@MOLECULE FDBD03056 37 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3247 1.4719 0.1112 C.3 1 UNK -0.0629 2 C1 0.4253 -0.0548 0.1051 C.3 1 UNK -0.0271 3 C2 1.0246 -0.5211 -1.2232 C.3 1 UNK 0.0856 4 C3 1.1143 -2.0666 -1.2790 C.3 1 UNK 0.0777 5 O 1.0628 -2.3456 -2.6927 O.3 1 UNK -0.3374 6 C4 0.4625 -1.2100 -3.3295 C.3 1 UNK 0.2623 7 C5 1.4488 -0.5987 -4.3267 C.3 1 UNK 0.2355 8 N 1.8531 -1.6165 -5.2998 N.ar 1 UNK -0.0657 9 C6 1.7873 -1.5218 -6.6392 C.ar 1 UNK 0.2727 10 N1 2.2426 -2.6378 -7.1479 N.ar 1 UNK -0.2928 11 C7 2.6068 -3.4652 -6.1692 C.ar 1 UNK 0.1651 12 N2 2.3923 -2.8825 -5.0190 N.ar 1 UNK 0.0139 13 C8 -0.7887 -1.6377 -4.0525 C.ar 1 UNK 0.0360 14 C9 -0.9393 -1.3580 -5.3979 C.ar 1 UNK -0.0505 15 C10 -2.0864 -1.7499 -6.0616 C.ar 1 UNK -0.0429 16 C11 -3.0849 -2.4229 -5.3797 C.ar 1 UNK 0.0424 17 C12 -2.9347 -2.7034 -4.0337 C.ar 1 UNK -0.0246 18 C13 -1.7839 -2.3150 -3.3710 C.ar 1 UNK 0.0508 19 Cl -1.5945 -2.6667 -1.6815 Cl 1 UNK -0.0830 20 Cl1 -4.5260 -2.9146 -6.2134 Cl 1 UNK -0.0835 21 O1 0.1277 -0.2386 -2.3241 O.3 1 UNK -0.3344 22 H -0.0944 1.7980 1.0401 H 1 UNK 0.0231 23 H1 -0.3025 1.7912 -0.6947 H 1 UNK 0.0231 24 H2 1.3007 1.8941 -0.0075 H 1 UNK 0.0231 25 H3 -0.5507 -0.4770 0.2238 H 1 UNK 0.0288 26 H4 1.0525 -0.3741 0.9110 H 1 UNK 0.0288 27 H5 1.9710 -0.0269 -1.2944 H 1 UNK 0.0620 28 H6 0.2897 -2.5180 -0.7680 H 1 UNK 0.0587 29 H7 1.9916 -2.4547 -0.8051 H 1 UNK 0.0587 30 H8 2.3115 -0.2434 -3.8029 H 1 UNK 0.1115 31 H9 0.9806 0.2168 -4.8372 H 1 UNK 0.1115 32 H10 1.4385 -0.7104 -7.1730 H 1 UNK 0.1623 33 H11 2.3065 -2.8365 -8.1100 H 1 UNK 0.1720 34 H12 2.9953 -4.4125 -6.2983 H 1 UNK 0.1090 35 H13 -0.1948 -0.8563 -5.9069 H 1 UNK 0.0623 36 H14 -2.1984 -1.5406 -7.0659 H 1 UNK 0.0632 37 H15 -3.6806 -3.2022 -3.5239 H 1 UNK 0.0647 @BOND 1 1 2 1 2 2 3 1 3 3 21 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 13 1 9 6 21 1 10 7 8 1 11 8 12 ar 12 8 9 ar 13 9 10 ar 14 10 11 ar 15 11 12 ar 16 13 18 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 16 20 1 22 17 18 ar 23 18 19 1 24 1 22 1 25 1 23 1 26 1 24 1 27 2 25 1 28 2 26 1 29 3 27 1 30 4 28 1 31 4 29 1 32 7 30 1 33 7 31 1 34 9 32 1 35 10 33 1 36 11 34 1 37 14 35 1 38 15 36 1 39 17 37 1