@MOLECULE FDBD01032 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.3967 3.4459 -0.4365 S.3 1 UNK -0.1637 2 N 1.5653 -1.4515 -0.2280 N.4 1 UNK 0.2378 3 N1 -4.4146 -0.9214 0.2440 N.4 1 UNK 0.2296 4 C -0.0294 0.4787 -0.4812 C.3 1 UNK 0.0058 5 C1 0.2032 -0.9765 0.1199 C.3 1 UNK -0.0173 6 C2 1.0564 1.4382 0.0243 C.3 1 UNK -0.0364 7 C3 2.4502 0.8773 -0.2662 C.3 1 UNK 0.0087 8 C4 2.5938 -0.5387 0.3022 C.3 1 UNK -0.0280 9 C5 -0.9181 -1.9920 -0.3268 C.3 1 UNK -0.0013 10 C6 -1.4404 0.9684 -0.2001 C.3 1 UNK -0.0247 11 C7 -2.2725 -1.4102 -0.1064 C.3 1 UNK 0.0124 12 C8 -2.4317 -0.0111 -0.0608 C.3 1 UNK 0.0131 13 C9 1.8376 -2.8074 0.2582 C.3 1 UNK -0.0319 14 C10 3.5290 1.7992 0.3018 C.3 1 UNK 0.0011 15 C11 -3.7631 0.2897 0.1564 C.3 1 UNK -0.0190 16 C12 -1.8776 2.2981 -0.1388 C.3 1 UNK -0.0491 17 C13 -3.5192 -1.9590 0.0828 C.3 1 UNK -0.0299 18 C14 3.2001 -3.2848 -0.2383 C.3 1 UNK -0.0153 19 C15 -4.2043 1.6093 0.2421 C.3 1 UNK -0.0094 20 C16 -3.2292 2.6069 0.0854 C.3 1 UNK -0.0477 21 C17 3.4976 -4.6991 0.2352 C.3 1 UNK -0.0605 22 C18 4.7702 4.2402 0.4309 C.3 1 UNK -0.0181 23 H 1.6031 -1.4675 -1.2472 H 1 UNK 0.2036 24 H1 -5.1260 -0.9744 -0.4850 H 1 UNK 0.2016 25 H2 -4.8501 -0.9984 1.1631 H 1 UNK 0.2016 26 H3 0.0599 0.4391 -1.5467 H 1 UNK 0.0358 27 H4 0.1307 -0.9175 1.1858 H 1 UNK 0.0854 28 H5 0.9441 1.5712 1.0801 H 1 UNK 0.0275 29 H6 0.9501 2.3755 -0.4808 H 1 UNK 0.0275 30 H7 2.5769 0.8252 -1.3274 H 1 UNK 0.0361 31 H8 3.5600 -0.9188 0.0435 H 1 UNK 0.0817 32 H9 2.4722 -0.4834 1.3638 H 1 UNK 0.0817 33 H10 -0.8250 -2.8919 0.2445 H 1 UNK 0.0324 34 H11 -0.7983 -2.2006 -1.3694 H 1 UNK 0.0324 35 H12 -0.6511 1.5946 0.1603 H 1 UNK 0.0310 36 H13 -1.7633 -2.3458 -0.2078 H 1 UNK 0.0359 37 H14 -1.4991 0.4867 -0.2265 H 1 UNK 0.0363 38 H15 1.0787 -3.4704 -0.1015 H 1 UNK 0.0814 39 H16 1.8403 -2.7994 1.3282 H 1 UNK 0.0814 40 H17 3.4056 1.8763 1.3619 H 1 UNK 0.0381 41 H18 4.4917 1.3912 0.0745 H 1 UNK 0.0381 42 H19 -4.5660 0.9813 0.3045 H 1 UNK 0.0853 43 H20 -1.6140 2.7481 -1.0731 H 1 UNK 0.0268 44 H21 -1.4037 2.6602 0.7496 H 1 UNK 0.0268 45 H22 -3.7918 -2.5465 -0.7689 H 1 UNK 0.0817 46 H23 -3.5223 -2.5938 0.9442 H 1 UNK 0.0817 47 H24 3.9568 -2.6264 0.1341 H 1 UNK 0.0314 48 H25 3.1888 -3.2828 -1.3082 H 1 UNK 0.0314 49 H26 -4.6519 1.7406 1.2051 H 1 UNK 0.0320 50 H27 -4.8757 1.7376 -0.5811 H 1 UNK 0.0320 51 H28 -3.5420 3.2034 -0.7460 H 1 UNK 0.0267 52 H29 -3.2002 3.0476 1.0600 H 1 UNK 0.0267 53 H30 3.5131 -4.7213 1.3049 H 1 UNK 0.0232 54 H31 4.4500 -5.0085 -0.1418 H 1 UNK 0.0232 55 H32 2.7390 -5.3626 -0.1244 H 1 UNK 0.0232 56 H33 4.8515 5.2587 0.1131 H 1 UNK 0.0340 57 H34 5.6799 3.7232 0.2074 H 1 UNK 0.0340 58 H35 4.5919 4.2088 1.4855 H 1 UNK 0.0340 @BOND 1 1 14 1 2 1 22 1 3 2 5 1 4 2 8 1 5 2 13 1 6 3 15 1 7 3 17 1 8 4 5 1 9 4 6 1 10 4 10 1 11 5 9 1 12 6 7 1 13 7 8 1 14 7 14 1 15 9 11 1 16 10 12 1 17 10 16 1 18 11 12 1 19 11 17 1 20 12 15 1 21 13 18 1 22 15 19 1 23 16 20 1 24 18 21 1 25 19 20 1 26 2 23 1 27 3 24 1 28 3 25 1 29 4 26 1 30 5 27 1 31 6 28 1 32 6 29 1 33 7 30 1 34 8 31 1 35 8 32 1 36 9 33 1 37 9 34 1 38 10 35 1 39 11 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 16 43 1 47 16 44 1 48 17 45 1 49 17 46 1 50 18 47 1 51 18 48 1 52 19 49 1 53 19 50 1 54 20 51 1 55 20 52 1 56 21 53 1 57 21 54 1 58 21 55 1 59 22 56 1 60 22 57 1 61 22 58 1