@MOLECULE FDBD02298 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0530 1.6319 0.5848 C.2 1 UNK -0.1023 2 C1 -0.0765 0.3283 0.4575 C.2 1 UNK -0.0867 3 C2 1.2119 -0.4360 0.2930 C.3 1 UNK -0.0064 4 C3 1.3020 -1.5028 1.3536 C.2 1 UNK 0.0013 5 C4 0.9310 -2.7615 1.1682 C.2 1 UNK -0.0255 6 C5 0.3692 -3.3108 -0.1178 C.3 1 UNK -0.0397 7 C6 1.1501 -3.5676 2.4239 C.3 1 UNK 0.1315 8 C7 1.7338 -2.5813 3.4509 C.3 1 UNK 0.0512 9 C8 1.8134 -1.2696 2.6996 C.2 1 UNK 0.1634 10 O 2.2209 -0.2147 3.1393 O.2 1 UNK -0.2922 11 O1 -0.1115 -4.1034 2.9031 O.3 1 UNK -0.4562 12 C9 -0.0657 -5.2690 3.5672 C.2 1 UNK 0.3118 13 O2 0.9936 -5.8232 3.7423 O.2 1 UNK -0.2505 14 C10 -1.3353 -5.8863 4.0945 C.3 1 UNK 0.0677 15 C11 -1.3668 -6.2849 5.5713 C.3 1 UNK -0.0156 16 C12 -2.1587 -7.5386 5.9479 C.3 1 UNK -0.0585 17 C13 -0.1066 -6.0267 6.3997 C.3 1 UNK -0.0585 18 C14 -2.1585 -5.0671 5.0905 C.3 1 UNK -0.0156 19 C15 -1.6297 -3.6839 5.4751 C.3 1 UNK -0.0585 20 C16 -3.6816 -5.1963 5.0232 C.3 1 UNK -0.0585 21 H -0.9352 2.1553 0.6975 H 1 UNK 0.0532 22 H1 0.8478 2.1354 0.5724 H 1 UNK 0.0532 23 H2 -0.9772 -0.1752 0.4699 H 1 UNK 0.0570 24 H3 2.0396 0.2350 0.3908 H 1 UNK 0.0356 25 H4 1.2350 -0.8922 -0.6746 H 1 UNK 0.0356 26 H5 0.3187 -2.5297 -0.8473 H 1 UNK 0.0276 27 H6 -0.6125 -3.6982 0.0586 H 1 UNK 0.0276 28 H7 1.0025 -4.0945 -0.4777 H 1 UNK 0.0276 29 H8 1.8036 -4.3977 2.2543 H 1 UNK 0.0786 30 H9 2.7055 -2.8959 3.7698 H 1 UNK 0.0385 31 H10 1.1385 -2.5113 4.3372 H 1 UNK 0.0385 32 H11 -1.5423 -6.3855 3.1710 H 1 UNK 0.0424 33 H12 -1.4830 -8.3058 6.2638 H 1 UNK 0.0235 34 H13 -2.7128 -7.8791 5.0982 H 1 UNK 0.0235 35 H14 -2.8341 -7.3078 6.7450 H 1 UNK 0.0235 36 H15 0.3429 -6.9606 6.6657 H 1 UNK 0.0235 37 H16 -0.3675 -5.4905 7.2882 H 1 UNK 0.0235 38 H17 0.5860 -5.4485 5.8246 H 1 UNK 0.0235 39 H18 -0.5600 -3.7032 5.4927 H 1 UNK 0.0235 40 H19 -1.9976 -3.4182 6.4441 H 1 UNK 0.0235 41 H20 -1.9617 -2.9629 4.7575 H 1 UNK 0.0235 42 H21 -3.9429 -6.1967 4.7476 H 1 UNK 0.0235 43 H22 -4.0656 -4.5137 4.2942 H 1 UNK 0.0235 44 H23 -4.1015 -4.9689 5.9807 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 18 1 16 14 15 1 17 15 16 1 18 15 17 1 19 15 18 1 20 18 19 1 21 18 20 1 22 1 21 1 23 1 22 1 24 2 23 1 25 3 24 1 26 3 25 1 27 6 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 8 30 1 32 8 31 1 33 14 32 1 34 16 33 1 35 16 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 19 39 1 41 19 40 1 42 19 41 1 43 20 42 1 44 20 43 1 45 20 44 1