@MOLECULE FDBD00107 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2981 0.5146 1.9018 O.3 1 UNK -0.3730 2 O1 -0.6056 -0.5514 0.0813 O.3 1 UNK -0.4570 3 O2 -0.3139 0.1400 2.2604 O.2 1 UNK -0.2472 4 N -4.2761 -0.1695 -0.2597 N.4 1 UNK 0.2432 5 C 1.6582 1.3110 -0.2435 C.3 1 UNK 0.0026 6 C1 0.9626 2.5430 0.3513 C.3 1 UNK -0.0467 7 C2 3.1172 1.6260 -0.5997 C.3 1 UNK -0.0467 8 C3 1.5815 0.1296 0.7219 C.3 1 UNK 0.1901 9 C4 1.0722 3.7533 -0.5731 C.3 1 UNK -0.0527 10 C5 3.2232 2.8381 -1.5224 C.3 1 UNK -0.0527 11 C6 2.5232 4.0581 -0.9319 C.3 1 UNK -0.0530 12 C7 2.2006 -1.1809 0.2444 C.ar 1 UNK -0.0051 13 C8 -2.8421 0.0621 -0.5664 C.3 1 UNK 0.0047 14 C9 0.1231 -0.0799 1.1372 C.2 1 UNK 0.3442 15 C10 -4.6548 -1.6366 -0.5037 C.3 1 UNK -0.0331 16 C11 -4.5805 0.1648 1.2068 C.3 1 UNK -0.0331 17 C12 -1.9900 -0.7970 0.3469 C.3 1 UNK 0.1322 18 C13 -5.1711 0.7083 -1.1452 C.3 1 UNK -0.0412 19 C14 2.1272 -1.5371 -1.1023 C.ar 1 UNK -0.0553 20 C15 2.8404 -2.0225 1.1544 C.ar 1 UNK -0.0553 21 C16 -4.4373 -1.9714 -1.9631 C.3 1 UNK -0.0244 22 C17 -4.2888 1.6286 1.4551 C.3 1 UNK -0.0244 23 C18 2.6933 -2.7348 -1.5389 C.ar 1 UNK -0.0614 24 C19 3.4065 -3.2202 0.7177 C.ar 1 UNK -0.0614 25 C20 3.3329 -3.5763 -0.6290 C.ar 1 UNK -0.0617 26 H 3.2317 0.6578 1.6808 H 1 UNK 0.2113 27 H1 1.1465 1.0426 -1.1441 H 1 UNK 0.0337 28 H2 1.4195 2.7803 1.2893 H 1 UNK 0.0269 29 H3 -0.0745 2.3123 0.4780 H 1 UNK 0.0269 30 H4 3.5453 0.7774 -1.0911 H 1 UNK 0.0269 31 H5 3.6415 1.8489 0.3060 H 1 UNK 0.0269 32 H6 0.6501 4.6048 -0.0814 H 1 UNK 0.0265 33 H7 0.5439 3.5322 -1.4770 H 1 UNK 0.0265 34 H8 2.7706 2.5994 -2.4621 H 1 UNK 0.0265 35 H9 4.2594 3.0746 -1.6456 H 1 UNK 0.0265 36 H10 3.0430 4.3627 -0.0477 H 1 UNK 0.0265 37 H11 2.5303 4.8363 -1.6662 H 1 UNK 0.0265 38 H12 -2.6052 1.0938 -0.4104 H 1 UNK 0.0849 39 H13 -2.6472 -0.1959 -1.5864 H 1 UNK 0.0849 40 H14 -5.6837 -1.7871 -0.2517 H 1 UNK 0.0812 41 H15 -4.0449 -2.2709 0.1050 H 1 UNK 0.0812 42 H16 -3.9668 -0.4356 1.8454 H 1 UNK 0.0812 43 H17 -5.6106 -0.0364 1.4147 H 1 UNK 0.0812 44 H18 -2.2055 -0.5553 1.3667 H 1 UNK 0.0752 45 H19 -2.2085 -1.8294 0.1702 H 1 UNK 0.0752 46 H20 -4.9760 0.4922 -2.1748 H 1 UNK 0.0778 47 H21 -4.9627 1.7398 -0.9515 H 1 UNK 0.0778 48 H22 -6.1986 0.5049 -0.9266 H 1 UNK 0.0778 49 H23 1.6540 -0.9144 -1.7756 H 1 UNK 0.0621 50 H24 2.8949 -1.7590 2.1507 H 1 UNK 0.0621 51 H25 -5.0481 -1.3359 -2.5697 H 1 UNK 0.0281 52 H26 -4.7021 -2.9933 -2.1379 H 1 UNK 0.0281 53 H27 -3.4079 -1.8218 -2.2138 H 1 UNK 0.0281 54 H28 -3.2583 1.8273 1.2466 H 1 UNK 0.0281 55 H29 -4.4979 1.8656 2.4774 H 1 UNK 0.0281 56 H30 -4.9039 2.2281 0.8170 H 1 UNK 0.0281 57 H31 2.6389 -2.9983 -2.5352 H 1 UNK 0.0618 58 H32 3.8798 -3.8429 1.3909 H 1 UNK 0.0618 59 H33 3.7517 -4.4624 -0.9520 H 1 UNK 0.0618 @BOND 1 1 8 1 2 2 14 1 3 2 17 1 4 3 14 2 5 4 13 1 6 4 15 1 7 4 16 1 8 4 18 1 9 5 6 1 10 5 7 1 11 5 8 1 12 6 9 1 13 7 10 1 14 8 12 1 15 8 14 1 16 9 11 1 17 10 11 1 18 12 19 ar 19 12 20 ar 20 13 17 1 21 15 21 1 22 16 22 1 23 19 23 ar 24 20 24 ar 25 23 25 ar 26 24 25 ar 27 1 26 1 28 5 27 1 29 6 28 1 30 6 29 1 31 7 30 1 32 7 31 1 33 9 32 1 34 9 33 1 35 10 34 1 36 10 35 1 37 11 36 1 38 11 37 1 39 13 38 1 40 13 39 1 41 15 40 1 42 15 41 1 43 16 42 1 44 16 43 1 45 17 44 1 46 17 45 1 47 18 46 1 48 18 47 1 49 18 48 1 50 19 49 1 51 20 50 1 52 21 51 1 53 21 52 1 54 21 53 1 55 22 54 1 56 22 55 1 57 22 56 1 58 23 57 1 59 24 58 1 60 25 59 1