@MOLECULE FDBD02081 41 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.8735 1.5924 1.9157 C.3 1 UNK -0.0245 2 C1 1.7177 0.4006 1.4600 C.3 1 UNK -0.0348 3 N 0.9332 -0.8343 1.5925 N.4 1 UNK 0.2354 4 C2 -0.2052 -0.8371 0.6641 C.3 1 UNK -0.0348 5 C3 -1.2086 -1.9104 1.0907 C.3 1 UNK -0.0245 6 C4 1.7785 -2.0190 1.3925 C.3 1 UNK -0.0222 7 C5 2.6238 -2.2598 2.6449 C.3 1 UNK 0.0448 8 S 3.6501 -3.7364 2.4071 S.3 1 UNK -0.0359 9 P 5.1651 -3.0570 1.0889 P.3 1 UNK 0.3914 10 O 6.1831 -4.1177 0.9187 O.2 1 UNK -0.2458 11 O1 4.5139 -2.7038 -0.3405 O.3 1 UNK -0.3005 12 C6 3.9134 -3.6866 -1.1865 C.3 1 UNK 0.0549 13 C7 3.3971 -3.0157 -2.4609 C.3 1 UNK -0.0410 14 O2 5.8594 -1.7403 1.7024 O.3 1 UNK -0.3005 15 C8 6.6171 -1.7527 2.9140 C.3 1 UNK 0.0549 16 C9 7.0292 -0.3236 3.2724 C.3 1 UNK -0.0410 17 H 1.4449 2.4919 1.8192 H 1 UNK 0.0281 18 H1 0.5897 1.4581 2.9386 H 1 UNK 0.0281 19 H2 -0.0045 1.6607 1.3080 H 1 UNK 0.0281 20 H3 2.5957 0.3323 2.0677 H 1 UNK 0.0812 21 H4 2.0015 0.5349 0.4371 H 1 UNK 0.0812 22 H5 0.5631 -0.8700 2.5423 H 1 UNK 0.2033 23 H6 0.1424 -1.0471 -0.3258 H 1 UNK 0.0812 24 H7 -0.6803 0.1215 0.6794 H 1 UNK 0.0812 25 H8 -0.7335 -2.8690 1.0754 H 1 UNK 0.0281 26 H9 -2.0378 -1.9124 0.4144 H 1 UNK 0.0281 27 H10 -1.5562 -1.7004 2.0806 H 1 UNK 0.0281 28 H11 2.4223 -1.8601 0.5528 H 1 UNK 0.0823 29 H12 1.1592 -2.8724 1.2107 H 1 UNK 0.0823 30 H13 1.9801 -2.4048 3.4872 H 1 UNK 0.0434 31 H14 3.2533 -1.4122 2.8187 H 1 UNK 0.0434 32 H15 3.0977 -4.1499 -0.6718 H 1 UNK 0.0562 33 H16 4.6405 -4.4284 -1.4434 H 1 UNK 0.0562 34 H17 2.6700 -2.2739 -2.2040 H 1 UNK 0.0252 35 H18 2.9475 -3.7516 -3.0943 H 1 UNK 0.0252 36 H19 4.2128 -2.5524 -2.9756 H 1 UNK 0.0252 37 H20 7.4924 -2.3536 2.7811 H 1 UNK 0.0562 38 H21 6.0209 -2.1606 3.7034 H 1 UNK 0.0562 39 H22 7.6254 0.0843 2.4830 H 1 UNK 0.0252 40 H23 7.5965 -0.3329 4.1796 H 1 UNK 0.0252 41 H24 6.1539 0.2773 3.4053 H 1 UNK 0.0252 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 6 1 5 4 5 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 9 14 1 12 11 12 1 13 12 13 1 14 14 15 1 15 15 16 1 16 1 17 1 17 1 18 1 18 1 19 1 19 2 20 1 20 2 21 1 21 3 22 1 22 4 23 1 23 4 24 1 24 5 25 1 25 5 26 1 26 5 27 1 27 6 28 1 28 6 29 1 29 7 30 1 30 7 31 1 31 12 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1 36 15 37 1 37 15 38 1 38 16 39 1 39 16 40 1 40 16 41 1