@MOLECULE FDBD03011 43 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0176 1.4478 0.0100 C.3 1 UNK 0.0833 2 O 0.0021 -0.0041 0.0020 O.3 1 UNK -0.4534 3 C1 0.6001 -0.6015 -1.0458 C.2 1 UNK 0.4065 4 O1 1.0921 0.0718 -1.9293 O.2 1 UNK -0.2260 5 N 0.6531 -1.9464 -1.1146 N.am 1 UNK -0.2207 6 C2 1.2676 -2.5602 -2.1912 C.ar 1 UNK 0.2134 7 N1 1.8321 -1.9354 -3.1909 N.ar 1 UNK -0.2137 8 C3 2.3373 -2.8391 -4.0724 C.ar 1 UNK 0.0914 9 C4 3.0240 -2.7165 -5.2827 C.ar 1 UNK -0.0342 10 C5 3.4166 -3.8470 -5.9641 C.ar 1 UNK -0.0596 11 C6 3.1353 -5.1070 -5.4577 C.ar 1 UNK -0.0597 12 C7 2.4577 -5.2445 -4.2633 C.ar 1 UNK -0.0355 13 C8 2.0554 -4.1174 -3.5648 C.ar 1 UNK 0.0792 14 N2 1.3810 -3.9164 -2.3670 N.ar 1 UNK -0.2341 15 C9 0.9231 -4.8730 -1.5353 C.2 1 UNK 0.3215 16 O2 1.6342 -5.2956 -0.6452 O.2 1 UNK -0.2491 17 N3 -0.3236 -5.3608 -1.6909 N.am 1 UNK -0.2968 18 C10 -0.8214 -6.4006 -0.7869 C.3 1 UNK 0.0133 19 C11 -2.2525 -6.7744 -1.1783 C.3 1 UNK -0.0373 20 C12 -2.7724 -7.8603 -0.2342 C.3 1 UNK -0.0507 21 C13 -4.2034 -8.2341 -0.6256 C.3 1 UNK -0.0402 22 C14 -4.7233 -9.3200 0.3185 C.3 1 UNK 0.0348 23 C15 -6.1001 -9.6797 -0.0581 C.1 1 UNK 0.0625 24 N4 -7.1627 -9.9572 -0.3488 N.1 1 UNK -0.1966 25 H 1.0050 1.8251 0.0023 H 1 UNK 0.0661 26 H1 -0.5448 1.8089 -0.8731 H 1 UNK 0.0661 27 H2 -0.5278 1.7993 0.9068 H 1 UNK 0.0661 28 H3 0.2603 -2.4840 -0.4092 H 1 UNK 0.1610 29 H4 3.2460 -1.7383 -5.6829 H 1 UNK 0.0639 30 H5 3.9472 -3.7517 -6.8999 H 1 UNK 0.0618 31 H6 3.4482 -5.9860 -6.0015 H 1 UNK 0.0618 32 H7 2.2412 -6.2283 -3.8740 H 1 UNK 0.0639 33 H8 -0.8913 -5.0235 -2.4014 H 1 UNK 0.1504 34 H9 -0.1831 -7.2812 -0.8594 H 1 UNK 0.0462 35 H10 -0.8106 -6.0274 0.2372 H 1 UNK 0.0462 36 H11 -2.8908 -5.8938 -1.1058 H 1 UNK 0.0280 37 H12 -2.2633 -7.1476 -2.2024 H 1 UNK 0.0280 38 H13 -2.1341 -8.7409 -0.3067 H 1 UNK 0.0266 39 H14 -2.7615 -7.4871 0.7899 H 1 UNK 0.0266 40 H15 -4.8417 -7.3535 -0.5531 H 1 UNK 0.0275 41 H16 -4.2143 -8.6073 -1.6497 H 1 UNK 0.0275 42 H17 -4.0850 -10.2006 0.2459 H 1 UNK 0.0418 43 H18 -4.7125 -8.9468 1.3425 H 1 UNK 0.0418 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 3 4 2 7 3 5 am 8 5 6 1 9 5 28 1 10 6 14 ar 11 6 7 ar 12 7 8 ar 13 8 13 ar 14 8 9 ar 15 9 10 ar 16 9 29 1 17 10 11 ar 18 10 30 1 19 11 12 ar 20 11 31 1 21 12 13 ar 22 12 32 1 23 13 14 ar 24 14 15 am 25 15 16 2 26 15 17 am 27 17 18 1 28 17 33 1 29 18 19 1 30 18 34 1 31 18 35 1 32 19 20 1 33 19 36 1 34 19 37 1 35 20 21 1 36 20 38 1 37 20 39 1 38 21 22 1 39 21 40 1 40 21 41 1 41 22 23 1 42 22 42 1 43 22 43 1 44 23 24 3