@MOLECULE FDBD02341 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1724 1.1552 0.2469 C.ar 1 UNK -0.0606 2 C1 1.2996 1.9375 0.1033 C.ar 1 UNK -0.0528 3 C2 2.5653 1.3675 0.2569 C.ar 1 UNK -0.0014 4 C3 2.6801 0.0075 0.5552 C.ar 1 UNK -0.0412 5 C4 1.5446 -0.7624 0.6960 C.ar 1 UNK 0.0554 6 C5 0.2937 -0.1909 0.5423 C.ar 1 UNK -0.0501 7 C6 1.6664 -2.2296 1.0178 C.3 1 UNK 0.4174 8 F 1.6739 -2.4035 2.4059 F 1 UNK -0.1659 9 F1 0.5810 -2.9194 0.4672 F 1 UNK -0.1659 10 F2 2.8574 -2.7279 0.4789 F 1 UNK -0.1659 11 C7 3.7751 2.1973 0.1044 C.2 1 UNK 0.0708 12 N 4.9433 1.6940 0.3592 N.2 1 UNK -0.1827 13 N1 6.0935 2.4784 0.2023 N.am 1 UNK -0.1903 14 C8 7.3119 1.9323 0.3860 C.2 1 UNK 0.3234 15 O 8.3102 2.6132 0.2498 O.2 1 UNK -0.2507 16 N2 7.4238 0.6315 0.7206 N.am 1 UNK -0.2681 17 C9 8.6814 0.0909 1.0204 C.ar 1 UNK 0.0350 18 C10 8.9656 -1.2286 0.6952 C.ar 1 UNK -0.0370 19 C11 10.2051 -1.7607 0.9910 C.ar 1 UNK -0.0179 20 C12 11.1661 -0.9772 1.6130 C.ar 1 UNK 0.1301 21 C13 10.8828 0.3412 1.9382 C.ar 1 UNK -0.0179 22 C14 9.6456 0.8763 1.6378 C.ar 1 UNK -0.0370 23 O1 12.3862 -1.5019 1.9044 O.3 1 UNK -0.4057 24 C15 13.3275 -0.6385 2.5451 C.3 1 UNK 0.5752 25 F3 12.8040 -0.2029 3.7672 F 1 UNK -0.1328 26 F4 14.5203 -1.3341 2.7701 F 1 UNK -0.1328 27 F5 13.5797 0.4667 1.7253 F 1 UNK -0.1328 28 C16 3.6542 3.6299 -0.3475 C.3 1 UNK 0.0169 29 C17 3.7405 3.6914 -1.8508 C.ar 1 UNK -0.0414 30 C18 4.9771 3.7652 -2.4671 C.ar 1 UNK -0.0570 31 C19 5.0634 3.8218 -3.8427 C.ar 1 UNK -0.0441 32 C20 3.8991 3.8039 -4.6134 C.ar 1 UNK 0.0518 33 C21 2.6545 3.7288 -3.9848 C.ar 1 UNK -0.0441 34 C22 2.5830 3.6680 -2.6085 C.ar 1 UNK -0.0570 35 C23 3.9811 3.8629 -6.0418 C.1 1 UNK 0.0992 36 N3 4.0462 3.9096 -7.1750 N.1 1 UNK -0.1909 37 H -0.8071 1.5956 0.1329 H 1 UNK 0.0618 38 H1 1.2035 2.9881 -0.1277 H 1 UNK 0.0624 39 H2 3.6558 -0.4398 0.6750 H 1 UNK 0.0629 40 H3 -0.5922 -0.7987 0.6533 H 1 UNK 0.0623 41 H4 6.0129 3.4146 -0.0385 H 1 UNK 0.1788 42 H5 6.6339 0.0696 0.7539 H 1 UNK 0.1564 43 H6 8.2173 -1.8388 0.2113 H 1 UNK 0.0637 44 H7 10.4262 -2.7872 0.7384 H 1 UNK 0.0655 45 H8 11.6314 0.9506 2.4225 H 1 UNK 0.0655 46 H9 9.4253 1.9029 1.8907 H 1 UNK 0.0637 47 H10 2.6957 4.0339 -0.0218 H 1 UNK 0.0377 48 H11 4.4628 4.2175 0.0872 H 1 UNK 0.0377 49 H12 5.8768 3.7789 -1.8698 H 1 UNK 0.0621 50 H13 6.0292 3.8801 -4.3225 H 1 UNK 0.0630 51 H14 1.7501 3.7147 -4.5749 H 1 UNK 0.0630 52 H15 1.6211 3.6095 -2.1211 H 1 UNK 0.0621 @BOND 1 1 6 ar 2 1 2 ar 3 1 37 1 4 2 3 ar 5 2 38 1 6 3 4 ar 7 3 11 1 8 4 5 ar 9 4 39 1 10 5 6 ar 11 5 7 1 12 6 40 1 13 7 8 1 14 7 9 1 15 7 10 1 16 11 12 2 17 11 28 1 18 12 13 1 19 13 14 am 20 13 41 1 21 14 15 2 22 14 16 am 23 16 17 1 24 16 42 1 25 17 22 ar 26 17 18 ar 27 18 19 ar 28 18 43 1 29 19 20 ar 30 19 44 1 31 20 21 ar 32 20 23 1 33 21 22 ar 34 21 45 1 35 22 46 1 36 23 24 1 37 24 25 1 38 24 26 1 39 24 27 1 40 28 29 1 41 28 47 1 42 28 48 1 43 29 34 ar 44 29 30 ar 45 30 31 ar 46 30 49 1 47 31 32 ar 48 31 50 1 49 32 33 ar 50 32 35 1 51 33 34 ar 52 33 51 1 53 34 52 1 54 35 36 3