@MOLECULE FDBD03068 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1056 1.9698 -0.1056 C.3 1 UNK -0.0570 2 C1 -0.1125 0.4583 -0.0122 C.3 1 UNK 0.0003 3 C2 -1.6101 0.1461 0.0166 C.3 1 UNK -0.0570 4 C3 0.5523 -0.2468 -1.2124 C.3 1 UNK -0.0447 5 C4 1.9370 -0.6864 -0.6753 C.3 1 UNK -0.0465 6 C5 1.6190 -1.1168 0.7782 C.3 1 UNK -0.0016 7 C6 2.8750 -1.0350 1.6479 C.3 1 UNK -0.0220 8 C7 3.8922 -2.0324 1.1564 C.ar 1 UNK -0.0469 9 C8 3.8993 -3.3187 1.6629 C.ar 1 UNK -0.0572 10 C9 4.8319 -4.2339 1.2125 C.ar 1 UNK -0.0431 11 C10 5.7586 -3.8625 0.2546 C.ar 1 UNK 0.0410 12 C11 5.7510 -2.5751 -0.2519 C.ar 1 UNK -0.0431 13 C12 4.8142 -1.6624 0.1951 C.ar 1 UNK -0.0572 14 Cl 6.9307 -5.0113 -0.3112 Cl 1 UNK -0.0835 15 C13 0.5656 -0.0949 1.2535 C.3 1 UNK 0.1352 16 C14 1.2458 1.0398 2.0221 C.3 1 UNK 0.2068 17 N 1.8152 0.5146 3.2656 N.ar 1 UNK -0.0686 18 C15 3.0856 0.6408 3.6864 C.ar 1 UNK 0.2726 19 N1 3.1929 0.0352 4.8411 N.ar 1 UNK -0.2928 20 C16 2.0174 -0.4872 5.1884 C.ar 1 UNK 0.1651 21 N2 1.1406 -0.2155 4.2578 N.ar 1 UNK 0.0138 22 O -0.4014 -0.7394 2.0851 O.3 1 UNK -0.3814 23 H -0.3588 2.4495 0.7305 H 1 UNK 0.0236 24 H1 -0.3267 2.3371 -1.0128 H 1 UNK 0.0236 25 H2 1.1548 2.1798 -0.0998 H 1 UNK 0.0236 26 H3 -2.0613 0.6395 0.8520 H 1 UNK 0.0236 27 H4 -1.7525 -0.9105 0.1069 H 1 UNK 0.0236 28 H5 -2.0638 0.4910 -0.8890 H 1 UNK 0.0236 29 H6 0.6613 0.4276 -2.0360 H 1 UNK 0.0271 30 H7 -0.0264 -1.0700 -1.5762 H 1 UNK 0.0271 31 H8 2.6332 0.1259 -0.6934 H 1 UNK 0.0269 32 H9 2.3912 -1.4610 -1.2572 H 1 UNK 0.0269 33 H10 1.2701 -2.1264 0.8410 H 1 UNK 0.0334 34 H11 2.6206 -1.2560 2.6635 H 1 UNK 0.0317 35 H12 3.2856 -0.0486 1.5896 H 1 UNK 0.0317 36 H13 3.2081 -3.5956 2.3775 H 1 UNK 0.0621 37 H14 4.8370 -5.1941 1.5906 H 1 UNK 0.0632 38 H15 6.4447 -2.2963 -0.9633 H 1 UNK 0.0632 39 H16 4.8030 -0.7045 -0.1888 H 1 UNK 0.0621 40 H17 0.5255 1.7971 2.2515 H 1 UNK 0.1085 41 H18 2.0259 1.4596 1.4220 H 1 UNK 0.1085 42 H19 3.8440 1.1301 3.1859 H 1 UNK 0.1623 43 H20 4.0187 -0.0255 5.3737 H 1 UNK 0.1720 44 H21 1.8296 -1.0199 6.0521 H 1 UNK 0.1090 45 H22 -0.8271 -1.4567 1.5899 H 1 UNK 0.2105 @BOND 1 1 2 1 2 2 15 1 3 2 3 1 4 2 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 15 1 9 7 8 1 10 8 13 ar 11 8 9 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 11 14 1 16 12 13 ar 17 15 16 1 18 15 22 1 19 16 17 1 20 17 21 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 1 23 1 26 1 24 1 27 1 25 1 28 3 26 1 29 3 27 1 30 3 28 1 31 4 29 1 32 4 30 1 33 5 31 1 34 5 32 1 35 6 33 1 36 7 34 1 37 7 35 1 38 9 36 1 39 10 37 1 40 12 38 1 41 13 39 1 42 16 40 1 43 16 41 1 44 18 42 1 45 19 43 1 46 20 44 1 47 22 45 1