@MOLECULE FDBD03164 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0365 1.3500 0.0564 C.3 1 UNK 0.0790 2 O 0.0421 -0.0788 0.0338 O.3 1 UNK -0.4915 3 C1 -1.1658 -0.7003 0.0371 C.ar 1 UNK 0.1615 4 C2 -2.3320 0.0526 0.0559 C.ar 1 UNK -0.0157 5 C3 -3.5599 -0.5731 0.0594 C.ar 1 UNK -0.0503 6 C4 -3.6330 -1.9685 0.0439 C.ar 1 UNK -0.0135 7 C5 -2.4591 -2.7264 0.0249 C.ar 1 UNK -0.0086 8 C6 -1.2316 -2.0927 0.0158 C.ar 1 UNK 0.1621 9 O1 -0.0872 -2.8272 -0.0027 O.3 1 UNK -0.4914 10 C7 -0.2290 -4.2491 -0.0118 C.3 1 UNK 0.0790 11 C8 -4.9478 -2.6407 0.0480 C.2 1 UNK -0.0057 12 C9 -5.3376 -3.3834 -1.0281 C.2 1 UNK 0.0086 13 C10 -6.5959 -4.0267 -1.0241 C.2 1 UNK 0.2402 14 O2 -7.3005 -3.9803 -0.0317 O.2 1 UNK -0.2706 15 N -7.0163 -4.6916 -2.1185 N.am 1 UNK -0.2936 16 C11 -6.2382 -4.6638 -3.3671 C.3 1 UNK 0.0385 17 C12 -7.1812 -4.2886 -4.5161 C.3 1 UNK 0.0635 18 O3 -8.3171 -5.1563 -4.4951 O.3 1 UNK -0.3767 19 C13 -9.1107 -5.0531 -3.3105 C.3 1 UNK 0.0635 20 C14 -8.2637 -5.4720 -2.0981 C.3 1 UNK 0.0385 21 C15 -5.8412 -2.5090 1.2176 C.ar 1 UNK -0.0170 22 C16 -6.3789 -1.2640 1.5523 C.ar 1 UNK -0.0513 23 C17 -7.2121 -1.1470 2.6441 C.ar 1 UNK -0.0259 24 C18 -7.5169 -2.2622 3.4095 C.ar 1 UNK 0.1234 25 C19 -6.9857 -3.5004 3.0821 C.ar 1 UNK -0.0259 26 C20 -6.1559 -3.6301 1.9891 C.ar 1 UNK -0.0513 27 F -8.3342 -2.1419 4.4785 F 1 UNK -0.2055 28 H 1.0438 1.7107 0.0512 H 1 UNK 0.0660 29 H1 -0.4598 1.6908 0.9410 H 1 UNK 0.0660 30 H2 -0.4787 1.7183 -0.8060 H 1 UNK 0.0660 31 H3 -2.2793 1.0832 0.0673 H 1 UNK 0.0655 32 H4 -4.4254 -0.0112 0.0735 H 1 UNK 0.0625 33 H5 -2.5091 -3.7572 0.0177 H 1 UNK 0.0661 34 H6 0.7394 -4.7040 -0.0262 H 1 UNK 0.0660 35 H7 -0.7762 -4.5474 -0.8816 H 1 UNK 0.0660 36 H8 -0.7564 -4.5606 0.8656 H 1 UNK 0.0660 37 H9 -4.7136 -3.4754 -1.8449 H 1 UNK 0.0676 38 H10 -5.8125 -5.6284 -3.5492 H 1 UNK 0.0487 39 H11 -5.4471 -3.9473 -3.2916 H 1 UNK 0.0487 40 H12 -6.6679 -4.3937 -5.4490 H 1 UNK 0.0575 41 H13 -7.5018 -3.2743 -4.4011 H 1 UNK 0.0575 42 H14 -9.9616 -5.6966 -3.3924 H 1 UNK 0.0575 43 H15 -9.4425 -4.0434 -3.1863 H 1 UNK 0.0575 44 H16 -8.8010 -5.2729 -1.1945 H 1 UNK 0.0487 45 H17 -8.0462 -6.5187 -2.1425 H 1 UNK 0.0487 46 H18 -6.1528 -0.4333 0.9832 H 1 UNK 0.0624 47 H19 -7.6098 -0.2276 2.8923 H 1 UNK 0.0646 48 H20 -7.2120 -4.3264 3.6578 H 1 UNK 0.0646 49 H21 -5.7679 -4.5537 1.7413 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 6 11 1 9 7 8 ar 10 8 9 1 11 9 10 1 12 11 12 2 13 11 21 1 14 12 13 1 15 13 14 2 16 13 15 am 17 15 20 1 18 15 16 1 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 21 26 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 24 25 ar 28 24 27 1 29 25 26 ar 30 1 28 1 31 1 29 1 32 1 30 1 33 4 31 1 34 5 32 1 35 7 33 1 36 10 34 1 37 10 35 1 38 10 36 1 39 12 37 1 40 16 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 19 42 1 45 19 43 1 46 20 44 1 47 20 45 1 48 22 46 1 49 23 47 1 50 25 48 1 51 26 49 1