@MOLECULE FDBD02984 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0148 1.4634 0.0077 C.3 1 UNK 0.1676 2 N 0.0218 -0.0011 -0.0003 N.ar 1 UNK -0.0780 3 C1 -0.0701 -0.7951 -1.0977 C.ar 1 UNK 0.3971 4 C2 0.0058 -2.0852 -0.6827 C.ar 1 UNK 0.0811 5 C3 0.1491 -2.0790 0.7178 C.ar 1 UNK 0.1133 6 C4 0.2690 -3.2764 1.5865 C.ar 1 UNK 0.0039 7 C5 0.2503 -4.5516 1.0255 C.ar 1 UNK -0.0511 8 C6 0.3621 -5.6619 1.8373 C.ar 1 UNK -0.0428 9 C7 0.4927 -5.5102 3.2072 C.ar 1 UNK 0.0410 10 C8 0.5113 -4.2453 3.7694 C.ar 1 UNK -0.0428 11 C9 0.4064 -3.1287 2.9652 C.ar 1 UNK -0.0511 12 Cl 0.6329 -6.9108 4.2233 Cl 1 UNK -0.0835 13 N1 0.1637 -0.8268 1.1221 N.ar 1 UNK -0.1598 14 O -0.2128 -0.3741 -2.3805 O.3 1 UNK -0.4370 15 C10 -0.3642 1.0315 -2.5889 C.3 1 UNK 0.1210 16 C11 -0.3642 1.3229 -4.0674 C.ar 1 UNK -0.0023 17 C12 -0.2357 0.2914 -4.9755 C.ar 1 UNK -0.0548 18 C13 -0.2361 0.5574 -6.3328 C.ar 1 UNK -0.0614 19 C14 -0.3650 1.8574 -6.7883 C.ar 1 UNK -0.0612 20 C15 -0.4936 2.8966 -5.8897 C.ar 1 UNK -0.0535 21 C16 -0.4997 2.6338 -4.5206 C.ar 1 UNK -0.0067 22 C17 -0.6381 3.7464 -3.5498 C.2 1 UNK 0.0382 23 C18 -1.8450 4.3375 -3.3629 C.2 1 UNK 0.0937 24 O1 -2.9175 3.9138 -4.0590 O.2 1 UNK -0.5019 25 C19 -4.1764 4.5922 -3.8079 C.3 1 UNK 0.0780 26 C20 0.5293 4.2076 -2.7920 C.2 1 UNK 0.0272 27 O2 0.4158 5.1200 -1.9959 O.co2 1 UNK -0.8003 28 O3 1.7289 3.6201 -2.9778 O.2 1 UNK -0.5147 29 C21 2.8403 4.1282 -2.1937 C.3 1 UNK 0.0766 30 H 0.0790 1.8170 1.0132 H 1 UNK 0.1017 31 H1 -0.9439 1.7992 -0.4033 H 1 UNK 0.1017 32 H2 0.7938 1.8436 -0.5810 H 1 UNK 0.1017 33 H3 -0.0344 -2.9214 -1.2861 H 1 UNK 0.0743 34 H4 0.1530 -4.6656 0.0044 H 1 UNK 0.0625 35 H5 0.3483 -6.6068 1.4226 H 1 UNK 0.0632 36 H6 0.6038 -4.1372 4.7915 H 1 UNK 0.0632 37 H7 0.4297 -2.1859 3.3842 H 1 UNK 0.0625 38 H8 0.2582 -0.5226 2.0536 H 1 UNK 0.2367 39 H9 0.4472 1.5506 -2.1231 H 1 UNK 0.0750 40 H10 -1.2890 1.3580 -2.1610 H 1 UNK 0.0750 41 H11 -0.1391 -0.6801 -4.6411 H 1 UNK 0.0622 42 H12 -0.1399 -0.2168 -7.0084 H 1 UNK 0.0618 43 H13 -0.3650 2.0503 -7.8021 H 1 UNK 0.0618 44 H14 -0.5851 3.8664 -6.2304 H 1 UNK 0.0624 45 H15 -1.9413 5.1117 -2.6874 H 1 UNK 0.1030 46 H16 -4.9414 4.1625 -4.4202 H 1 UNK 0.0660 47 H17 -4.0743 5.6314 -4.0414 H 1 UNK 0.0660 48 H18 -4.4412 4.4826 -2.7770 H 1 UNK 0.0660 49 H19 3.7270 3.5799 -2.4347 H 1 UNK 0.0659 50 H20 2.6231 4.0152 -1.1521 H 1 UNK 0.0659 51 H21 2.9899 5.1640 -2.4165 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 13 ar 3 2 3 ar 4 3 4 ar 5 3 14 1 6 4 5 ar 7 5 6 1 8 5 13 ar 9 6 11 ar 10 6 7 ar 11 7 8 ar 12 8 9 ar 13 9 10 ar 14 9 12 1 15 10 11 ar 16 14 15 1 17 15 16 1 18 16 21 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 22 1 25 22 23 0 26 22 26 2 27 23 24 2 28 24 25 1 29 26 27 0 30 26 28 1 31 28 29 1 32 1 30 1 33 1 31 1 34 1 32 1 35 4 33 1 36 7 34 1 37 8 35 1 38 10 36 1 39 11 37 1 40 13 38 1 41 15 39 1 42 15 40 1 43 17 41 1 44 18 42 1 45 19 43 1 46 20 44 1 47 23 45 1 48 25 46 1 49 25 47 1 50 25 48 1 51 29 49 1 52 29 50 1 53 29 51 1