@MOLECULE FDBD02224 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5192 -1.9267 4.9458 C.3 1 UNK -0.0440 2 C1 3.4319 -0.7424 5.1342 C.2 1 UNK -0.0793 3 C2 2.9958 0.4671 4.8832 C.2 1 UNK -0.0809 4 C3 1.5815 0.6742 4.4060 C.3 1 UNK -0.0033 5 C4 1.0672 2.1129 4.3235 C.3 1 UNK 0.0689 6 C5 2.0139 3.2143 4.7257 C.2 1 UNK 0.3128 7 O 3.0974 3.3022 4.1983 O.2 1 UNK -0.2504 8 O1 1.6534 4.0976 5.6699 O.3 1 UNK -0.4445 9 C6 2.6154 5.1317 6.0069 C.3 1 UNK 0.1684 10 N 2.5605 6.1960 5.0017 N.am 1 UNK -0.1998 11 C7 3.0643 6.1124 3.7536 C.2 1 UNK 0.2521 12 O2 3.6343 5.1514 3.2790 O.2 1 UNK -0.2698 13 C8 2.8030 7.3878 3.0656 C.2 1 UNK 0.0231 14 C9 2.1529 8.1786 3.9383 C.2 1 UNK 0.0231 15 C10 1.6956 9.5813 3.6372 C.3 1 UNK -0.0223 16 C11 2.4381 10.0729 2.3877 C.3 1 UNK -0.0486 17 C12 2.3305 9.0204 1.2808 C.3 1 UNK -0.0486 18 C13 3.1650 7.7899 1.6604 C.3 1 UNK -0.0223 19 C14 1.9934 7.4061 5.1818 C.2 1 UNK 0.2521 20 O3 1.4506 7.7940 6.1960 O.2 1 UNK -0.2698 21 C15 1.3864 1.3399 3.0423 C.3 1 UNK -0.0144 22 C16 2.6421 1.7443 2.2675 C.3 1 UNK -0.0585 23 C17 0.2069 0.8694 2.1888 C.3 1 UNK -0.0585 24 C18 4.8462 -0.9496 5.6115 C.3 1 UNK -0.0440 25 H 1.5627 -1.5892 4.6051 H 1 UNK 0.0274 26 H1 2.4050 -2.4407 5.8773 H 1 UNK 0.0274 27 H2 2.9419 -2.5910 4.2213 H 1 UNK 0.0274 28 H3 3.6208 1.2781 5.0123 H 1 UNK 0.0575 29 H4 1.2352 -0.2285 4.8643 H 1 UNK 0.0356 30 H5 0.2119 2.6340 4.7002 H 1 UNK 0.0425 31 H6 3.5990 4.7109 6.0274 H 1 UNK 0.0919 32 H7 2.3808 5.5372 6.9689 H 1 UNK 0.0919 33 H8 1.9193 10.2204 4.4657 H 1 UNK 0.0315 34 H9 0.6392 9.5960 3.4677 H 1 UNK 0.0315 35 H10 3.4685 10.2352 2.6262 H 1 UNK 0.0269 36 H11 2.0005 10.9895 2.0511 H 1 UNK 0.0269 37 H12 2.6967 9.4300 0.3626 H 1 UNK 0.0269 38 H13 1.3068 8.7332 1.1607 H 1 UNK 0.0269 39 H14 2.9508 6.9860 0.9876 H 1 UNK 0.0315 40 H15 4.2084 8.0193 1.6000 H 1 UNK 0.0315 41 H16 3.4009 2.0549 2.9550 H 1 UNK 0.0235 42 H17 2.4082 2.5519 1.6057 H 1 UNK 0.0235 43 H18 2.9954 0.9089 1.6999 H 1 UNK 0.0235 44 H19 -0.6139 0.6125 2.8253 H 1 UNK 0.0235 45 H20 0.4985 0.0118 1.6192 H 1 UNK 0.0235 46 H21 -0.0887 1.6548 1.5250 H 1 UNK 0.0235 47 H22 5.0220 -1.9941 5.7632 H 1 UNK 0.0274 48 H23 4.9919 -0.4259 6.5331 H 1 UNK 0.0274 49 H24 5.5288 -0.5759 4.8771 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 2 3 2 24 1 4 3 4 1 5 4 21 1 6 4 5 1 7 5 6 1 8 5 21 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 19 am 14 10 11 am 15 11 12 2 16 11 13 1 17 13 18 1 18 13 14 2 19 14 15 1 20 14 19 1 21 15 16 1 22 16 17 1 23 17 18 1 24 19 20 2 25 21 22 1 26 21 23 1 27 1 25 1 28 1 26 1 29 1 27 1 30 3 28 1 31 4 29 1 32 5 30 1 33 9 31 1 34 9 32 1 35 15 33 1 36 15 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 18 39 1 42 18 40 1 43 22 41 1 44 22 42 1 45 22 43 1 46 23 44 1 47 23 45 1 48 23 46 1 49 24 47 1 50 24 48 1 51 24 49 1