@MOLECULE FDBD02980 50 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0184 1.5028 0.0103 C.3 1 UNK -0.0192 2 C1 0.0021 -0.0041 0.0020 C.2 1 UNK 0.0770 3 N 0.0216 -0.6591 1.1225 N.2 1 UNK -0.0896 4 O 0.0237 0.0423 2.3526 O.2 1 UNK -0.3888 5 C2 0.0461 -0.8038 3.5040 C.3 1 UNK 0.1435 6 C3 0.0464 0.0437 4.7502 C.ar 1 UNK 0.0000 7 C4 0.0210 1.4201 4.6504 C.ar 1 UNK -0.0547 8 C5 0.0207 2.1991 5.7932 C.ar 1 UNK -0.0614 9 C6 0.0459 1.6044 7.0421 C.ar 1 UNK -0.0612 10 C7 0.0719 0.2293 7.1540 C.ar 1 UNK -0.0535 11 C8 0.0665 -0.5610 6.0056 C.ar 1 UNK -0.0066 12 C9 0.0939 -2.0394 6.1194 C.2 1 UNK 0.0382 13 C10 -1.0236 -2.7119 6.4934 C.2 1 UNK 0.0937 14 O1 -2.1579 -2.0367 6.7614 O.2 1 UNK -0.5019 15 C11 -3.3144 -2.8211 7.1558 C.3 1 UNK 0.0780 16 C12 1.3286 -2.7744 5.8277 C.2 1 UNK 0.0272 17 O2 1.3511 -3.9868 5.9209 O.co2 1 UNK -0.8003 18 O3 2.4394 -2.1059 5.4559 O.2 1 UNK -0.5147 19 C13 3.6251 -2.8983 5.1828 C.3 1 UNK 0.0766 20 C14 -0.0001 -0.7286 -1.2689 C.2 1 UNK -0.0370 21 C15 0.0182 -2.0760 -1.2763 C.2 1 UNK -0.0528 22 C16 0.0160 -2.8052 -2.5552 C.ar 1 UNK -0.0249 23 C17 0.0008 -2.1028 -3.7642 C.ar 1 UNK -0.0532 24 C18 -0.0007 -2.7921 -4.9581 C.ar 1 UNK -0.0428 25 C19 0.0124 -4.1773 -4.9619 C.ar 1 UNK 0.0410 26 C20 0.0274 -4.8796 -3.7680 C.ar 1 UNK -0.0428 27 C21 0.0349 -4.2033 -2.5666 C.ar 1 UNK -0.0532 28 Cl 0.0092 -5.0371 -6.4700 Cl 1 UNK -0.0835 29 H -0.0136 1.8540 1.0210 H 1 UNK 0.0294 30 H1 -0.9016 1.8502 -0.4838 H 1 UNK 0.0294 31 H2 0.8454 1.8741 -0.5004 H 1 UNK 0.0294 32 H3 0.9279 -1.4095 3.4844 H 1 UNK 0.0775 33 H4 -0.8191 -1.4333 3.5009 H 1 UNK 0.0775 34 H5 0.0022 1.8688 3.7213 H 1 UNK 0.0622 35 H6 0.0016 3.2279 5.7140 H 1 UNK 0.0618 36 H7 0.0453 2.1903 7.8916 H 1 UNK 0.0618 37 H8 0.0953 -0.2132 8.0860 H 1 UNK 0.0624 38 H9 -1.0045 -3.7407 6.5725 H 1 UNK 0.1030 39 H10 -4.1425 -2.1686 7.3383 H 1 UNK 0.0660 40 H11 -3.0876 -3.3675 8.0474 H 1 UNK 0.0660 41 H12 -3.5653 -3.5053 6.3723 H 1 UNK 0.0660 42 H13 4.4292 -2.2513 4.9003 H 1 UNK 0.0659 43 H14 3.4210 -3.5826 4.3859 H 1 UNK 0.0659 44 H15 3.8988 -3.4449 6.0610 H 1 UNK 0.0659 45 H16 -0.0157 -0.2078 -2.1597 H 1 UNK 0.0637 46 H17 0.0338 -2.5967 -0.3854 H 1 UNK 0.0624 47 H18 -0.0093 -1.0709 -3.7627 H 1 UNK 0.0624 48 H19 -0.0116 -2.2749 -5.8511 H 1 UNK 0.0632 49 H20 0.0330 -5.9115 -3.7779 H 1 UNK 0.0632 50 H21 0.0544 -4.7276 -1.6779 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 3 2 3 2 20 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 11 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 1 14 12 13 0 15 12 16 2 16 13 14 2 17 14 15 1 18 16 17 0 19 16 18 1 20 18 19 1 21 20 21 2 22 21 22 1 23 22 27 ar 24 22 23 ar 25 23 24 ar 26 24 25 ar 27 25 26 ar 28 25 28 1 29 26 27 ar 30 1 29 1 31 1 30 1 32 1 31 1 33 5 32 1 34 5 33 1 35 7 34 1 36 8 35 1 37 9 36 1 38 10 37 1 39 13 38 1 40 15 39 1 41 15 40 1 42 15 41 1 43 19 42 1 44 19 43 1 45 19 44 1 46 20 45 1 47 21 46 1 48 23 47 1 49 24 48 1 50 26 49 1 51 27 50 1