@MOLECULE FDBD03084 46 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.5879 3.0250 0.8504 C.3 1 UNK -0.0116 2 C1 -1.0589 1.6920 0.3175 C.3 1 UNK 0.2143 3 C2 -2.1788 0.6913 0.1932 C.ar 1 UNK 0.0048 4 C3 -2.8823 0.5867 -0.9926 C.ar 1 UNK -0.0509 5 C4 -3.9090 -0.3301 -1.1094 C.ar 1 UNK -0.0189 6 C5 -4.2341 -1.1464 -0.0354 C.ar 1 UNK 0.1285 7 C6 -3.5266 -1.0393 1.1534 C.ar 1 UNK -0.0189 8 C7 -2.4973 -0.1246 1.2631 C.ar 1 UNK -0.0509 9 O -5.2439 -2.0487 -0.1476 O.3 1 UNK -0.4560 10 C8 -5.8375 -2.1943 -1.3613 C.ar 1 UNK 0.1284 11 C9 -5.3309 -3.1044 -2.2780 C.ar 1 UNK -0.0193 12 C10 -5.9361 -3.2505 -3.5111 C.ar 1 UNK -0.0583 13 C11 -7.0455 -2.4903 -3.8324 C.ar 1 UNK -0.0615 14 C12 -7.5521 -1.5823 -2.9209 C.ar 1 UNK -0.0583 15 C13 -6.9546 -1.4371 -1.6839 C.ar 1 UNK -0.0193 16 C14 -0.3660 1.8889 -1.0160 C.2 1 UNK 0.2893 17 O1 -0.8577 2.3050 -2.0430 O.2 1 UNK -0.2687 18 N 0.9114 1.5045 -0.8211 N.am 1 UNK -0.1185 19 C15 1.1105 1.0983 0.4385 C.2 1 UNK 0.4277 20 O2 2.1791 0.7039 0.8601 O.2 1 UNK -0.2241 21 O3 -0.0038 1.1757 1.1840 O.3 1 UNK -0.4283 22 N1 1.9030 1.5266 -1.8105 N.pl3 1 UNK -0.2525 23 C16 2.8869 2.5178 -1.7911 C.ar 1 UNK 0.0452 24 C17 2.8870 3.4790 -0.7882 C.ar 1 UNK -0.0394 25 C18 3.8616 4.4573 -0.7717 C.ar 1 UNK -0.0600 26 C19 4.8364 4.4811 -1.7523 C.ar 1 UNK -0.0616 27 C20 4.8392 3.5257 -2.7521 C.ar 1 UNK -0.0600 28 C21 3.8709 2.5412 -2.7713 C.ar 1 UNK -0.0394 29 H -2.0729 2.8659 1.7908 H 1 UNK 0.0276 30 H1 -2.2879 3.4354 0.1529 H 1 UNK 0.0276 31 H2 -0.7728 3.7060 0.9802 H 1 UNK 0.0276 32 H3 -2.6401 1.1941 -1.7910 H 1 UNK 0.0623 33 H4 -4.4338 -0.4078 -1.9946 H 1 UNK 0.0654 34 H5 -3.7691 -1.6425 1.9549 H 1 UNK 0.0654 35 H6 -1.9655 -0.0501 2.1444 H 1 UNK 0.0623 36 H7 -4.5027 -3.6717 -2.0388 H 1 UNK 0.0654 37 H8 -5.5599 -3.9276 -4.1931 H 1 UNK 0.0619 38 H9 -7.4962 -2.6008 -4.7542 H 1 UNK 0.0618 39 H10 -8.3773 -1.0126 -3.1649 H 1 UNK 0.0619 40 H11 -7.3387 -0.7661 -1.0004 H 1 UNK 0.0654 41 H12 1.9063 0.8435 -2.5194 H 1 UNK 0.1708 42 H13 2.1596 3.4620 -0.0563 H 1 UNK 0.0636 43 H14 3.8624 5.1714 -0.0267 H 1 UNK 0.0618 44 H15 5.5634 5.2134 -1.7379 H 1 UNK 0.0618 45 H16 5.5657 3.5484 -3.4847 H 1 UNK 0.0618 46 H17 3.8783 1.8237 -3.5130 H 1 UNK 0.0636 @BOND 1 1 2 1 2 2 21 1 3 2 3 1 4 2 16 1 5 3 8 ar 6 3 4 ar 7 4 5 ar 8 5 6 ar 9 6 7 ar 10 6 9 1 11 7 8 ar 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 14 15 ar 19 16 17 2 20 16 18 am 21 18 19 am 22 18 22 1 23 19 20 2 24 19 21 1 25 22 23 1 26 23 28 ar 27 23 24 ar 28 24 25 ar 29 25 26 ar 30 26 27 ar 31 27 28 ar 32 1 29 1 33 1 30 1 34 1 31 1 35 4 32 1 36 5 33 1 37 7 34 1 38 8 35 1 39 11 36 1 40 12 37 1 41 13 38 1 42 14 39 1 43 15 40 1 44 22 41 1 45 24 42 1 46 25 43 1 47 26 44 1 48 27 45 1 49 28 46 1