@MOLECULE FDBD03103 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0403 1.7636 -1.1308 C.3 1 UNK -0.0305 2 C1 -0.0682 0.2519 -0.8964 C.3 1 UNK 0.0931 3 O 0.7167 -0.4115 -1.9221 O.3 1 UNK -0.4338 4 C2 0.7946 -1.7532 -1.8594 C.2 1 UNK 0.5157 5 O1 0.2228 -2.3538 -0.9723 O.2 1 UNK -0.2025 6 O2 1.5063 -2.4297 -2.7797 O.3 1 UNK -0.3922 7 C3 1.5438 -3.7831 -2.6584 C.ar 1 UNK 0.1689 8 C4 2.6203 -4.3951 -2.0325 C.ar 1 UNK 0.0049 9 C5 2.6561 -5.7704 -1.9104 C.ar 1 UNK -0.0242 10 C6 1.6204 -6.5374 -2.4118 C.ar 1 UNK 0.1289 11 C7 0.5467 -5.9301 -3.0359 C.ar 1 UNK 0.0024 12 C8 0.5033 -4.5542 -3.1550 C.ar 1 UNK 0.1708 13 N -0.6468 -3.9045 -3.8228 N.pl3 1 UNK 0.0601 14 O3 -1.5554 -4.5827 -4.2677 O.2 1 UNK -0.1260 15 O4 -0.6846 -2.6916 -3.9275 O.2 1 UNK -0.1260 16 N1 1.6618 -8.0112 -2.2806 N.pl3 1 UNK 0.0565 17 O5 2.6075 -8.5474 -1.7313 O.2 1 UNK -0.1261 18 O6 0.7501 -8.6878 -2.7218 O.2 1 UNK -0.1261 19 C9 3.7497 -3.5599 -1.4867 C.3 1 UNK -0.0091 20 C10 4.8640 -4.4777 -0.9798 C.3 1 UNK -0.0559 21 C11 4.2970 -2.6565 -2.5936 C.3 1 UNK -0.0559 22 C12 3.2347 -2.6975 -0.3326 C.3 1 UNK -0.0559 23 H -0.6187 2.2525 -0.3749 H 1 UNK 0.0262 24 H1 -0.4530 1.9830 -2.0933 H 1 UNK 0.0262 25 H2 0.9703 2.1126 -1.0881 H 1 UNK 0.0262 26 H3 -1.0788 -0.0971 -0.9391 H 1 UNK 0.0696 27 H4 0.3445 0.0326 0.0661 H 1 UNK 0.0696 28 H5 3.4564 -6.2260 -1.4446 H 1 UNK 0.0644 29 H6 -0.2230 -6.5048 -3.4131 H 1 UNK 0.0664 30 H7 5.2241 -5.0808 -1.7869 H 1 UNK 0.0238 31 H8 4.4812 -5.1095 -0.2057 H 1 UNK 0.0238 32 H9 5.6659 -3.8847 -0.5923 H 1 UNK 0.0238 33 H10 4.6572 -3.2596 -3.4007 H 1 UNK 0.0238 34 H11 5.0989 -2.0634 -2.2061 H 1 UNK 0.0238 35 H12 3.5177 -2.0147 -2.9481 H 1 UNK 0.0238 36 H13 2.8519 -3.3293 0.4415 H 1 UNK 0.0238 37 H14 2.4554 -2.0557 -0.6871 H 1 UNK 0.0238 38 H15 4.0366 -2.1044 0.0549 H 1 UNK 0.0238 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 12 ar 8 7 8 ar 9 8 9 ar 10 8 19 1 11 9 10 ar 12 10 11 ar 13 10 16 1 14 11 12 ar 15 12 13 1 16 13 14 2 17 13 15 2 18 16 17 2 19 16 18 2 20 19 20 1 21 19 21 1 22 19 22 1 23 1 23 1 24 1 24 1 25 1 25 1 26 2 26 1 27 2 27 1 28 9 28 1 29 11 29 1 30 20 30 1 31 20 31 1 32 20 32 1 33 21 33 1 34 21 34 1 35 21 35 1 36 22 36 1 37 22 37 1 38 22 38 1