@MOLECULE FDBD03053 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3241 0.8531 0.0211 C.3 1 UNK -0.0572 2 C1 0.3304 -0.2949 0.2096 C.3 1 UNK -0.0018 3 C2 0.9523 -1.3652 1.1088 C.3 1 UNK -0.0572 4 C3 -0.9475 0.2383 0.8603 C.3 1 UNK -0.0572 5 C4 -0.0072 -0.9059 -1.1519 C.3 1 UNK 0.1467 6 C5 1.2607 -1.1034 -1.9422 C.2 1 UNK 0.2474 7 C6 1.4375 -0.4521 -3.0940 C.2 1 UNK 0.0193 8 C7 0.3462 0.3697 -3.6520 C.ar 1 UNK -0.0006 9 C8 -0.2558 1.3593 -2.8720 C.ar 1 UNK -0.0516 10 C9 -1.2749 2.1244 -3.3994 C.ar 1 UNK -0.0427 11 C10 -1.7021 1.9134 -4.6999 C.ar 1 UNK 0.0424 12 C11 -1.1105 0.9339 -5.4790 C.ar 1 UNK -0.0245 13 C12 -0.0854 0.1649 -4.9652 C.ar 1 UNK 0.0497 14 Cl 0.6557 -1.0631 -5.9432 Cl 1 UNK -0.0829 15 Cl1 -2.9856 2.8811 -5.3555 Cl 1 UNK -0.0835 16 N 2.2470 -1.9645 -1.4714 N.ar 1 UNK -0.0345 17 C13 3.5495 -1.9700 -1.8202 C.ar 1 UNK 0.2789 18 N1 4.1420 -2.9303 -1.1574 N.ar 1 UNK -0.2924 19 C14 3.2582 -3.5561 -0.3807 C.ar 1 UNK 0.1656 20 N2 2.0857 -2.9973 -0.5334 N.ar 1 UNK 0.0198 21 O -0.6510 -2.1674 -0.9615 O.3 1 UNK -0.3805 22 H 1.5602 1.2804 0.9732 H 1 UNK 0.0236 23 H1 0.8892 1.6016 -0.6078 H 1 UNK 0.0236 24 H2 2.2178 0.4801 -0.4340 H 1 UNK 0.0236 25 H3 1.1884 -0.9379 2.0610 H 1 UNK 0.0236 26 H4 1.8460 -1.7381 0.6537 H 1 UNK 0.0236 27 H5 0.2574 -2.1681 1.2406 H 1 UNK 0.0236 28 H6 -0.7114 0.6656 1.8124 H 1 UNK 0.0236 29 H7 -1.6424 -0.5646 0.9921 H 1 UNK 0.0236 30 H8 -1.3824 0.9868 0.2314 H 1 UNK 0.0236 31 H9 -0.6614 -0.2485 -1.6855 H 1 UNK 0.0711 32 H10 2.3374 -0.5233 -3.5942 H 1 UNK 0.0688 33 H11 0.0613 1.5178 -1.9028 H 1 UNK 0.0624 34 H12 -1.7203 2.8559 -2.8236 H 1 UNK 0.0632 35 H13 -1.4364 0.7782 -6.4457 H 1 UNK 0.0647 36 H14 4.0001 -1.3292 -2.4921 H 1 UNK 0.1628 37 H15 5.0979 -3.1566 -1.2228 H 1 UNK 0.1720 38 H16 3.4656 -4.3532 0.2411 H 1 UNK 0.1090 39 H17 -0.0579 -2.7634 -0.4778 H 1 UNK 0.2105 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 21 1 7 6 7 2 8 6 16 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 15 1 16 12 13 ar 17 13 14 1 18 16 20 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 19 20 ar 23 1 22 1 24 1 23 1 25 1 24 1 26 3 25 1 27 3 26 1 28 3 27 1 29 4 28 1 30 4 29 1 31 4 30 1 32 5 31 1 33 7 32 1 34 9 33 1 35 10 34 1 36 12 35 1 37 17 36 1 38 18 37 1 39 19 38 1 40 21 39 1