@MOLECULE FDBD02337 59 61 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0535 1.5156 0.0166 C.3 1 UNK -0.0541 2 C1 -0.0298 -0.0142 0.0030 C.3 1 UNK 0.0279 3 C2 -1.4626 -0.5505 -0.0132 C.3 1 UNK -0.0541 4 C3 0.7221 -0.5059 -1.2358 C.3 1 UNK 0.1122 5 N 0.9815 -1.9381 -1.1436 N.2 1 UNK -0.1150 6 C4 0.9813 -2.5980 -0.0317 C.cat 1 UNK 0.3875 7 N1 0.7130 -1.9996 1.1778 N.pl3 1 UNK -0.2362 8 C5 0.7006 -0.5304 1.2518 C.3 1 UNK 0.0661 9 N2 1.2584 -3.9458 -0.0591 N.pl3 1 UNK -0.1179 10 N3 1.5345 -4.5796 -1.2776 N.2 1 UNK -0.1207 11 C6 1.8997 -5.8416 -1.2938 C.2 1 UNK 0.0968 12 C7 2.0729 -6.5405 -2.5761 C.2 1 UNK -0.0330 13 C8 1.8575 -5.8880 -3.7321 C.2 1 UNK -0.0525 14 C9 2.0310 -6.5882 -5.0165 C.ar 1 UNK -0.0249 15 C10 2.4140 -7.9323 -5.0376 C.ar 1 UNK -0.0541 16 C11 2.5745 -8.5811 -6.2439 C.ar 1 UNK -0.0496 17 C12 2.3578 -7.9045 -7.4316 C.ar 1 UNK 0.0548 18 C13 1.9790 -6.5735 -7.4187 C.ar 1 UNK -0.0496 19 C14 1.8080 -5.9132 -6.2201 C.ar 1 UNK -0.0541 20 C15 2.5359 -8.6206 -8.7456 C.3 1 UNK 0.4174 21 F 1.3228 -9.2039 -9.1269 F 1 UNK -0.1659 22 F1 2.9416 -7.7064 -9.7237 F 1 UNK -0.1659 23 F2 3.5086 -9.6164 -8.6059 F 1 UNK -0.1659 24 C16 2.1353 -6.5551 -0.0296 C.2 1 UNK -0.0330 25 C17 2.4032 -7.8730 -0.0412 C.2 1 UNK -0.0525 26 C18 2.5269 -8.6106 1.2279 C.ar 1 UNK -0.0249 27 C19 2.3607 -7.9454 2.4460 C.ar 1 UNK -0.0541 28 C20 2.4780 -8.6427 3.6300 C.ar 1 UNK -0.0496 29 C21 2.7599 -9.9974 3.6142 C.ar 1 UNK 0.0548 30 C22 2.9262 -10.6628 2.4122 C.ar 1 UNK -0.0496 31 C23 2.8053 -9.9804 1.2199 C.ar 1 UNK -0.0541 32 C24 2.8869 -10.7519 4.9126 C.3 1 UNK 0.4174 33 F3 1.6352 -11.2537 5.2847 F 1 UNK -0.1659 34 F4 3.7848 -11.8124 4.7497 F 1 UNK -0.1659 35 F5 3.3588 -9.8901 5.9085 F 1 UNK -0.1659 36 H -0.5797 1.8565 0.8837 H 1 UNK 0.0237 37 H1 -0.5468 1.8725 -0.8633 H 1 UNK 0.0237 38 H2 0.9495 1.8877 0.0389 H 1 UNK 0.0237 39 H3 -1.9831 -0.2036 0.8549 H 1 UNK 0.0237 40 H4 -1.4430 -1.6203 -0.0136 H 1 UNK 0.0237 41 H5 -1.9637 -0.2027 -0.8923 H 1 UNK 0.0237 42 H6 1.6531 0.0159 -1.3123 H 1 UNK 0.0699 43 H7 0.1210 -0.3191 -2.1011 H 1 UNK 0.0699 44 H8 0.5328 -2.5440 1.9781 H 1 UNK 0.2445 45 H9 0.1855 -0.2129 2.1343 H 1 UNK 0.0639 46 H10 1.6982 -0.1455 1.2924 H 1 UNK 0.0639 47 H11 1.2626 -4.4646 0.7776 H 1 UNK 0.2779 48 H12 2.3598 -7.5317 -2.5888 H 1 UNK 0.0640 49 H13 1.5707 -4.8967 -3.7194 H 1 UNK 0.0624 50 H14 2.5763 -8.4379 -4.1527 H 1 UNK 0.0624 51 H15 2.8569 -9.5736 -6.2610 H 1 UNK 0.0623 52 H16 1.8241 -6.0738 -8.3083 H 1 UNK 0.0623 53 H17 1.5162 -4.9234 -6.2118 H 1 UNK 0.0624 54 H18 2.0951 -6.0445 0.8664 H 1 UNK 0.0640 55 H19 2.5221 -8.3675 -0.9392 H 1 UNK 0.0624 56 H20 2.1508 -6.9351 2.4593 H 1 UNK 0.0624 57 H21 2.3552 -8.1530 4.5301 H 1 UNK 0.0623 58 H22 3.1412 -11.6721 2.4081 H 1 UNK 0.0623 59 H23 2.9201 -10.4798 0.3241 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 8 1 3 2 3 1 4 2 4 1 5 4 5 1 6 5 6 2 7 6 7 1 8 6 9 1 9 7 8 1 10 9 10 1 11 10 11 2 12 11 12 1 13 11 24 1 14 12 13 2 15 13 14 1 16 14 19 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 17 20 1 22 18 19 ar 23 20 21 1 24 20 22 1 25 20 23 1 26 24 25 2 27 25 26 1 28 26 31 ar 29 26 27 ar 30 27 28 ar 31 28 29 ar 32 29 30 ar 33 29 32 1 34 30 31 ar 35 32 33 1 36 32 34 1 37 32 35 1 38 1 36 1 39 1 37 1 40 1 38 1 41 3 39 1 42 3 40 1 43 3 41 1 44 4 42 1 45 4 43 1 46 7 44 1 47 8 45 1 48 8 46 1 49 9 47 1 50 12 48 1 51 13 49 1 52 15 50 1 53 16 51 1 54 18 52 1 55 19 53 1 56 24 54 1 57 25 55 1 58 27 56 1 59 28 57 1 60 30 58 1 61 31 59 1