@MOLECULE FDBD03102 47 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0653 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0559 3 C2 0.7421 -0.5109 1.2415 C.3 1 UNK -0.0533 4 C3 0.7628 -2.0407 1.2331 C.3 1 UNK -0.0530 5 C4 1.5028 -2.5476 2.4727 C.3 1 UNK -0.0525 6 C5 1.5236 -4.0774 2.4642 C.3 1 UNK -0.0463 7 C6 2.2636 -4.5842 3.7038 C.3 1 UNK -0.0151 8 C7 1.4799 -4.1970 4.9595 C.3 1 UNK -0.0583 9 C8 2.3915 -6.0842 3.6341 C.ar 1 UNK 0.0023 10 C9 1.2585 -6.8725 3.5708 C.ar 1 UNK -0.0244 11 C10 1.3752 -8.2485 3.5064 C.ar 1 UNK 0.1289 12 C11 2.6255 -8.8395 3.5057 C.ar 1 UNK 0.0024 13 C12 3.7611 -8.0557 3.5694 C.ar 1 UNK 0.1707 14 C13 3.6468 -6.6742 3.6278 C.ar 1 UNK 0.1661 15 O 4.7628 -5.9008 3.6901 O.3 1 UNK -0.4153 16 C14 5.2951 -5.4995 2.5192 C.2 1 UNK 0.3735 17 O1 4.7770 -5.8310 1.4708 O.2 1 UNK -0.2369 18 S 6.7421 -4.4942 2.5077 S.3 1 UNK -0.0472 19 C15 6.9681 -4.2891 0.7236 C.3 1 UNK -0.0075 20 N 5.0990 -8.6889 3.5691 N.pl3 1 UNK 0.0601 21 O2 5.1989 -9.9015 3.5127 O.2 1 UNK -0.1260 22 O3 6.1001 -7.9973 3.6253 O.2 1 UNK -0.1260 23 N1 0.1599 -9.0908 3.4385 N.pl3 1 UNK 0.0565 24 O4 -0.9418 -8.5714 3.4395 O.2 1 UNK -0.1261 25 O5 0.2615 -10.3032 3.3818 O.2 1 UNK -0.1261 26 H -0.5362 1.8802 -0.8565 H 1 UNK 0.0230 27 H1 0.9851 1.8962 0.0028 H 1 UNK 0.0230 28 H2 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 29 H3 0.5029 -0.3492 -0.8783 H 1 UNK 0.0263 30 H4 -1.0017 -0.3745 0.0096 H 1 UNK 0.0263 31 H5 0.2413 -0.1658 2.1218 H 1 UNK 0.0265 32 H6 1.7459 -0.1406 1.2339 H 1 UNK 0.0265 33 H7 1.2636 -2.3858 0.3528 H 1 UNK 0.0265 34 H8 -0.2410 -2.4110 1.2407 H 1 UNK 0.0265 35 H9 1.0019 -2.2026 3.3530 H 1 UNK 0.0265 36 H10 2.5066 -2.1772 2.4652 H 1 UNK 0.0265 37 H11 2.0245 -4.4224 1.5839 H 1 UNK 0.0271 38 H12 0.5198 -4.4478 2.4717 H 1 UNK 0.0271 39 H13 3.2383 -4.1444 3.7420 H 1 UNK 0.0347 40 H14 0.5052 -4.6367 4.9213 H 1 UNK 0.0236 41 H15 1.3890 -3.1320 5.0090 H 1 UNK 0.0236 42 H16 1.9974 -4.5515 5.8264 H 1 UNK 0.0236 43 H17 0.3244 -6.4337 3.5716 H 1 UNK 0.0644 44 H18 2.7101 -9.8669 3.4575 H 1 UNK 0.0664 45 H19 7.8317 -3.6844 0.5407 H 1 UNK 0.0346 46 H20 6.1049 -3.8134 0.3071 H 1 UNK 0.0346 47 H21 7.1014 -5.2482 0.2684 H 1 UNK 0.0346 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 14 ar 10 9 10 ar 11 10 11 ar 12 11 12 ar 13 11 23 1 14 12 13 ar 15 13 14 ar 16 13 20 1 17 14 15 1 18 15 16 1 19 16 17 2 20 16 18 1 21 18 19 1 22 20 21 2 23 20 22 2 24 23 24 2 25 23 25 2 26 1 26 1 27 1 27 1 28 1 28 1 29 2 29 1 30 2 30 1 31 3 31 1 32 3 32 1 33 4 33 1 34 4 34 1 35 5 35 1 36 5 36 1 37 6 37 1 38 6 38 1 39 7 39 1 40 8 40 1 41 8 41 1 42 8 42 1 43 10 43 1 44 12 44 1 45 19 45 1 46 19 46 1 47 19 47 1