@MOLECULE FDBD00845 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1008 -0.8497 -0.4577 O.2 1 UNK -0.4391 2 O1 6.1955 0.1563 1.3706 O.co2 1 UNK -0.5498 3 O2 5.9584 0.2506 -0.8883 O.co2 1 UNK -0.5498 4 N 0.9204 1.4043 -0.4187 N.ar 1 UNK -0.2127 5 C -0.2053 -0.5331 -0.2366 C.ar 1 UNK 0.1630 6 C1 -0.3050 0.8320 -0.2142 C.ar 1 UNK 0.1172 7 C2 1.7103 0.3634 -0.5557 C.ar 1 UNK 0.1971 8 C3 3.1604 0.3385 -0.8005 C.3 1 UNK 0.0290 9 C4 -1.1016 -1.6435 -0.0904 C.ar 1 UNK 0.0195 10 C5 -1.5129 1.5810 -0.0082 C.ar 1 UNK 0.0041 11 C6 3.9839 0.3234 0.4997 C.3 1 UNK -0.0048 12 C7 -2.4408 -1.5252 -0.4773 C.ar 1 UNK -0.0510 13 C8 -0.6444 -2.8542 0.4412 C.ar 1 UNK -0.0510 14 C9 -1.8994 1.9398 1.2831 C.ar 1 UNK -0.0524 15 C10 -2.3000 1.9490 -1.0994 C.ar 1 UNK -0.0524 16 C11 -3.3123 -2.6048 -0.3344 C.ar 1 UNK -0.0611 17 C12 -1.5159 -3.9338 0.5839 C.ar 1 UNK -0.0611 18 C13 -3.0729 2.6670 1.4831 C.ar 1 UNK -0.0611 19 C14 -3.4734 2.6763 -0.8994 C.ar 1 UNK -0.0611 20 C15 5.4640 0.2364 0.2313 C.2 1 UNK 0.0422 21 C16 -2.8499 -3.8092 0.1960 C.ar 1 UNK -0.0617 22 C17 -3.8598 3.0353 0.3919 C.ar 1 UNK -0.0617 23 H 3.4271 1.2080 -1.3641 H 1 UNK 0.0363 24 H1 3.3821 -0.5627 -1.3331 H 1 UNK 0.0363 25 H2 3.6890 -0.5222 1.0852 H 1 UNK 0.0329 26 H3 3.7963 1.2396 1.0196 H 1 UNK 0.0329 27 H4 -2.7854 -0.6353 -0.8701 H 1 UNK 0.0625 28 H5 0.3421 -2.9489 0.7290 H 1 UNK 0.0625 29 H6 -1.3172 1.6673 2.0905 H 1 UNK 0.0624 30 H7 -2.0142 1.6832 -2.0547 H 1 UNK 0.0624 31 H8 -4.2994 -2.5125 -0.6211 H 1 UNK 0.0618 32 H9 -1.1737 -4.8248 0.9765 H 1 UNK 0.0618 33 H10 -3.3589 2.9325 2.4385 H 1 UNK 0.0618 34 H11 -4.0556 2.9487 -1.7068 H 1 UNK 0.0618 35 H12 -3.4947 -4.6080 0.3014 H 1 UNK 0.0618 36 H13 -4.7279 3.5734 0.5399 H 1 UNK 0.0618 @BOND 1 1 5 ar 2 1 7 ar 3 2 20 ar 4 3 20 ar 5 4 6 ar 6 4 7 ar 7 5 6 ar 8 5 9 1 9 6 10 1 10 7 8 1 11 8 11 1 12 9 12 ar 13 9 13 ar 14 10 14 ar 15 10 15 ar 16 11 20 1 17 12 16 ar 18 13 17 ar 19 14 18 ar 20 15 19 ar 21 16 21 ar 22 17 21 ar 23 18 22 ar 24 19 22 ar 25 8 23 1 26 8 24 1 27 11 25 1 28 11 26 1 29 12 27 1 30 13 28 1 31 14 29 1 32 15 30 1 33 16 31 1 34 17 32 1 35 18 33 1 36 19 34 1 37 21 35 1 38 22 36 1