@MOLECULE FDBD02125 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0410 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0548 3 O 0.6709 -0.4649 -1.1737 O.3 1 UNK -0.3020 4 P 0.8773 -2.0258 -1.5102 P.3 1 UNK 0.3614 5 S 1.4487 -2.9211 0.0210 S.2 1 UNK 0.0363 6 O1 -0.5170 -2.6557 -2.0114 O.3 1 UNK -0.3020 7 C2 -0.7515 -4.0631 -2.0902 C.3 1 UNK 0.0548 8 C3 -2.1711 -4.3157 -2.6020 C.3 1 UNK -0.0410 9 O2 1.9844 -2.1832 -2.6685 O.3 1 UNK -0.4258 10 C4 2.4662 -3.4450 -2.8040 C.ar 1 UNK 0.1383 11 C5 3.5812 -3.8416 -2.0678 C.ar 1 UNK -0.0183 12 C6 4.0782 -5.1065 -2.1928 C.ar 1 UNK -0.0422 13 C7 3.4628 -6.0109 -3.0663 C.ar 1 UNK 0.0746 14 C8 3.9809 -7.3770 -3.2177 C.2 1 UNK -0.0161 15 C9 5.1949 -7.7760 -2.4255 C.3 1 UNK -0.0261 16 C10 5.3283 -9.2971 -2.3742 C.3 1 UNK -0.0487 17 C11 5.2201 -9.8374 -3.8055 C.3 1 UNK -0.0483 18 C12 3.7854 -9.6351 -4.2888 C.3 1 UNK -0.0151 19 C13 3.3460 -8.2118 -4.0684 C.2 1 UNK 0.0981 20 C14 2.2189 -7.7443 -4.7891 C.2 1 UNK 0.4847 21 O3 1.6564 -8.5018 -5.5593 O.2 1 UNK -0.1907 22 O4 1.7518 -6.4964 -4.6505 O.3 1 UNK -0.5178 23 C15 2.3379 -5.6166 -3.8110 C.ar 1 UNK 0.2776 24 C16 1.8421 -4.3295 -3.6686 C.ar 1 UNK 0.0767 25 H -0.5195 1.8709 0.8908 H 1 UNK 0.0252 26 H1 -0.5363 1.8802 -0.8564 H 1 UNK 0.0252 27 H2 0.9851 1.8962 0.0027 H 1 UNK 0.0252 28 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0562 29 H4 0.5197 -0.3585 0.8688 H 1 UNK 0.0562 30 H5 -0.6398 -4.4982 -1.1191 H 1 UNK 0.0562 31 H6 -0.0461 -4.5052 -2.7624 H 1 UNK 0.0562 32 H7 -2.8765 -3.8736 -1.9298 H 1 UNK 0.0252 33 H8 -2.3467 -5.3695 -2.6610 H 1 UNK 0.0252 34 H9 -2.2828 -3.8806 -3.5731 H 1 UNK 0.0252 35 H10 4.0340 -3.1743 -1.4238 H 1 UNK 0.0654 36 H11 4.9043 -5.3951 -1.6456 H 1 UNK 0.0628 37 H12 5.1044 -7.3972 -1.4289 H 1 UNK 0.0314 38 H13 6.0642 -7.3695 -2.8988 H 1 UNK 0.0314 39 H14 4.5459 -9.7090 -1.7717 H 1 UNK 0.0268 40 H15 6.2702 -9.5708 -1.9466 H 1 UNK 0.0268 41 H16 5.4622 -10.8796 -3.8178 H 1 UNK 0.0269 42 H17 5.9013 -9.3187 -4.4472 H 1 UNK 0.0269 43 H18 3.1364 -10.2911 -3.7472 H 1 UNK 0.0317 44 H19 3.7411 -9.8509 -5.3359 H 1 UNK 0.0317 45 H20 1.0031 -6.2288 -5.1463 H 1 UNK 0.5656 46 H21 1.0118 -4.0317 -4.2043 H 1 UNK 0.0746 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 9 1 7 6 7 1 8 7 8 1 9 9 10 1 10 10 24 ar 11 10 11 ar 12 11 12 ar 13 12 13 ar 14 13 23 ar 15 13 14 1 16 14 19 2 17 14 15 1 18 15 16 1 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 20 21 2 24 20 22 1 25 22 23 1 26 23 24 ar 27 1 25 1 28 1 26 1 29 1 27 1 30 2 28 1 31 2 29 1 32 7 30 1 33 7 31 1 34 8 32 1 35 8 33 1 36 8 34 1 37 11 35 1 38 12 36 1 39 15 37 1 40 15 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 17 42 1 45 18 43 1 46 18 44 1 47 22 45 1 48 24 46 1