@MOLECULE FDBD02976 48 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5385 -2.7636 2.5715 C.3 1 UNK 0.1072 2 O -2.4327 -2.8007 1.6671 O.2 1 UNK -0.3965 3 N -2.5780 -1.9500 0.5445 N.2 1 UNK -0.0792 4 C1 -1.5983 -1.8188 -0.3046 C.2 1 UNK 0.1774 5 C2 -0.2985 -2.4773 -0.0427 C.ar 1 UNK 0.0512 6 C3 -0.2092 -3.8689 -0.0230 C.ar 1 UNK -0.0488 7 C4 1.0044 -4.4771 0.2215 C.ar 1 UNK -0.0609 8 C5 2.1355 -3.7115 0.4483 C.ar 1 UNK -0.0582 9 C6 2.0595 -2.3322 0.4313 C.ar 1 UNK -0.0186 10 C7 0.8481 -1.7063 0.1807 C.ar 1 UNK 0.1399 11 O1 0.7720 -0.3508 0.1637 O.3 1 UNK -0.4348 12 C8 0.3805 0.2792 1.2988 C.ar 1 UNK 0.2634 13 C9 0.1897 1.6579 1.3114 C.ar 1 UNK 0.2464 14 C10 -0.2129 2.2566 2.5014 C.ar 1 UNK 0.2634 15 N1 -0.3995 1.4955 3.5757 N.ar 1 UNK -0.1984 16 C11 -0.2083 0.1931 3.5232 C.ar 1 UNK 0.1237 17 N2 0.1678 -0.4117 2.4146 N.ar 1 UNK -0.1984 18 O2 -0.4116 3.5964 2.5645 O.3 1 UNK -0.4340 19 C12 -0.6842 4.1445 3.7781 C.ar 1 UNK 0.1487 20 C13 -1.9984 4.3796 4.1551 C.ar 1 UNK -0.0178 21 C14 -2.2729 4.9364 5.3892 C.ar 1 UNK -0.0582 22 C15 -1.2394 5.2596 6.2491 C.ar 1 UNK -0.0602 23 C16 0.0715 5.0272 5.8765 C.ar 1 UNK -0.0398 24 C17 0.3518 4.4649 4.6450 C.ar 1 UNK 0.0832 25 Cl 1.9980 4.1731 4.1772 Cl 1 UNK -0.0797 26 F 0.3905 2.3956 0.1976 F 1 UNK -0.1942 27 C18 -1.7851 -1.0120 -1.5304 C.2 1 UNK 0.2809 28 N3 -0.8354 -0.9774 -2.4032 N.2 1 UNK -0.0434 29 O3 -0.9291 -0.2255 -3.5961 O.2 1 UNK -0.3874 30 C19 -2.2653 0.1500 -3.9474 C.3 1 UNK 0.1518 31 C20 -2.9540 0.6969 -2.6887 C.3 1 UNK 0.1278 32 O4 -2.9481 -0.3408 -1.6991 O.2 1 UNK -0.4694 33 H -3.3536 -3.4294 3.3884 H 1 UNK 0.0687 34 H1 -4.4282 -3.0656 2.0596 H 1 UNK 0.0687 35 H2 -3.6616 -1.7680 2.9437 H 1 UNK 0.0687 36 H3 -1.0502 -4.4430 -0.1912 H 1 UNK 0.0625 37 H4 1.0696 -5.5069 0.2354 H 1 UNK 0.0618 38 H5 3.0400 -4.1736 0.6310 H 1 UNK 0.0619 39 H6 2.9054 -1.7672 0.6053 H 1 UNK 0.0654 40 H7 -0.3574 -0.3699 4.3752 H 1 UNK 0.1049 41 H8 -2.7704 4.1387 3.5141 H 1 UNK 0.0655 42 H9 -3.2505 5.1114 5.6697 H 1 UNK 0.0619 43 H10 -1.4470 5.6751 7.1707 H 1 UNK 0.0618 44 H11 0.8414 5.2736 6.5181 H 1 UNK 0.0633 45 H12 -2.7983 -0.7038 -4.3104 H 1 UNK 0.0758 46 H13 -2.2511 0.8949 -4.7154 H 1 UNK 0.0758 47 H14 -3.9613 0.9760 -2.9173 H 1 UNK 0.0732 48 H15 -2.4380 1.5614 -2.3264 H 1 UNK 0.0732 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 4 27 1 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 1 13 11 12 1 14 12 17 ar 15 12 13 ar 16 13 14 ar 17 13 26 1 18 14 15 ar 19 14 18 1 20 15 16 ar 21 16 17 ar 22 18 19 1 23 19 24 ar 24 19 20 ar 25 20 21 ar 26 21 22 ar 27 22 23 ar 28 23 24 ar 29 24 25 1 30 27 32 1 31 27 28 2 32 28 29 1 33 29 30 1 34 30 31 1 35 31 32 1 36 1 33 1 37 1 34 1 38 1 35 1 39 6 36 1 40 7 37 1 41 8 38 1 42 9 39 1 43 16 40 1 44 20 41 1 45 21 42 1 46 22 43 1 47 23 44 1 48 30 45 1 49 30 46 1 50 31 47 1 51 31 48 1