@MOLECULE FDBD01890 42 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6616 1.6296 0.3277 C.2 1 UNK -0.1012 2 C1 -0.6886 0.3216 0.2602 C.2 1 UNK -0.0740 3 C2 0.5775 -0.4446 -0.0245 C.3 1 UNK 0.0304 4 N 0.7975 -1.4380 1.0351 N.pl3 1 UNK -0.3220 5 C3 -0.2477 -2.4700 1.0143 C.3 1 UNK 0.0304 6 C4 -0.2456 -3.2136 2.3251 C.2 1 UNK -0.0740 7 C5 -1.3453 -3.2982 3.0319 C.2 1 UNK -0.1012 8 C6 2.0695 -2.0104 0.9293 C.ar 1 UNK 0.0363 9 C7 2.4856 -2.5610 -0.2758 C.ar 1 UNK -0.0257 10 C8 1.5671 -2.5416 -1.4704 C.3 1 UNK -0.0378 11 C9 3.7414 -3.1260 -0.3793 C.ar 1 UNK -0.0145 12 C10 4.5871 -3.1436 0.7200 C.ar 1 UNK 0.1338 13 C11 4.1724 -2.5938 1.9241 C.ar 1 UNK -0.0145 14 C12 2.9191 -2.0234 2.0278 C.ar 1 UNK -0.0257 15 C13 2.4687 -1.4262 3.3361 C.3 1 UNK -0.0378 16 O 5.8237 -3.7006 0.6173 O.3 1 UNK -0.4115 17 C14 5.9915 -4.9211 1.1609 C.2 1 UNK 0.4053 18 O1 5.0387 -5.5157 1.6250 O.2 1 UNK -0.2260 19 N1 7.2161 -5.4832 1.1903 N.am 1 UNK -0.2839 20 C15 7.3986 -6.8110 1.7817 C.3 1 UNK 0.0032 21 H 0.2681 2.1588 0.1792 H 1 UNK 0.0532 22 H1 -1.5698 2.1789 0.5273 H 1 UNK 0.0532 23 H2 -1.6182 -0.2077 0.4086 H 1 UNK 0.0582 24 H3 0.4870 -0.9518 -0.9850 H 1 UNK 0.0507 25 H4 1.4205 0.2457 -0.0561 H 1 UNK 0.0507 26 H5 -1.2196 -1.9999 0.8648 H 1 UNK 0.0507 27 H6 -0.0527 -3.1682 0.2002 H 1 UNK 0.0507 28 H7 0.6626 -3.6767 2.6817 H 1 UNK 0.0582 29 H8 -1.3438 -3.8310 3.9713 H 1 UNK 0.0532 30 H9 -2.2534 -2.8351 2.6752 H 1 UNK 0.0532 31 H10 1.7389 -1.6321 -2.0460 H 1 UNK 0.0278 32 H11 1.7670 -3.4111 -2.0966 H 1 UNK 0.0278 33 H12 0.5311 -2.5676 -1.1326 H 1 UNK 0.0278 34 H13 4.0650 -3.5545 -1.3163 H 1 UNK 0.0657 35 H14 4.8315 -2.6080 2.7795 H 1 UNK 0.0657 36 H15 2.7504 -0.3738 3.3712 H 1 UNK 0.0278 37 H16 1.3858 -1.5156 3.4226 H 1 UNK 0.0278 38 H17 2.9441 -1.9573 4.1607 H 1 UNK 0.0278 39 H18 7.9766 -5.0085 0.8198 H 1 UNK 0.1517 40 H19 7.0945 -6.7876 2.8281 H 1 UNK 0.0427 41 H20 6.7890 -7.5359 1.2423 H 1 UNK 0.0427 42 H21 8.4482 -7.0974 1.7147 H 1 UNK 0.0427 @BOND 1 1 2 2 2 1 21 1 3 1 22 1 4 2 3 1 5 2 23 1 6 3 4 1 7 3 24 1 8 3 25 1 9 4 5 1 10 4 8 1 11 5 6 1 12 5 26 1 13 5 27 1 14 6 7 2 15 6 28 1 16 7 29 1 17 7 30 1 18 8 14 ar 19 8 9 ar 20 9 10 1 21 9 11 ar 22 10 31 1 23 10 32 1 24 10 33 1 25 11 12 ar 26 11 34 1 27 12 13 ar 28 12 16 1 29 13 14 ar 30 13 35 1 31 14 15 1 32 15 36 1 33 15 37 1 34 15 38 1 35 16 17 1 36 17 18 2 37 17 19 am 38 19 20 1 39 19 39 1 40 20 40 1 41 20 41 1 42 20 42 1