@MOLECULE FDBD00142 55 58 0 0 0 SMALL USER_CHARGES @ATOM 1 C 18.6616 -9.0015 -1.4155 C.3 1 UNK 0.0756 2 C1 18.5848 -10.5331 -1.2626 C.3 1 UNK 0.1515 3 C2 19.1651 -8.3762 -0.0976 C.3 1 UNK 0.0578 4 C3 17.2895 -8.4016 -1.8008 C.3 1 UNK 0.0744 5 C4 17.4982 -10.8969 -0.2874 C.2 1 UNK 0.1940 6 C5 19.9182 -11.0527 -0.7868 C.2 1 UNK -0.0828 7 C6 20.4611 -8.9797 0.3752 C.2 1 UNK 0.2383 8 C7 16.0486 -9.2399 -1.3976 C.3 1 UNK 0.0198 9 C8 16.3043 -10.2906 -0.3406 C.2 1 UNK -0.0079 10 O 17.7342 -11.7938 0.5888 O.2 1 UNK -0.2890 11 C9 20.8181 -10.2343 0.0593 C.1 1 UNK -0.1213 12 O1 20.2483 -12.1777 -1.1257 O.co2 1 UNK -0.8242 13 O2 21.2141 -8.2395 1.0881 O.2 1 UNK -0.2782 14 C10 14.9401 -8.2414 -0.9906 C.3 1 UNK -0.0088 15 C11 15.2126 -10.6406 0.5942 C.2 1 UNK -0.1227 16 C12 22.0962 -10.8142 0.5374 C.2 1 UNK -0.0493 17 C13 13.6981 -8.9460 -0.4556 C.ar 1 UNK -0.0342 18 C14 13.8330 -10.0634 0.3722 C.ar 1 UNK 0.0073 19 O3 15.4065 -11.3998 1.5299 O.co2 1 UNK -0.8283 20 N 22.4176 -12.0803 0.2152 N.pl3 1 UNK -0.3682 21 O4 22.8562 -10.1484 1.2218 O.co2 1 UNK -0.8122 22 C15 12.4312 -8.4584 -0.7846 C.ar 1 UNK -0.0575 23 C16 12.6956 -10.6202 0.9679 C.ar 1 UNK 0.1233 24 C17 11.2948 -9.0343 -0.2123 C.ar 1 UNK -0.0580 25 C18 11.4316 -10.0962 0.6849 C.ar 1 UNK -0.0196 26 O5 12.8121 -11.6978 1.8386 O.3 1 UNK -0.5062 27 C19 15.4430 -7.2684 0.0936 C.3 1 UNK -0.0577 28 N1 18.1280 -8.2479 0.9435 N.4 1 UNK 0.2395 29 C20 18.2199 -6.9086 1.5415 C.3 1 UNK -0.0426 30 C21 18.2205 -9.2513 2.0165 C.3 1 UNK -0.0426 31 O6 17.2294 -8.0163 -3.1794 O.3 1 UNK -0.3906 32 O7 18.2662 -11.1148 -2.5316 O.3 1 UNK -0.3764 33 H 19.3472 -8.7763 -2.2056 H 1 UNK 0.0422 34 H1 19.4035 -7.3598 -0.3319 H 1 UNK 0.0947 35 H2 17.2291 -7.5211 -1.1959 H 1 UNK 0.0605 36 H3 15.7463 -9.8284 -2.2386 H 1 UNK 0.0381 37 H4 14.6830 -7.7056 -1.8804 H 1 UNK 0.0353 38 H5 21.8052 -12.6183 -0.3369 H 1 UNK 0.1414 39 H6 23.2651 -12.4687 0.5315 H 1 UNK 0.1414 40 H7 12.3351 -7.6745 -1.4489 H 1 UNK 0.0621 41 H8 10.3569 -8.6764 -0.4515 H 1 UNK 0.0619 42 H9 10.5959 -10.4952 1.1404 H 1 UNK 0.0654 43 H10 13.6567 -12.0541 2.0327 H 1 UNK 0.2922 44 H11 15.6960 -7.8178 0.9763 H 1 UNK 0.0236 45 H12 14.6738 -6.5606 0.3222 H 1 UNK 0.0236 46 H13 16.3084 -6.7512 -0.2649 H 1 UNK 0.0236 47 H14 17.2331 -8.4020 0.4789 H 1 UNK 0.2035 48 H15 19.1724 -6.7942 2.0154 H 1 UNK 0.0778 49 H16 17.4434 -6.7883 2.2678 H 1 UNK 0.0778 50 H17 18.1108 -6.1683 0.7767 H 1 UNK 0.0778 51 H18 19.1472 -9.1316 2.5378 H 1 UNK 0.0778 52 H19 18.1740 -10.2325 1.5922 H 1 UNK 0.0778 53 H20 17.4075 -9.1191 2.6995 H 1 UNK 0.0778 54 H21 17.2833 -8.8069 -3.7387 H 1 UNK 0.2098 55 H22 17.4083 -10.7789 -2.8350 H 1 UNK 0.2112 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 2 32 1 7 3 7 1 8 3 28 1 9 4 8 1 10 4 31 1 11 5 9 0 12 5 10 2 13 6 11 2 14 6 12 0 15 7 11 0 16 7 13 2 17 8 9 1 18 8 14 1 19 9 15 2 20 11 16 2 21 14 17 1 22 14 27 1 23 15 18 1 24 15 19 0 25 16 20 1 26 16 21 0 27 17 18 ar 28 17 22 ar 29 18 23 ar 30 22 24 ar 31 23 25 ar 32 23 26 1 33 24 25 ar 34 28 29 1 35 28 30 1 36 1 33 1 37 3 34 1 38 4 35 1 39 8 36 1 40 14 37 1 41 20 38 1 42 20 39 1 43 22 40 1 44 24 41 1 45 25 42 1 46 26 43 1 47 27 44 1 48 27 45 1 49 27 46 1 50 28 47 1 51 29 48 1 52 29 49 1 53 29 50 1 54 30 51 1 55 30 52 1 56 30 53 1 57 31 54 1 58 32 55 1