@MOLECULE FDBD01442 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1104 1.9615 1.4785 O.3 1 UNK -0.4254 2 O1 -1.9890 1.4748 -4.5093 O.3 1 UNK -0.3904 3 O2 1.6409 2.9656 0.2987 O.2 1 UNK -0.2501 4 N 2.3861 -1.9345 -1.0415 N.4 1 UNK 0.2388 5 C 1.5119 -1.0152 -0.3208 C.3 1 UNK -0.0306 6 C1 0.0959 -1.5951 -0.2274 C.3 1 UNK -0.0016 7 C2 -0.8841 -0.6359 0.5243 C.3 1 UNK 0.0175 8 C3 2.8364 -3.0134 -0.1609 C.3 1 UNK -0.0264 9 C4 3.5355 -1.2205 -1.5996 C.3 1 UNK -0.0264 10 C5 -1.1948 0.6170 -0.2262 C.ar 1 UNK 0.0029 11 C6 -2.1528 -1.3586 1.0045 C.ar 1 UNK -0.0397 12 C7 3.9880 -2.5332 0.7179 C.3 1 UNK -0.0218 13 C8 3.2537 -4.2151 -1.0026 C.3 1 UNK -0.0218 14 C9 3.1361 -0.5682 -2.9194 C.3 1 UNK -0.0218 15 C10 4.0454 -0.1804 -0.6061 C.3 1 UNK -0.0218 16 C11 -0.8022 1.8604 0.2694 C.ar 1 UNK 0.1354 17 C12 -1.8849 0.5347 -1.4357 C.ar 1 UNK -0.0491 18 C13 -2.6465 -2.4504 0.2901 C.ar 1 UNK -0.0580 19 C14 -2.8110 -0.9226 2.1544 C.ar 1 UNK -0.0580 20 C15 -2.1824 1.6957 -2.1492 C.ar 1 UNK -0.0217 21 C16 -1.0999 3.0215 -0.4441 C.ar 1 UNK -0.0186 22 C17 -1.7900 2.9390 -1.6534 C.ar 1 UNK -0.0529 23 C18 -3.7981 -3.1059 0.7259 C.ar 1 UNK -0.0615 24 C19 -3.9624 -1.5781 2.5902 C.ar 1 UNK -0.0615 25 C20 -2.9201 1.6081 -3.4424 C.3 1 UNK 0.0692 26 C21 -4.4560 -2.6697 1.8759 C.ar 1 UNK -0.0617 27 C22 1.1445 2.5515 1.3384 C.2 1 UNK 0.3149 28 C23 1.8069 2.6119 2.7049 C.3 1 UNK 0.0512 29 C24 2.7219 3.8284 2.7789 C.3 1 UNK -0.0525 30 C25 2.5813 1.3270 2.9867 C.3 1 UNK -0.0525 31 H -2.4677 1.4177 -5.3510 H 1 UNK 0.2098 32 H1 1.8549 -2.3441 -1.8099 H 1 UNK 0.2038 33 H2 1.4774 -0.0801 -0.8398 H 1 UNK 0.0815 34 H3 1.8959 -0.8705 0.6674 H 1 UNK 0.0815 35 H4 0.1383 -2.5262 0.2982 H 1 UNK 0.0326 36 H5 -0.2722 -1.7279 -1.2233 H 1 UNK 0.0326 37 H6 -0.3544 -0.3176 1.3978 H 1 UNK 0.0400 38 H7 2.0337 -3.3075 0.4826 H 1 UNK 0.0846 39 H8 4.3298 -1.9128 -1.7858 H 1 UNK 0.0846 40 H9 4.8072 -2.2318 0.0991 H 1 UNK 0.0284 41 H10 4.3010 -3.3285 1.3617 H 1 UNK 0.0284 42 H11 3.6632 -1.7026 1.3091 H 1 UNK 0.0284 43 H12 4.0568 -3.9344 -1.6515 H 1 UNK 0.0284 44 H13 2.4216 -4.5469 -1.5878 H 1 UNK 0.0284 45 H14 3.5754 -5.0070 -0.3589 H 1 UNK 0.0284 46 H15 2.3415 0.1274 -2.7474 H 1 UNK 0.0284 47 H16 2.8084 -1.3216 -3.6049 H 1 UNK 0.0284 48 H17 3.9783 -0.0528 -3.3318 H 1 UNK 0.0284 49 H18 3.2695 0.5272 -0.4008 H 1 UNK 0.0284 50 H19 4.8899 0.3274 -1.0232 H 1 UNK 0.0284 51 H20 4.3344 -0.6664 0.3023 H 1 UNK 0.0284 52 H21 -2.1753 -0.3851 -1.8026 H 1 UNK 0.0625 53 H22 -2.1598 -2.7731 -0.5608 H 1 UNK 0.0620 54 H23 -2.4460 -0.1148 2.6828 H 1 UNK 0.0620 55 H24 -0.8096 3.9414 -0.0773 H 1 UNK 0.0654 56 H25 -2.0103 3.7979 -2.1814 H 1 UNK 0.0622 57 H26 -4.1633 -3.9136 0.1975 H 1 UNK 0.0618 58 H27 -4.4491 -1.2555 3.4411 H 1 UNK 0.0618 59 H28 -3.5689 0.7574 -3.4264 H 1 UNK 0.0607 60 H29 -3.5007 2.4957 -3.5835 H 1 UNK 0.0607 61 H30 -5.3080 -3.1547 2.1983 H 1 UNK 0.0618 62 H31 1.0499 2.7057 3.4553 H 1 UNK 0.0408 63 H32 3.4845 3.7470 2.0327 H 1 UNK 0.0237 64 H33 3.1742 3.8761 3.7474 H 1 UNK 0.0237 65 H34 2.1494 4.7162 2.6085 H 1 UNK 0.0237 66 H35 3.3483 1.2042 2.2509 H 1 UNK 0.0237 67 H36 1.9131 0.4921 2.9482 H 1 UNK 0.0237 68 H37 3.0252 1.3840 3.9586 H 1 UNK 0.0237 @BOND 1 1 16 1 2 1 27 1 3 2 25 1 4 3 27 2 5 4 5 1 6 4 8 1 7 4 9 1 8 5 6 1 9 6 7 1 10 7 10 1 11 7 11 1 12 8 12 1 13 8 13 1 14 9 14 1 15 9 15 1 16 10 16 ar 17 10 17 ar 18 11 18 ar 19 11 19 ar 20 16 21 ar 21 17 20 ar 22 18 23 ar 23 19 24 ar 24 20 22 ar 25 20 25 1 26 21 22 ar 27 23 26 ar 28 24 26 ar 29 27 28 1 30 28 29 1 31 28 30 1 32 2 31 1 33 4 32 1 34 5 33 1 35 5 34 1 36 6 35 1 37 6 36 1 38 7 37 1 39 8 38 1 40 9 39 1 41 12 40 1 42 12 41 1 43 12 42 1 44 13 43 1 45 13 44 1 46 13 45 1 47 14 46 1 48 14 47 1 49 14 48 1 50 15 49 1 51 15 50 1 52 15 51 1 53 17 52 1 54 18 53 1 55 19 54 1 56 21 55 1 57 22 56 1 58 23 57 1 59 24 58 1 60 25 59 1 61 25 60 1 62 26 61 1 63 28 62 1 64 29 63 1 65 29 64 1 66 29 65 1 67 30 66 1 68 30 67 1 69 30 68 1