@MOLECULE FDBD01317 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 I 3.5657 0.3083 -2.6174 I 1 UNK -0.0412 2 I1 -0.9849 1.3595 -1.5839 I 1 UNK -0.0412 3 I2 1.7423 -1.5392 2.9286 I 1 UNK -0.0418 4 I3 -4.0109 -3.1244 1.2854 I 1 UNK -0.0418 5 I4 3.2987 4.1536 2.1429 I 1 UNK -0.0431 6 I5 -6.3693 2.3411 1.1660 I 1 UNK -0.0431 7 O 3.9805 -2.9181 1.0586 O.2 1 UNK -0.2755 8 O1 -2.8090 -3.1819 -1.6997 O.2 1 UNK -0.2755 9 O2 2.7798 3.7344 -1.5186 O.co2 1 UNK -0.5446 10 O3 -3.0027 3.7243 0.3995 O.co2 1 UNK -0.5446 11 O4 4.9843 3.3715 -1.1001 O.co2 1 UNK -0.5446 12 O5 -4.0685 3.4021 -1.5822 O.co2 1 UNK -0.5446 13 N 2.5181 -1.6253 -0.2470 N.am 1 UNK -0.2838 14 N1 -1.6873 -1.5731 -0.4150 N.am 1 UNK -0.2838 15 C 1.4257 -4.6891 -0.0698 C.3 1 UNK -0.0443 16 C1 0.1363 -3.8585 0.0173 C.3 1 UNK -0.0443 17 C2 2.6526 -3.9843 -0.6437 C.3 1 UNK 0.0243 18 C3 -0.4570 -3.4437 -1.3310 C.3 1 UNK 0.0243 19 C4 3.1376 -2.7976 0.1760 C.2 1 UNK 0.2172 20 C5 -1.7943 -2.7305 -1.1748 C.2 1 UNK 0.2172 21 C6 2.7027 -0.3193 0.2634 C.ar 1 UNK 0.0606 22 C7 -2.7247 -0.6719 -0.0727 C.ar 1 UNK 0.0606 23 C8 3.1536 0.7057 -0.5680 C.ar 1 UNK 0.0454 24 C9 -2.6555 0.6650 -0.4642 C.ar 1 UNK 0.0454 25 C10 2.4302 -0.0592 1.6064 C.ar 1 UNK 0.0366 26 C11 -3.8206 -1.1285 0.6596 C.ar 1 UNK 0.0366 27 C12 3.3322 1.9910 -0.0565 C.ar 1 UNK 0.0254 28 C13 -3.6822 1.5456 -0.1233 C.ar 1 UNK 0.0254 29 C14 2.6087 1.2262 2.1179 C.ar 1 UNK -0.0330 30 C15 -4.8475 -0.2480 1.0003 C.ar 1 UNK -0.0330 31 C16 3.0598 2.2512 1.2865 C.ar 1 UNK 0.0243 32 C17 -4.7782 1.0890 0.6089 C.ar 1 UNK 0.0243 33 C18 3.8043 3.0741 -0.9199 C.2 1 UNK 0.0737 34 C19 -3.6204 2.9500 -0.5294 C.2 1 UNK 0.0737 35 H 1.8764 -1.7157 -0.9881 H 1 UNK 0.1549 36 H1 -0.7892 -1.3544 -0.0762 H 1 UNK 0.1549 37 H2 1.2228 -5.5409 -0.6848 H 1 UNK 0.0270 38 H3 1.6810 -4.9227 0.9427 H 1 UNK 0.0270 39 H4 0.3507 -2.9698 0.5733 H 1 UNK 0.0270 40 H5 -0.5932 -4.4861 0.4851 H 1 UNK 0.0270 41 H6 2.4093 -3.6355 -1.6256 H 1 UNK 0.0358 42 H7 3.4461 -4.7021 -0.6403 H 1 UNK 0.0358 43 H8 -0.6010 -4.3196 -1.9285 H 1 UNK 0.0358 44 H9 0.2261 -2.7640 -1.7960 H 1 UNK 0.0358 45 H10 2.4070 1.4188 3.1115 H 1 UNK 0.0639 46 H11 -5.6584 -0.5858 1.5419 H 1 UNK 0.0639 @BOND 1 1 23 1 2 2 24 1 3 3 25 1 4 4 26 1 5 5 31 1 6 6 32 1 7 7 19 2 8 8 20 2 9 9 33 ar 10 10 34 ar 11 11 33 ar 12 12 34 ar 13 13 19 am 14 13 21 1 15 14 20 am 16 14 22 1 17 15 16 1 18 15 17 1 19 16 18 1 20 17 19 1 21 18 20 1 22 21 23 ar 23 21 25 ar 24 22 24 ar 25 22 26 ar 26 23 27 ar 27 24 28 ar 28 25 29 ar 29 26 30 ar 30 27 31 ar 31 27 33 1 32 28 32 ar 33 28 34 1 34 29 31 ar 35 30 32 ar 36 13 35 1 37 14 36 1 38 15 37 1 39 15 38 1 40 16 39 1 41 16 40 1 42 17 41 1 43 17 42 1 44 18 43 1 45 18 44 1 46 29 45 1 47 30 46 1