@MOLECULE FDBD02235 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5862 -3.7868 8.4406 C.2 1 UNK -0.1023 2 C1 4.5451 -3.4054 7.7429 C.2 1 UNK -0.0867 3 C2 4.7309 -2.8501 6.3543 C.3 1 UNK -0.0064 4 C3 3.8902 -3.6368 5.3820 C.2 1 UNK 0.0013 5 C4 2.6760 -3.2742 4.9940 C.2 1 UNK -0.0255 6 C5 1.9600 -2.0332 5.4611 C.3 1 UNK -0.0397 7 C6 2.1111 -4.2769 4.0193 C.3 1 UNK 0.1315 8 C7 3.1989 -5.3533 3.8574 C.3 1 UNK 0.0512 9 C8 4.3223 -4.8813 4.7556 C.2 1 UNK 0.1634 10 O 5.3851 -5.4403 4.9289 O.2 1 UNK -0.2922 11 O1 0.8965 -4.8669 4.5532 O.3 1 UNK -0.4562 12 C9 -0.0306 -5.2609 3.6661 C.2 1 UNK 0.3119 13 O2 0.1662 -5.1176 2.4826 O.2 1 UNK -0.2505 14 C10 -1.3169 -5.8821 4.1462 C.3 1 UNK 0.0688 15 C11 -1.7745 -7.1740 3.4662 C.3 1 UNK -0.0033 16 C12 -0.9044 -7.7280 2.3676 C.2 1 UNK -0.0809 17 C13 -1.3281 -8.7311 1.6393 C.2 1 UNK -0.0793 18 C14 -2.6857 -9.3311 1.9002 C.3 1 UNK -0.0440 19 C15 -0.4580 -9.2851 0.5407 C.3 1 UNK -0.0440 20 C16 -1.2227 -7.2143 4.8927 C.3 1 UNK -0.0144 21 C17 0.1704 -7.8140 5.0945 C.3 1 UNK -0.0585 22 C18 -2.2179 -7.4597 6.0285 C.3 1 UNK -0.0585 23 H 5.4589 -4.1671 9.3915 H 1 UNK 0.0532 24 H1 6.5336 -3.7070 8.0393 H 1 UNK 0.0532 25 H2 3.5977 -3.4852 8.1442 H 1 UNK 0.0570 26 H3 5.7614 -2.9237 6.0757 H 1 UNK 0.0356 27 H4 4.4293 -1.8236 6.3374 H 1 UNK 0.0356 28 H5 2.5828 -1.4994 6.1482 H 1 UNK 0.0276 29 H6 1.0477 -2.3094 5.9472 H 1 UNK 0.0276 30 H7 1.7412 -1.4096 4.6196 H 1 UNK 0.0276 31 H8 1.8589 -3.8230 3.0838 H 1 UNK 0.0786 32 H9 3.5255 -5.4132 2.8402 H 1 UNK 0.0385 33 H10 2.8503 -6.3314 4.1155 H 1 UNK 0.0385 34 H11 -1.7662 -4.9319 4.3468 H 1 UNK 0.0425 35 H12 -2.6767 -7.5025 2.9938 H 1 UNK 0.0356 36 H13 0.0253 -7.3172 2.1890 H 1 UNK 0.0575 37 H14 -3.1549 -8.8130 2.7103 H 1 UNK 0.0274 38 H15 -2.5760 -10.3648 2.1537 H 1 UNK 0.0274 39 H16 -3.2900 -9.2415 1.0218 H 1 UNK 0.0274 40 H17 0.4610 -8.7383 0.5036 H 1 UNK 0.0274 41 H18 -0.9656 -9.1935 -0.3968 H 1 UNK 0.0274 42 H19 -0.2516 -10.3168 0.7352 H 1 UNK 0.0274 43 H20 0.7832 -7.5853 4.2477 H 1 UNK 0.0235 44 H21 0.0898 -8.8757 5.2001 H 1 UNK 0.0235 45 H22 0.6124 -7.4004 5.9768 H 1 UNK 0.0235 46 H23 -3.1542 -7.0012 5.7876 H 1 UNK 0.0235 47 H24 -1.8365 -7.0371 6.9345 H 1 UNK 0.0235 48 H25 -2.3591 -8.5124 6.1578 H 1 UNK 0.0235 @BOND 1 1 2 2 2 2 3 1 3 3 4 1 4 4 9 1 5 4 5 2 6 5 6 1 7 5 7 1 8 7 8 1 9 7 11 1 10 8 9 1 11 9 10 2 12 11 12 1 13 12 13 2 14 12 14 1 15 14 20 1 16 14 15 1 17 15 16 1 18 15 20 1 19 16 17 2 20 17 18 1 21 17 19 1 22 20 21 1 23 20 22 1 24 1 23 1 25 1 24 1 26 2 25 1 27 3 26 1 28 3 27 1 29 6 28 1 30 6 29 1 31 6 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 18 37 1 39 18 38 1 40 18 39 1 41 19 40 1 42 19 41 1 43 19 42 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 46 1 48 22 47 1 49 22 48 1