@MOLECULE FDBD02233 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3447 3.5681 -0.2128 C.3 1 UNK 0.0790 2 O 0.0701 2.1912 0.0531 O.3 1 UNK -0.4914 3 C1 0.5054 1.2865 -0.8643 C.ar 1 UNK 0.1619 4 C2 1.1846 1.7151 -1.9883 C.ar 1 UNK -0.0077 5 C3 1.6313 0.7812 -2.9297 C.ar 1 UNK -0.0031 6 C4 1.3875 -0.5816 -2.7273 C.ar 1 UNK -0.0495 7 C5 0.7092 -1.0001 -1.6031 C.ar 1 UNK -0.0159 8 C6 0.2711 -0.0733 -0.6672 C.ar 1 UNK 0.1585 9 O1 -0.3969 -0.4922 0.4395 O.3 1 UNK -0.5033 10 C7 2.3544 1.2308 -4.1284 C.2 1 UNK 0.0414 11 N 2.7705 0.3576 -5.0058 N.2 1 UNK -0.1911 12 C8 3.3455 0.7782 -6.1630 C.ar 1 UNK 0.3508 13 C9 2.7098 0.9487 -7.3823 C.ar 1 UNK 0.1496 14 C10 3.6806 1.3967 -8.3055 C.ar 1 UNK 0.1947 15 C11 3.4481 1.6972 -9.6862 C.1 1 UNK 0.1238 16 N1 3.2637 1.9356 -10.7815 N.1 1 UNK -0.1891 17 N2 4.8397 1.4918 -7.6782 N.ar 1 UNK -0.1441 18 N3 4.6629 1.1191 -6.3406 N.ar 1 UNK -0.0468 19 C12 5.6591 1.0898 -5.3571 C.ar 1 UNK 0.2763 20 C13 5.9129 -0.0838 -4.6573 C.ar 1 UNK 0.1168 21 C14 6.8971 -0.1089 -3.6871 C.ar 1 UNK -0.0252 22 C15 7.6288 1.0319 -3.4124 C.ar 1 UNK 0.0580 23 C16 7.3788 2.2016 -4.1062 C.ar 1 UNK -0.0252 24 C17 6.4004 2.2327 -5.0822 C.ar 1 UNK 0.1168 25 Cl 6.0879 3.7016 -5.9530 Cl 1 UNK -0.0766 26 C18 8.7009 1.0003 -2.3539 C.3 1 UNK 0.4175 27 F 9.9208 0.6400 -2.9363 F 1 UNK -0.1659 28 F1 8.8184 2.2668 -1.7712 F 1 UNK -0.1659 29 F2 8.3589 0.0649 -1.3714 F 1 UNK -0.1659 30 Cl1 4.9945 -1.5164 -5.0010 Cl 1 UNK -0.0766 31 S 1.0047 0.6593 -7.7195 S.3 1 UNK -0.0042 32 C19 0.2412 2.2675 -7.3712 C.3 1 UNK 0.4480 33 F3 0.7977 3.2393 -8.2097 F 1 UNK -0.1600 34 F4 -1.1368 2.1887 -7.5992 F 1 UNK -0.1600 35 F5 0.4739 2.6149 -6.0362 F 1 UNK -0.1600 36 H -0.0479 4.1697 0.5802 H 1 UNK 0.0660 37 H1 -0.1149 3.8515 -1.1366 H 1 UNK 0.0660 38 H2 1.4025 3.7141 -0.2811 H 1 UNK 0.0660 39 H3 1.3621 2.7213 -2.1333 H 1 UNK 0.0662 40 H4 1.7155 -1.2731 -3.4196 H 1 UNK 0.0625 41 H5 0.5265 -2.0052 -1.4566 H 1 UNK 0.0655 42 H6 -0.6933 0.1322 1.0722 H 1 UNK 0.2923 43 H7 2.5331 2.2364 -4.2764 H 1 UNK 0.0838 44 H8 5.6892 1.7781 -8.0852 H 1 UNK 0.2380 45 H9 7.0861 -0.9801 -3.1671 H 1 UNK 0.0640 46 H10 7.9233 3.0524 -3.8951 H 1 UNK 0.0640 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 5 10 1 8 6 7 ar 9 7 8 ar 10 8 9 1 11 10 11 2 12 11 12 1 13 12 18 ar 14 12 13 ar 15 13 14 ar 16 13 31 1 17 14 15 1 18 14 17 ar 19 15 16 3 20 17 18 ar 21 18 19 1 22 19 24 ar 23 19 20 ar 24 20 21 ar 25 20 30 1 26 21 22 ar 27 22 23 ar 28 22 26 1 29 23 24 ar 30 24 25 1 31 26 27 1 32 26 28 1 33 26 29 1 34 31 32 1 35 32 33 1 36 32 34 1 37 32 35 1 38 1 36 1 39 1 37 1 40 1 38 1 41 4 39 1 42 6 40 1 43 7 41 1 44 9 42 1 45 10 43 1 46 17 44 1 47 21 45 1 48 23 46 1