@MOLECULE FDBD01062 63 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4299 1.1024 0.9024 O.2 1 UNK -0.2755 2 O1 7.1021 -1.2194 -0.2262 O.2 1 UNK -0.2708 3 N 5.3663 0.2925 -0.0743 N.am 1 UNK -0.3082 4 N1 -4.3175 -0.6786 -0.5924 N.am 1 UNK -0.3103 5 C -0.2754 1.4272 -0.4335 C.3 1 UNK -0.0318 6 C1 -1.3188 0.4372 0.1289 C.3 1 UNK -0.0179 7 C2 1.1287 1.2039 0.1391 C.3 1 UNK -0.0340 8 C3 1.5886 -0.2497 -0.2277 C.3 1 UNK -0.0274 9 C4 3.0488 -0.5338 0.2751 C.3 1 UNK 0.0078 10 C5 -2.5776 0.9648 -0.5947 C.3 1 UNK 0.0412 11 C6 -0.8892 -0.9799 -0.2748 C.3 1 UNK -0.0464 12 C7 0.5357 -1.3035 0.2120 C.3 1 UNK -0.0486 13 C8 -0.9453 2.7851 -0.2546 C.3 1 UNK -0.0487 14 C9 2.1199 2.2629 -0.3690 C.3 1 UNK -0.0480 15 C10 -2.4307 2.5004 -0.5420 C.3 1 UNK -0.0411 16 C11 3.9627 0.5671 -0.3350 C.3 1 UNK 0.0325 17 C12 3.5537 1.9794 0.0741 C.3 1 UNK -0.0334 18 C13 -1.4916 0.5120 1.6690 C.3 1 UNK -0.0586 19 C14 3.1217 -0.5676 1.8207 C.3 1 UNK -0.0541 20 C15 3.6075 -1.8618 -0.2186 C.2 1 UNK -0.0712 21 C16 -3.8723 0.4946 -0.0077 C.2 1 UNK 0.2170 22 C17 4.9092 -2.0551 -0.4805 C.2 1 UNK -0.0032 23 C18 5.9003 -0.9685 -0.2527 C.2 1 UNK 0.2369 24 C19 -5.5312 -1.3516 -0.1897 C.3 1 UNK 0.0262 25 C20 -5.7184 -2.6120 -1.0421 C.3 1 UNK -0.0442 26 C21 -5.4231 -1.7370 1.2893 C.3 1 UNK -0.0442 27 C22 -6.7241 -0.4109 -0.3951 C.3 1 UNK -0.0442 28 H 5.9495 1.0222 0.2365 H 1 UNK 0.1493 29 H1 -3.7813 -1.0735 -1.3176 H 1 UNK 0.1492 30 H2 -0.0347 1.3015 -1.4685 H 1 UNK 0.0309 31 H3 1.1036 1.3086 1.2037 H 1 UNK 0.0307 32 H4 1.6411 -0.3357 -1.2929 H 1 UNK 0.0312 33 H5 -2.6282 0.5857 -1.5940 H 1 UNK 0.0400 34 H6 -0.9179 -1.0603 -1.3414 H 1 UNK 0.0271 35 H7 -1.5632 -1.6752 0.1804 H 1 UNK 0.0271 36 H8 0.5272 -1.3497 1.2810 H 1 UNK 0.0268 37 H9 0.8174 -2.2366 -0.2294 H 1 UNK 0.0268 38 H10 -0.5524 3.4987 -0.9484 H 1 UNK 0.0268 39 H11 -0.7837 3.2022 0.7174 H 1 UNK 0.0268 40 H12 1.8257 3.2190 0.0108 H 1 UNK 0.0269 41 H13 2.0991 2.2422 -1.4386 H 1 UNK 0.0269 42 H14 -3.0425 2.9042 0.2375 H 1 UNK 0.0273 43 H15 -2.7415 2.9517 -1.4611 H 1 UNK 0.0273 44 H16 3.8238 0.5308 -1.3953 H 1 UNK 0.0507 45 H17 3.6197 2.0722 1.1380 H 1 UNK 0.0283 46 H18 4.2095 2.6825 -0.3954 H 1 UNK 0.0283 47 H19 -1.7910 1.5010 1.9467 H 1 UNK 0.0235 48 H20 -0.5629 0.2739 2.1441 H 1 UNK 0.0235 49 H21 -2.2401 -0.1873 1.9783 H 1 UNK 0.0235 50 H22 2.7379 0.3496 2.2160 H 1 UNK 0.0239 51 H23 4.1396 -0.6898 2.1272 H 1 UNK 0.0239 52 H24 2.5381 -1.3860 2.1875 H 1 UNK 0.0239 53 H25 2.9550 -2.6491 -0.3581 H 1 UNK 0.0580 54 H26 5.2266 -2.9673 -0.8439 H 1 UNK 0.0666 55 H27 -4.8850 -3.2674 -0.8975 H 1 UNK 0.0250 56 H28 -5.7819 -2.3382 -2.0745 H 1 UNK 0.0250 57 H29 -6.6189 -3.1102 -0.7492 H 1 UNK 0.0250 58 H30 -4.5893 -2.3933 1.4268 H 1 UNK 0.0250 59 H31 -6.3209 -2.2321 1.5954 H 1 UNK 0.0250 60 H32 -5.2836 -0.8548 1.8785 H 1 UNK 0.0250 61 H33 -6.7948 -0.1451 -1.4291 H 1 UNK 0.0250 62 H34 -6.5864 0.4731 0.1918 H 1 UNK 0.0250 63 H35 -7.6237 -0.9041 -0.0913 H 1 UNK 0.0250 @BOND 1 1 21 2 2 2 23 2 3 3 16 1 4 3 23 am 5 4 21 am 6 4 24 1 7 5 6 1 8 5 7 1 9 5 13 1 10 6 10 1 11 6 11 1 12 6 18 1 13 7 8 1 14 7 14 1 15 8 9 1 16 8 12 1 17 9 16 1 18 9 19 1 19 9 20 1 20 10 15 1 21 10 21 1 22 11 12 1 23 13 15 1 24 14 17 1 25 16 17 1 26 20 22 2 27 22 23 1 28 24 25 1 29 24 26 1 30 24 27 1 31 3 28 1 32 4 29 1 33 5 30 1 34 7 31 1 35 8 32 1 36 10 33 1 37 11 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 15 42 1 46 15 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 18 49 1 53 19 50 1 54 19 51 1 55 19 52 1 56 20 53 1 57 22 54 1 58 25 55 1 59 25 56 1 60 25 57 1 61 26 58 1 62 26 59 1 63 26 60 1 64 27 61 1 65 27 62 1 66 27 63 1