@MOLECULE FDBD03081 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.3282 0.9036 0.0521 C.3 1 UNK -0.0572 2 C1 0.3543 -0.2587 0.2557 C.3 1 UNK -0.0018 3 C2 0.9938 -1.3060 1.1696 C.3 1 UNK -0.0572 4 C3 -0.9330 0.2613 0.8987 C.3 1 UNK -0.0572 5 C4 0.0280 -0.8937 -1.0975 C.3 1 UNK 0.1467 6 C5 1.2953 -1.0495 -1.8979 C.2 1 UNK 0.2474 7 C6 1.4481 -0.3805 -3.0429 C.2 1 UNK 0.0179 8 C7 0.3322 0.4188 -3.5851 C.ar 1 UNK -0.0189 9 C8 -0.0799 0.2411 -4.9075 C.ar 1 UNK -0.0530 10 C9 -1.1234 0.9912 -5.4083 C.ar 1 UNK -0.0428 11 C10 -1.7621 1.9189 -4.6027 C.ar 1 UNK 0.0410 12 C11 -1.3583 2.0998 -3.2905 C.ar 1 UNK -0.0428 13 C12 -0.3199 1.3519 -2.7761 C.ar 1 UNK -0.0530 14 Cl -3.0744 2.8595 -5.2406 Cl 1 UNK -0.0835 15 N 2.3061 -1.8905 -1.4435 N.ar 1 UNK -0.0345 16 C13 3.5950 -1.8933 -1.8398 C.ar 1 UNK 0.2789 17 N1 4.2202 -2.8323 -1.1767 N.ar 1 UNK -0.2924 18 C14 3.3713 -3.4469 -0.3536 C.ar 1 UNK 0.1656 19 N2 2.1888 -2.9020 -0.4762 N.ar 1 UNK 0.0198 20 O -0.5656 -2.1770 -0.8908 O.3 1 UNK -0.3805 21 H 1.5564 1.3477 0.9985 H 1 UNK 0.0236 22 H1 0.8809 1.6360 -0.5870 H 1 UNK 0.0236 23 H2 2.2285 0.5400 -0.3976 H 1 UNK 0.0236 24 H3 1.2220 -0.8619 2.1160 H 1 UNK 0.0236 25 H4 1.8940 -1.6697 0.7200 H 1 UNK 0.0236 26 H5 0.3126 -2.1188 1.3120 H 1 UNK 0.0236 27 H6 -0.7048 0.7054 1.8451 H 1 UNK 0.0236 28 H7 -1.6141 -0.5515 1.0411 H 1 UNK 0.0236 29 H8 -1.3803 0.9937 0.2596 H 1 UNK 0.0236 30 H9 -0.6556 -0.2662 -1.6303 H 1 UNK 0.0711 31 H10 2.3465 -0.4222 -3.5490 H 1 UNK 0.0687 32 H11 0.3953 -0.4500 -5.5088 H 1 UNK 0.0624 33 H12 -1.4288 0.8608 -6.3854 H 1 UNK 0.0632 34 H13 -1.8354 2.7957 -2.6962 H 1 UNK 0.0632 35 H14 -0.0254 1.4815 -1.7955 H 1 UNK 0.0624 36 H15 4.0147 -1.2651 -2.5428 H 1 UNK 0.1628 37 H16 5.1752 -3.0519 -1.2717 H 1 UNK 0.1720 38 H17 3.6088 -4.2272 0.2787 H 1 UNK 0.1090 39 H18 0.0541 -2.7459 -0.4078 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 20 1 7 6 7 2 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 19 ar 18 15 16 ar 19 16 17 ar 20 17 18 ar 21 18 19 ar 22 1 21 1 23 1 22 1 24 1 23 1 25 3 24 1 26 3 25 1 27 3 26 1 28 4 27 1 29 4 28 1 30 4 29 1 31 5 30 1 32 7 31 1 33 9 32 1 34 10 33 1 35 12 34 1 36 13 35 1 37 16 36 1 38 17 37 1 39 18 38 1 40 20 39 1