 12 1 7 4 17 ar 8 4 19 ar 9 5 6 1 10 5 7 1 11 6 8 1 12 7 9 1 13 10 14 1 14 11 15 1 15 12 13 ar 16 12 16 ar 17 13 17 ar 18 13 18 ar 19 16 19 ar 20 17 20 ar 21 18 21 ar 22 20 22 ar 23 21 22 ar 24 2 23 1 25 3 24 1 26 5 25 1 27 5 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 9 32 1 34 9 33 1 35 9 34 1 36 10 35 1 37 10 36 1 38 11 37 1 39 11 38 1 40 14 39 1 41 14 40 1 42 14 41 1 43 15 42 1 44 15 43 1 45 15 44 1 46 16 45 1 47 18 46 1 48 19 47 1 49 20 48 1 50 21 49 1