@MOLECULE FDBD02144 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6477 1.5122 0.4586 C.3 1 UNK -0.0306 2 C1 -0.6398 -0.0178 0.4633 C.3 1 UNK 0.0900 3 O 0.2750 -0.4940 1.4855 O.3 1 UNK -0.4613 4 C2 0.3995 -1.8289 1.6212 C.2 1 UNK 0.3468 5 O1 -0.2389 -2.5746 0.9050 O.2 1 UNK -0.2447 6 C3 1.3102 -2.3845 2.6386 C.ar 1 UNK 0.1460 7 C4 1.9474 -1.5522 3.5397 C.ar 1 UNK 0.2200 8 N 2.7798 -2.0993 4.4643 N.ar 1 UNK -0.0546 9 C5 2.9761 -3.4583 4.4922 C.ar 1 UNK 0.3390 10 C6 3.8624 -3.7173 5.5259 C.ar 1 UNK 0.0980 11 C7 4.1928 -2.4980 6.1145 C.ar 1 UNK 0.2596 12 N1 3.5519 -1.5352 5.4867 N.ar 1 UNK -0.1206 13 O2 5.0385 -2.3307 7.1649 O.3 1 UNK -0.4048 14 P 6.5749 -2.1062 6.7392 P.3 1 UNK 0.3626 15 S 6.6583 -0.8830 5.3358 S.2 1 UNK 0.0363 16 O3 7.4026 -1.5368 7.9973 O.3 1 UNK -0.3020 17 C8 8.6974 -0.9450 7.8736 C.3 1 UNK 0.0548 18 C9 9.1950 -0.5134 9.2546 C.3 1 UNK -0.0410 19 O4 7.2115 -3.5079 6.2680 O.3 1 UNK -0.3020 20 C10 6.9160 -4.1123 5.0073 C.3 1 UNK 0.0548 21 C11 7.6844 -5.4292 4.8804 C.3 1 UNK -0.0410 22 N2 2.3553 -4.2625 3.6155 N.ar 1 UNK -0.1884 23 C12 1.5410 -3.7793 2.7115 C.ar 1 UNK 0.0646 24 C13 0.8582 -4.7073 1.7401 C.3 1 UNK -0.0211 25 H -1.3218 1.8631 -0.2946 H 1 UNK 0.0262 26 H1 0.3380 1.8733 0.2514 H 1 UNK 0.0262 27 H2 -0.9648 1.8702 1.4158 H 1 UNK 0.0262 28 H3 -0.3227 -0.3758 -0.4939 H 1 UNK 0.0695 29 H4 -1.6255 -0.3789 0.6705 H 1 UNK 0.0695 30 H5 1.7936 -0.5321 3.5108 H 1 UNK 0.1415 31 H6 4.2141 -4.6454 5.8086 H 1 UNK 0.0757 32 H7 3.6065 -0.5758 5.7009 H 1 UNK 0.2409 33 H8 8.6392 -0.0904 7.2324 H 1 UNK 0.0562 34 H9 9.3772 -1.6583 7.4565 H 1 UNK 0.0562 35 H10 8.5152 0.1999 9.6718 H 1 UNK 0.0252 36 H11 10.1645 -0.0703 9.1619 H 1 UNK 0.0252 37 H12 9.2532 -1.3680 9.8959 H 1 UNK 0.0252 38 H13 7.2078 -3.4516 4.2179 H 1 UNK 0.0562 39 H14 5.8655 -4.3046 4.9415 H 1 UNK 0.0562 40 H15 8.7349 -5.2369 4.9462 H 1 UNK 0.0252 41 H16 7.4631 -5.8817 3.9364 H 1 UNK 0.0252 42 H17 7.3926 -6.0899 5.6698 H 1 UNK 0.0252 43 H18 0.2358 -4.1387 1.0811 H 1 UNK 0.0293 44 H19 0.2581 -5.4099 2.2797 H 1 UNK 0.0293 45 H20 1.5958 -5.2322 1.1698 H 1 UNK 0.0293 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 23 ar 7 6 7 ar 8 7 8 ar 9 8 12 ar 10 8 9 ar 11 9 10 ar 12 9 22 ar 13 10 11 ar 14 11 12 ar 15 11 13 1 16 13 14 1 17 14 15 2 18 14 16 1 19 14 19 1 20 16 17 1 21 17 18 1 22 19 20 1 23 20 21 1 24 22 23 ar 25 23 24 1 26 1 25 1 27 1 26 1 28 1 27 1 29 2 28 1 30 2 29 1 31 7 30 1 32 10 31 1 33 12 32 1 34 17 33 1 35 17 34 1 36 18 35 1 37 18 36 1 38 18 37 1 39 20 38 1 40 20 39 1 41 21 40 1 42 21 41 1 43 21 42 1 44 24 43 1 45 24 44 1 46 24 45 1