@MOLECULE FDBD00759 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.4713 0.3139 1.5543 S.3 1 UNK -0.0857 2 N -3.6672 -0.3495 1.0656 N.4 1 UNK 0.2333 3 N1 0.3359 0.0037 -0.6836 N.pl3 1 UNK -0.2979 4 C -2.1206 0.2259 -0.5536 C.3 1 UNK 0.0200 5 C1 -3.4670 0.0405 -1.2576 C.3 1 UNK -0.0034 6 C2 -2.2630 -0.5860 0.7287 C.3 1 UNK -0.0276 7 C3 -4.4008 -0.5252 -0.1897 C.3 1 UNK -0.0317 8 C4 -0.9309 -0.1961 -1.3994 C.3 1 UNK 0.0252 9 C5 -4.1447 -1.2335 2.1182 C.3 1 UNK -0.0431 10 C6 1.1285 -1.1437 -0.4266 C.ar 1 UNK 0.0479 11 C7 0.7015 1.3356 -0.3629 C.ar 1 UNK 0.0479 12 C8 2.1456 -1.1200 0.5481 C.ar 1 UNK 0.0341 13 C9 1.6761 1.6047 0.6184 C.ar 1 UNK 0.0341 14 C10 0.9641 -2.3440 -1.1520 C.ar 1 UNK -0.0393 15 C11 0.1394 2.4464 -1.0292 C.ar 1 UNK -0.0393 16 C12 2.9340 -2.2582 0.7936 C.ar 1 UNK -0.0462 17 C13 2.0403 2.9274 0.9276 C.ar 1 UNK -0.0462 18 C14 1.7536 -3.4709 -0.9073 C.ar 1 UNK -0.0599 19 C15 0.5085 3.7588 -0.7215 C.ar 1 UNK -0.0599 20 C16 2.7376 -3.4291 0.0688 C.ar 1 UNK -0.0606 21 C17 1.4576 3.9995 0.2602 C.ar 1 UNK -0.0606 22 H -3.8045 0.5859 1.4485 H 1 UNK 0.2031 23 H1 -1.9102 1.2569 -0.3595 H 1 UNK 0.0370 24 H2 -3.3725 -0.6440 -2.0745 H 1 UNK 0.0322 25 H3 -3.8351 0.9584 -1.6661 H 1 UNK 0.0322 26 H4 -2.0711 -1.6247 0.5576 H 1 UNK 0.0818 27 H5 -1.5754 -0.3092 1.5004 H 1 UNK 0.0818 28 H6 -5.3234 0.0163 -0.1681 H 1 UNK 0.0814 29 H7 -4.6575 -1.5478 -0.3725 H 1 UNK 0.0814 30 H8 -1.0306 -1.2322 -1.6474 H 1 UNK 0.0472 31 H9 -0.9162 0.4072 -2.2830 H 1 UNK 0.0472 32 H10 -4.0394 -2.2510 1.8045 H 1 UNK 0.0777 33 H11 -5.1754 -1.0265 2.3175 H 1 UNK 0.0777 34 H12 -3.5704 -1.0730 3.0066 H 1 UNK 0.0777 35 H13 0.2391 -2.3905 -1.8850 H 1 UNK 0.0636 36 H14 -0.5652 2.2843 -1.7656 H 1 UNK 0.0636 37 H15 3.6666 -2.2245 1.5197 H 1 UNK 0.0629 38 H16 2.7478 3.1045 1.6578 H 1 UNK 0.0629 39 H17 1.6043 -4.3340 -1.4530 H 1 UNK 0.0618 40 H18 0.0748 4.5485 -1.2248 H 1 UNK 0.0618 41 H19 3.3198 -4.2604 0.2561 H 1 UNK 0.0618 42 H20 1.7297 4.9672 0.4940 H 1 UNK 0.0618 @BOND 1 1 12 1 2 1 13 1 3 2 6 1 4 2 7 1 5 2 9 1 6 3 8 1 7 3 10 1 8 3 11 1 9 4 5 1 10 4 6 1 11 4 8 1 12 5 7 1 13 10 12 ar 14 10 14 ar 15 11 13 ar 16 11 15 ar 17 12 16 ar 18 13 17 ar 19 14 18 ar 20 15 19 ar 21 16 20 ar 22 17 21 ar 23 18 20 ar 24 19 21 ar 25 2 22 1 26 4 23 1 27 5 24 1 28 5 25 1 29 6 26 1 30 6 27 1 31 7 28 1 32 7 29 1 33 8 30 1 34 8 31 1 35 9 32 1 36 9 33 1 37 9 34 1 38 14 35 1 39 15 36 1 40 16 37 1 41 17 38 1 42 18 39 1 43 19 40 1 44 20 41 1 45 21 42 1