@MOLECULE FDBD02191 47 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9038 -1.7651 -1.4568 C.3 1 UNK 0.0464 2 O -0.8487 -1.3716 -0.5770 O.3 1 UNK -0.3050 3 P 0.3429 -2.3618 -0.1389 P.3 1 UNK 0.3609 4 S -0.3659 -4.0252 0.3121 S.2 1 UNK 0.0363 5 O1 1.3759 -2.5324 -1.3619 O.3 1 UNK -0.3050 6 C1 2.3583 -3.5690 -1.4122 C.3 1 UNK 0.0464 7 O2 1.1137 -1.7442 1.1325 O.3 1 UNK -0.4261 8 C2 1.9162 -2.6325 1.7779 C.ar 1 UNK 0.1297 9 C3 1.4057 -3.4034 2.8121 C.ar 1 UNK -0.0184 10 C4 2.2196 -4.3056 3.4680 C.ar 1 UNK -0.0445 11 C5 3.5501 -4.4411 3.0919 C.ar 1 UNK 0.0130 12 C6 4.0602 -3.6686 2.0560 C.ar 1 UNK -0.0445 13 C7 3.2431 -2.7711 1.3977 C.ar 1 UNK -0.0184 14 S1 4.5900 -5.5916 3.9284 S.3 1 UNK -0.0894 15 C8 3.5595 -6.1845 5.2289 C.ar 1 UNK 0.0130 16 C9 2.8128 -7.3426 5.0511 C.ar 1 UNK -0.0445 17 C10 2.0060 -7.8066 6.0710 C.ar 1 UNK -0.0184 18 C11 1.9407 -7.1169 7.2729 C.ar 1 UNK 0.1297 19 C12 2.6858 -5.9605 7.4515 C.ar 1 UNK -0.0184 20 C13 3.4974 -5.4975 6.4348 C.ar 1 UNK -0.0445 21 O3 1.1453 -7.5746 8.2766 O.3 1 UNK -0.4261 22 P1 1.8804 -8.5963 9.2805 P.3 1 UNK 0.3609 23 S2 3.5635 -7.9297 9.7227 S.2 1 UNK 0.0363 24 O4 0.9999 -8.7610 10.6183 O.3 1 UNK -0.3050 25 C14 1.5112 -9.3409 11.8200 C.3 1 UNK 0.0464 26 O5 2.0419 -10.0293 8.5645 O.3 1 UNK -0.3050 27 C15 3.0087 -10.2847 7.5436 C.3 1 UNK 0.0464 28 H -2.5737 -0.9432 -1.6004 H 1 UNK 0.0529 29 H1 -2.4363 -2.5887 -1.0291 H 1 UNK 0.0529 30 H2 -1.4914 -2.0580 -2.3997 H 1 UNK 0.0529 31 H3 2.9249 -3.4799 -2.3155 H 1 UNK 0.0529 32 H4 1.8726 -4.5221 -1.3884 H 1 UNK 0.0529 33 H5 3.0130 -3.4811 -0.5704 H 1 UNK 0.0529 34 H6 0.4173 -3.3026 3.0913 H 1 UNK 0.0654 35 H7 1.8397 -4.8790 4.2373 H 1 UNK 0.0630 36 H8 5.0495 -3.7655 1.7786 H 1 UNK 0.0630 37 H9 3.6196 -2.2032 0.6226 H 1 UNK 0.0654 38 H10 2.8612 -7.8558 4.1571 H 1 UNK 0.0630 39 H11 1.4513 -8.6668 5.9391 H 1 UNK 0.0654 40 H12 2.6335 -5.4460 8.3446 H 1 UNK 0.0654 41 H13 4.0576 -4.6415 6.5707 H 1 UNK 0.0630 42 H14 0.7466 -9.3428 12.5685 H 1 UNK 0.0529 43 H15 2.3466 -8.7682 12.1650 H 1 UNK 0.0529 44 H16 1.8233 -10.3459 11.6263 H 1 UNK 0.0529 45 H17 2.9274 -11.3020 7.2219 H 1 UNK 0.0529 46 H18 3.9908 -10.1105 7.9308 H 1 UNK 0.0529 47 H19 2.8317 -9.6329 6.7137 H 1 UNK 0.0529 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 3 7 1 6 5 6 1 7 7 8 1 8 8 13 ar 9 8 9 ar 10 9 10 ar 11 10 11 ar 12 11 12 ar 13 11 14 1 14 12 13 ar 15 14 15 1 16 15 20 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 18 21 1 22 19 20 ar 23 21 22 1 24 22 23 2 25 22 24 1 26 22 26 1 27 24 25 1 28 26 27 1 29 1 28 1 30 1 29 1 31 1 30 1 32 6 31 1 33 6 32 1 34 6 33 1 35 9 34 1 36 10 35 1 37 12 36 1 38 13 37 1 39 16 38 1 40 17 39 1 41 19 40 1 42 20 41 1 43 25 42 1 44 25 43 1 45 25 44 1 46 27 45 1 47 27 46 1 48 27 47 1