@MOLECULE FDBD02077 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.9121 0.8627 0.6367 C.3 1 UNK -0.0648 2 C1 -0.6540 -0.6403 0.5135 C.3 1 UNK -0.0476 3 C2 0.0600 -0.9285 -0.8086 C.3 1 UNK 0.0243 4 C3 0.3142 -2.4089 -0.9300 C.2 1 UNK 0.2205 5 O -0.0408 -3.1597 -0.0460 O.2 1 UNK -0.2752 6 N 0.9361 -2.8987 -2.0208 N.am 1 UNK -0.2598 7 C4 1.1832 -4.3379 -2.1388 C.3 1 UNK 0.0741 8 S 2.7259 -4.7587 -1.2822 S.3 1 UNK -0.0543 9 P 2.7766 -6.8747 -1.4031 P.3 1 UNK 0.2301 10 S1 1.1907 -7.5741 -0.7184 S.2 1 UNK 0.0032 11 O1 2.9397 -7.3206 -2.9414 O.3 1 UNK -0.3267 12 C5 2.1874 -6.7345 -4.0056 C.3 1 UNK 0.0441 13 O2 4.0219 -7.4314 -0.5479 O.3 1 UNK -0.3267 14 C6 4.0258 -7.4797 0.8802 C.3 1 UNK 0.0441 15 C7 1.3458 -2.0323 -3.0410 C.ar 1 UNK 0.0554 16 C8 2.6127 -1.4651 -3.0053 C.ar 1 UNK -0.0388 17 C9 3.0143 -0.6110 -4.0136 C.ar 1 UNK -0.0599 18 C10 2.1563 -0.3196 -5.0583 C.ar 1 UNK -0.0603 19 C11 0.8940 -0.8822 -5.0977 C.ar 1 UNK -0.0416 20 C12 0.4877 -1.7423 -4.0948 C.ar 1 UNK 0.0624 21 Cl -1.0971 -2.4491 -4.1449 Cl 1 UNK -0.0816 22 H -1.4114 1.0642 1.5613 H 1 UNK 0.0230 23 H1 -1.5253 1.1872 -0.1779 H 1 UNK 0.0230 24 H2 0.0199 1.3878 0.6128 H 1 UNK 0.0230 25 H3 -1.5860 -1.1654 0.5374 H 1 UNK 0.0267 26 H4 -0.0408 -0.9648 1.3281 H 1 UNK 0.0267 27 H5 0.9920 -0.4035 -0.8324 H 1 UNK 0.0358 28 H6 -0.5532 -0.6040 -1.6232 H 1 UNK 0.0358 29 H7 1.2656 -4.6021 -3.1724 H 1 UNK 0.0588 30 H8 0.3713 -4.8766 -1.6967 H 1 UNK 0.0588 31 H9 2.4664 -7.1901 -4.9327 H 1 UNK 0.0528 32 H10 2.3894 -5.6846 -4.0491 H 1 UNK 0.0528 33 H11 1.1431 -6.8899 -3.8319 H 1 UNK 0.0528 34 H12 4.9554 -7.8855 1.2208 H 1 UNK 0.0528 35 H13 3.2212 -8.0987 1.2183 H 1 UNK 0.0528 36 H14 3.9038 -6.4911 1.2708 H 1 UNK 0.0528 37 H15 3.2537 -1.6816 -2.2260 H 1 UNK 0.0637 38 H16 3.9560 -0.1896 -3.9874 H 1 UNK 0.0618 39 H17 2.4589 0.3192 -5.8102 H 1 UNK 0.0618 40 H18 0.2545 -0.6598 -5.8766 H 1 UNK 0.0633 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 am 6 6 7 1 7 6 15 1 8 7 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 9 13 1 13 11 12 1 14 13 14 1 15 15 20 ar 16 15 16 ar 17 16 17 ar 18 17 18 ar 19 18 19 ar 20 19 20 ar 21 20 21 1 22 1 22 1 23 1 23 1 24 1 24 1 25 2 25 1 26 2 26 1 27 3 27 1 28 3 28 1 29 7 29 1 30 7 30 1 31 12 31 1 32 12 32 1 33 12 33 1 34 14 34 1 35 14 35 1 36 14 36 1 37 16 37 1 38 17 38 1 39 18 39 1 40 19 40 1