@MOLECULE FDBD02236 48 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5040 -7.1701 -3.2828 C.2 1 UNK -0.1023 2 C1 2.5142 -7.3085 -1.9801 C.2 1 UNK -0.0867 3 C2 3.4701 -6.4976 -1.1437 C.3 1 UNK -0.0064 4 C3 2.6997 -5.7380 -0.0946 C.2 1 UNK 0.0013 5 C4 2.5187 -6.1692 1.1454 C.2 1 UNK -0.0255 6 C5 3.0507 -7.4704 1.6885 C.3 1 UNK -0.0397 7 C6 1.7063 -5.1755 1.9374 C.3 1 UNK 0.1315 8 C7 1.4013 -4.0230 0.9643 C.3 1 UNK 0.0512 9 C8 2.0731 -4.4412 -0.3261 C.2 1 UNK 0.1634 10 O 2.0821 -3.8156 -1.3656 O.2 1 UNK -0.2922 11 O1 0.4712 -5.7872 2.3941 O.3 1 UNK -0.4562 12 C9 -0.0440 -5.3325 3.5472 C.2 1 UNK 0.3119 13 O2 0.5184 -4.4525 4.1547 O.2 1 UNK -0.2505 14 C10 -1.3240 -5.9195 4.0839 C.3 1 UNK 0.0688 15 C11 -1.5336 -5.8906 5.5992 C.3 1 UNK -0.0033 16 C12 -2.9386 -5.6841 6.1035 C.2 1 UNK -0.0809 17 C13 -3.1534 -5.4824 7.3800 C.2 1 UNK -0.0793 18 C14 -1.9954 -5.4568 8.3441 C.3 1 UNK -0.0440 19 C15 -4.5584 -5.2759 7.8842 C.3 1 UNK -0.0440 20 C16 -1.2225 -7.2133 4.8944 C.3 1 UNK -0.0144 21 C17 -2.3618 -8.2250 4.7559 C.3 1 UNK -0.0585 22 C18 0.1708 -7.8118 5.0983 C.3 1 UNK -0.0585 23 H 1.8494 -7.7254 -3.8556 H 1 UNK 0.0532 24 H1 3.1506 -6.5057 -3.7362 H 1 UNK 0.0532 25 H2 1.8676 -7.9729 -1.5267 H 1 UNK 0.0570 26 H3 3.9951 -5.8073 -1.7704 H 1 UNK 0.0356 27 H4 4.1708 -7.1515 -0.6680 H 1 UNK 0.0356 28 H5 3.5909 -7.9832 0.9203 H 1 UNK 0.0276 29 H6 2.2350 -8.0794 2.0182 H 1 UNK 0.0276 30 H7 3.7039 -7.2725 2.5126 H 1 UNK 0.0276 31 H8 2.2315 -4.8345 2.8051 H 1 UNK 0.0786 32 H9 1.8113 -3.1028 1.3250 H 1 UNK 0.0385 33 H10 0.3516 -3.8538 0.8445 H 1 UNK 0.0385 34 H11 -1.8919 -5.6007 3.2350 H 1 UNK 0.0425 35 H12 -1.1018 -5.3466 6.4132 H 1 UNK 0.0356 36 H13 -3.7316 -5.7016 5.4433 H 1 UNK 0.0575 37 H14 -1.0828 -5.6203 7.8099 H 1 UNK 0.0274 38 H15 -2.1233 -6.2271 9.0757 H 1 UNK 0.0274 39 H16 -1.9579 -4.5049 8.8313 H 1 UNK 0.0274 40 H17 -5.2430 -5.3266 7.0634 H 1 UNK 0.0274 41 H18 -4.6322 -4.3161 8.3514 H 1 UNK 0.0274 42 H19 -4.7976 -6.0383 8.5958 H 1 UNK 0.0274 43 H20 -3.2864 -7.7043 4.6183 H 1 UNK 0.0235 44 H21 -2.4175 -8.8228 5.6416 H 1 UNK 0.0235 45 H22 -2.1783 -8.8554 3.9110 H 1 UNK 0.0235 46 H23 0.8889 -7.0231 5.1828 H 1 UNK 0.0235 47 H24 0.4186 -8.4317 4.2621 H 1 UNK 0.0235 48 H25 0.1793 -8.3992 5.9926 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