@MOLECULE FDBD02204 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1427 0.6832 0.5666 C.3 1 UNK -0.0410 2 C1 -1.4361 -0.6611 0.3812 C.3 1 UNK 0.0563 3 O -0.4717 -0.5517 -0.6677 O.3 1 UNK -0.2872 4 P 0.4593 -1.7795 -1.1345 P.3 1 UNK 0.4618 5 O1 1.0057 -2.4653 0.0578 O.2 1 UNK -0.2281 6 N -0.4561 -2.8663 -2.0364 N.3 1 UNK -0.2095 7 C2 -1.0738 -2.2022 -3.1920 C.3 1 UNK 0.0130 8 C3 -0.4889 -2.7772 -4.4835 C.3 1 UNK -0.0494 9 C4 -2.5854 -2.4377 -3.1675 C.3 1 UNK -0.0494 10 O2 1.6714 -1.2217 -2.0353 O.3 1 UNK -0.4128 11 C5 2.5398 -0.4218 -1.3602 C.ar 1 UNK 0.1314 12 C6 2.2899 0.9387 -1.2543 C.ar 1 UNK -0.0184 13 C7 3.1708 1.7516 -0.5691 C.ar 1 UNK -0.0446 14 C8 4.3079 1.2067 0.0144 C.ar 1 UNK 0.0107 15 C9 4.5571 -0.1556 -0.0922 C.ar 1 UNK -0.0336 16 C10 5.7900 -0.7482 0.5401 C.3 1 UNK -0.0386 17 C11 3.6716 -0.9678 -0.7733 C.ar 1 UNK -0.0155 18 S 5.4333 2.2430 0.8886 S.3 1 UNK -0.1283 19 C12 4.6756 3.8845 0.7405 C.3 1 UNK -0.0134 20 H -2.8648 0.6013 1.3520 H 1 UNK 0.0252 21 H1 -2.6349 0.9559 -0.3435 H 1 UNK 0.0252 22 H2 -1.4225 1.4326 0.8210 H 1 UNK 0.0252 23 H3 -2.1563 -1.4105 0.1268 H 1 UNK 0.0563 24 H4 -0.9439 -0.9338 1.2913 H 1 UNK 0.0563 25 H5 -1.1895 -3.2563 -1.4445 H 1 UNK 0.1349 26 H6 -0.8757 -1.1516 -3.1476 H 1 UNK 0.0460 27 H7 -0.6870 -3.8278 -4.5280 H 1 UNK 0.0245 28 H8 0.5682 -2.6125 -4.5006 H 1 UNK 0.0245 29 H9 -0.9389 -2.2935 -5.3252 H 1 UNK 0.0245 30 H10 -2.7835 -3.4883 -3.2119 H 1 UNK 0.0245 31 H11 -3.0354 -1.9540 -4.0092 H 1 UNK 0.0245 32 H12 -2.9944 -2.0355 -2.2643 H 1 UNK 0.0245 33 H13 1.4453 1.3433 -1.6878 H 1 UNK 0.0654 34 H14 2.9847 2.7636 -0.4904 H 1 UNK 0.0630 35 H15 6.3520 0.0258 1.0198 H 1 UNK 0.0278 36 H16 6.3913 -1.2099 -0.2150 H 1 UNK 0.0278 37 H17 5.5021 -1.4812 1.2645 H 1 UNK 0.0278 38 H18 3.8522 -1.9813 -0.8455 H 1 UNK 0.0657 39 H19 5.2852 4.6054 1.2441 H 1 UNK 0.0344 40 H20 3.7017 3.8691 1.1835 H 1 UNK 0.0344 41 H21 4.5930 4.1472 -0.2934 H 1 UNK 0.0344 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 10 1 7 6 7 1 8 7 8 1 9 7 9 1 10 10 11 1 11 11 17 ar 12 11 12 ar 13 12 13 ar 14 13 14 ar 15 14 15 ar 16 14 18 1 17 15 16 1 18 15 17 ar 19 18 19 1 20 1 20 1 21 1 21 1 22 1 22 1 23 2 23 1 24 2 24 1 25 6 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 9 32 1 33 12 33 1 34 13 34 1 35 16 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 19 39 1 40 19 40 1 41 19 41 1