@MOLECULE FDBD02114 39 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0075 0.3449 -0.6186 C.3 1 UNK -0.0305 2 C1 1.6240 -1.1362 -0.6095 C.3 1 UNK 0.0913 3 O 0.1906 -1.2638 -0.4158 O.3 1 UNK -0.4503 4 C2 -0.3129 -2.5115 -0.3832 C.2 1 UNK 0.4090 5 O1 0.4248 -3.4677 -0.5130 O.2 1 UNK -0.2258 6 N -1.6356 -2.7001 -0.2066 N.am 1 UNK -0.2099 7 C3 -2.5254 -1.5468 -0.0500 C.3 1 UNK 0.0141 8 C4 -2.1398 -3.9495 -0.1740 C.2 1 UNK 0.2344 9 O2 -1.4035 -4.9039 -0.3035 O.2 1 UNK -0.2742 10 C5 -3.6189 -4.1603 0.0235 C.3 1 UNK 0.0794 11 S -3.9820 -5.9376 0.0211 S.3 1 UNK -0.0645 12 P -3.3919 -6.5475 1.9639 P.3 1 UNK 0.2296 13 S1 -1.6487 -5.9761 2.2916 S.2 1 UNK 0.0032 14 O3 -4.3832 -5.8990 3.0542 O.3 1 UNK -0.3236 15 C6 -4.7963 -4.5316 3.0145 C.3 1 UNK 0.0525 16 C7 -5.5926 -4.2024 4.2788 C.3 1 UNK -0.0411 17 O4 -3.4586 -8.1529 2.0657 O.3 1 UNK -0.3236 18 C8 -2.4873 -9.0119 1.4650 C.3 1 UNK 0.0525 19 C9 -2.8485 -10.4704 1.7533 C.3 1 UNK -0.0411 20 H 3.0638 0.4390 -0.7613 H 1 UNK 0.0262 21 H1 1.7327 0.7902 0.3147 H 1 UNK 0.0262 22 H2 1.4943 0.8413 -1.4155 H 1 UNK 0.0262 23 H3 2.1372 -1.6326 0.1874 H 1 UNK 0.0695 24 H4 1.8989 -1.5816 -1.5428 H 1 UNK 0.0695 25 H5 -1.9525 -0.6446 -0.1023 H 1 UNK 0.0434 26 H6 -3.0176 -1.6023 0.8984 H 1 UNK 0.0434 27 H7 -3.2560 -1.5512 -0.8318 H 1 UNK 0.0434 28 H8 -4.1560 -3.6855 -0.7708 H 1 UNK 0.0476 29 H9 -3.9177 -3.7365 0.9594 H 1 UNK 0.0476 30 H10 -5.4108 -4.3695 2.1537 H 1 UNK 0.0561 31 H11 -3.9342 -3.9000 2.9614 H 1 UNK 0.0561 32 H12 -6.4547 -4.8340 4.3319 H 1 UNK 0.0252 33 H13 -5.9019 -3.1785 4.2490 H 1 UNK 0.0252 34 H14 -4.9781 -4.3645 5.1396 H 1 UNK 0.0252 35 H15 -1.5211 -8.7968 1.8712 H 1 UNK 0.0561 36 H16 -2.4737 -8.8502 0.4074 H 1 UNK 0.0561 37 H17 -2.8621 -10.6321 2.8109 H 1 UNK 0.0252 38 H18 -2.1212 -11.1136 1.3035 H 1 UNK 0.0252 39 H19 -3.8147 -10.6856 1.3471 H 1 UNK 0.0252 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 am 6 6 7 1 7 6 8 am 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 12 13 2 13 12 14 1 14 12 17 1 15 14 15 1 16 15 16 1 17 17 18 1 18 18 19 1 19 1 20 1 20 1 21 1 21 1 22 1 22 2 23 1 23 2 24 1 24 7 25 1 25 7 26 1 26 7 27 1 27 10 28 1 28 10 29 1 29 15 30 1 30 15 31 1 31 16 32 1 32 16 33 1 33 16 34 1 34 18 35 1 35 18 36 1 36 19 37 1 37 19 38 1 38 19 39 1