@MOLECULE FDBD03127 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0226 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.2109 3 C2 0.6606 -0.5156 -1.2533 C.ar 1 UNK -0.0073 4 C3 -0.1006 -0.7699 -2.3788 C.ar 1 UNK -0.0557 5 C4 0.5035 -1.2391 -3.5302 C.ar 1 UNK -0.0614 6 C5 1.8689 -1.4535 -3.5563 C.ar 1 UNK -0.0617 7 C6 2.6302 -1.1983 -2.4311 C.ar 1 UNK -0.0614 8 C7 2.0268 -0.7250 -1.2810 C.ar 1 UNK -0.0557 9 C8 -1.4040 -0.5557 0.1312 C.2 1 UNK 0.3124 10 O -2.3333 -0.3910 -0.6301 O.2 1 UNK -0.2666 11 N -1.3981 -1.2697 1.2765 N.am 1 UNK -0.0077 12 C9 -0.1595 -1.2252 1.8688 C.cat 1 UNK 0.4160 13 N1 0.6948 -0.5175 1.1945 N.2 1 UNK -0.0537 14 S 0.2281 -2.0411 3.3816 S.3 1 UNK 0.1260 15 C10 1.9665 -1.5686 3.5570 C.3 1 UNK 0.0318 16 N2 -2.5031 -1.9607 1.7906 N.pl3 1 UNK -0.2215 17 C11 -2.5627 -3.3529 1.6946 C.ar 1 UNK 0.0484 18 C12 -1.5245 -4.0543 1.0948 C.ar 1 UNK -0.0393 19 C13 -1.5864 -5.4309 1.0019 C.ar 1 UNK -0.0600 20 C14 -2.6804 -6.1109 1.5049 C.ar 1 UNK -0.0616 21 C15 -3.7157 -5.4157 2.1026 C.ar 1 UNK -0.0600 22 C16 -3.6575 -4.0396 2.2039 C.ar 1 UNK -0.0393 23 H 0.9808 1.8966 -0.0815 H 1 UNK 0.0262 24 H1 -0.4443 1.8717 0.9291 H 1 UNK 0.0262 25 H2 -0.6071 1.8790 -0.8105 H 1 UNK 0.0262 26 H3 -1.1199 -0.6095 -2.3595 H 1 UNK 0.0621 27 H4 -0.0648 -1.4293 -4.3703 H 1 UNK 0.0618 28 H5 2.3198 -1.8041 -4.4158 H 1 UNK 0.0618 29 H6 3.6491 -1.3611 -2.4497 H 1 UNK 0.0618 30 H7 2.5962 -0.5280 -0.4431 H 1 UNK 0.0621 31 H8 2.3636 -1.9963 4.4538 H 1 UNK 0.0382 32 H9 2.0431 -0.5025 3.6059 H 1 UNK 0.0382 33 H10 2.5204 -1.9277 2.7149 H 1 UNK 0.0382 34 H11 -3.2376 -1.4650 2.2195 H 1 UNK 0.1742 35 H12 -0.7079 -3.5474 0.7190 H 1 UNK 0.0636 36 H13 -0.8153 -5.9526 0.5566 H 1 UNK 0.0618 37 H14 -2.7243 -7.1395 1.4341 H 1 UNK 0.0618 38 H15 -4.5327 -5.9257 2.4733 H 1 UNK 0.0618 39 H16 -4.4265 -3.5220 2.6575 H 1 UNK 0.0636 @BOND 1 1 2 1 2 2 13 1 3 2 3 1 4 2 9 1 5 3 8 ar 6 3 4 ar 7 4 5 ar 8 5 6 ar 9 6 7 ar 10 7 8 ar 11 9 10 2 12 9 11 am 13 11 12 1 14 11 16 1 15 12 13 2 16 12 14 1 17 14 15 1 18 16 17 1 19 17 22 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 20 21 ar 24 21 22 ar 25 1 23 1 26 1 24 1 27 1 25 1 28 4 26 1 29 5 27 1 30 6 28 1 31 7 29 1 32 8 30 1 33 15 31 1 34 15 32 1 35 15 33 1 36 16 34 1 37 18 35 1 38 19 36 1 39 20 37 1 40 21 38 1 41 22 39 1