@MOLECULE FDBD00428 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3796 -1.2239 1.0717 O.2 1 UNK -0.2743 2 O1 6.3239 0.3031 -0.4428 O.3 1 UNK -0.3693 3 N -1.2534 -1.9228 1.7375 N.am 1 UNK -0.3004 4 N1 3.6899 0.6692 0.5723 N.4 1 UNK 0.2385 5 C 0.0099 -0.1145 1.0497 C.3 1 UNK 0.0016 6 C1 -1.3532 -0.0420 0.2550 C.3 1 UNK 0.1012 7 C2 0.1182 -1.5697 1.4878 C.3 1 UNK 0.0193 8 C3 1.2801 0.3535 0.3491 C.3 1 UNK -0.0067 9 C4 -2.1611 -1.1017 1.0666 C.2 1 UNK 0.2308 10 C5 -1.1785 -0.4809 -1.2211 C.ar 1 UNK -0.0278 11 C6 -2.0936 1.3137 0.3446 C.ar 1 UNK -0.0278 12 C7 2.4891 0.1986 1.2596 C.3 1 UNK -0.0314 13 C8 -1.5996 -3.1039 2.4993 C.3 1 UNK 0.0119 14 C9 -1.0615 0.4796 -2.2267 C.ar 1 UNK -0.0572 15 C10 -3.3789 1.4367 -0.1767 C.ar 1 UNK -0.0572 16 C11 -1.1383 -1.8375 -1.5468 C.ar 1 UNK -0.0572 17 C12 -1.4709 2.4045 0.9457 C.ar 1 UNK -0.0572 18 C13 3.9436 -0.1251 -0.6378 C.3 1 UNK -0.0078 19 C14 4.8567 0.6145 1.4640 C.3 1 UNK -0.0078 20 C15 -1.5897 -4.3460 1.6325 C.3 1 UNK -0.0493 21 C16 5.2077 0.3756 -1.3307 C.3 1 UNK 0.0878 22 C17 6.0987 1.0989 0.7214 C.3 1 UNK 0.0878 23 C18 -0.9044 0.0845 -3.5553 C.ar 1 UNK -0.0615 24 C19 -4.0461 2.6590 -0.0962 C.ar 1 UNK -0.0615 25 C20 -0.9810 -2.2325 -2.8753 C.ar 1 UNK -0.0615 26 C21 -2.1382 3.6267 1.0265 C.ar 1 UNK -0.0615 27 C22 -0.8641 -1.2716 -3.8796 C.ar 1 UNK -0.0617 28 C23 -3.4259 3.7539 0.5056 C.ar 1 UNK -0.0617 29 H 3.5336 1.6393 0.2988 H 1 UNK 0.2035 30 H1 -0.0390 0.5969 1.8474 H 1 UNK 0.0334 31 H2 0.5388 -2.1764 0.7132 H 1 UNK 0.0468 32 H3 0.7565 -1.7138 2.3344 H 1 UNK 0.0468 33 H4 1.1731 1.3837 0.0806 H 1 UNK 0.0320 34 H5 1.4302 -0.2460 -0.5244 H 1 UNK 0.0320 35 H6 2.3401 0.7745 2.1490 H 1 UNK 0.0814 36 H7 2.6095 -0.8336 1.5145 H 1 UNK 0.0814 37 H8 -2.5781 -2.9764 2.9130 H 1 UNK 0.0462 38 H9 -0.8720 -3.2291 3.2738 H 1 UNK 0.0462 39 H10 -1.0912 1.4830 -1.9873 H 1 UNK 0.0621 40 H11 -3.8366 0.6257 -0.6214 H 1 UNK 0.0621 41 H12 -1.2250 -2.5489 -0.8042 H 1 UNK 0.0621 42 H13 -0.5181 2.3089 1.3304 H 1 UNK 0.0621 43 H14 3.1122 -0.0312 -1.3048 H 1 UNK 0.0837 44 H15 4.0737 -1.1516 -0.3652 H 1 UNK 0.0837 45 H16 5.0081 -0.3935 1.7893 H 1 UNK 0.0837 46 H17 4.6835 1.2449 2.3111 H 1 UNK 0.0837 47 H18 -2.3120 -4.2407 0.8501 H 1 UNK 0.0245 48 H19 -1.8328 -5.1998 2.2299 H 1 UNK 0.0245 49 H20 -0.6173 -4.4750 1.2051 H 1 UNK 0.0245 50 H21 5.4017 -0.2302 -2.1911 H 1 UNK 0.0613 51 H22 5.0627 1.3945 -1.6236 H 1 UNK 0.0613 52 H23 5.9598 2.1190 0.4298 H 1 UNK 0.0613 53 H24 6.9460 1.0141 1.3693 H 1 UNK 0.0613 54 H25 -0.8180 0.7955 -4.2983 H 1 UNK 0.0618 55 H26 -4.9987 2.7533 -0.4819 H 1 UNK 0.0618 56 H27 -0.9511 -3.2358 -3.1152 H 1 UNK 0.0618 57 H28 -1.6792 4.4368 1.4716 H 1 UNK 0.0618 58 H29 -0.7478 -1.5639 -4.8625 H 1 UNK 0.0618 59 H30 -3.9197 4.6581 0.5655 H 1 UNK 0.0618 @BOND 1 1 9 2 2 2 21 1 3 2 22 1 4 3 7 1 5 3 9 am 6 3 13 1 7 4 12 1 8 4 18 1 9 4 19 1 10 5 6 1 11 5 7 1 12 5 8 1 13 6 9 1 14 6 10 1 15 6 11 1 16 8 12 1 17 10 14 ar 18 10 16 ar 19 11 15 ar 20 11 17 ar 21 13 20 1 22 14 23 ar 23 15 24 ar 24 16 25 ar 25 17 26 ar 26 18 21 1 27 19 22 1 28 23 27 ar 29 24 28 ar 30 25 27 ar 31 26 28 ar 32 4 29 1 33 5 30 1 34 7 31 1 35 7 32 1 36 8 33 1 37 8 34 1 38 12 35 1 39 12 36 1 40 13 37 1 41 13 38 1 42 14 39 1 43 15 40 1 44 16 41 1 45 17 42 1 46 18 43 1 47 18 44 1 48 19 45 1 49 19 46 1 50 20 47 1 51 20 48 1 52 20 49 1 53 21 50 1 54 21 51 1 55 22 52 1 56 22 53 1 57 23 54 1 58 24 55 1 59 25 56 1 60 26 57 1 61 27 58 1 62 28 59 1