@MOLECULE FDBD03052 45 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.5284 1.3145 -0.3732 C.3 1 UNK -0.0364 2 C1 -0.2717 -0.1821 -0.1855 C.3 1 UNK 0.0831 3 C2 0.5462 -0.7572 -1.3688 C.3 1 UNK 0.0775 4 O 1.2187 -1.8891 -0.7809 O.3 1 UNK -0.3374 5 C3 1.2505 -1.6768 0.6366 C.3 1 UNK 0.2623 6 C4 0.4985 -2.8068 1.3426 C.3 1 UNK 0.2355 7 N 1.0997 -4.0932 0.9822 N.ar 1 UNK -0.0657 8 C5 1.5496 -5.0372 1.8270 C.ar 1 UNK 0.2727 9 N1 2.0107 -6.0330 1.1147 N.ar 1 UNK -0.2928 10 C6 1.8730 -5.7626 -0.1827 C.ar 1 UNK 0.1651 11 N2 1.3150 -4.5879 -0.3145 N.ar 1 UNK 0.0139 12 C7 2.6802 -1.6458 1.1120 C.ar 1 UNK 0.0361 13 C8 3.0852 -2.4813 2.1366 C.ar 1 UNK -0.0484 14 C9 4.3949 -2.4546 2.5746 C.ar 1 UNK -0.0188 15 C10 5.3054 -1.5886 1.9855 C.ar 1 UNK 0.1298 16 C11 4.8978 -0.7514 0.9574 C.ar 1 UNK -0.0006 17 C12 3.5869 -0.7853 0.5187 C.ar 1 UNK 0.0529 18 Cl 3.0753 0.2615 -0.7682 Cl 1 UNK -0.0830 19 O1 6.5942 -1.5607 2.4153 O.3 1 UNK -0.4560 20 C13 6.9773 -2.4769 3.3431 C.ar 1 UNK 0.1285 21 C14 7.2066 -3.7925 2.9668 C.ar 1 UNK -0.0180 22 C15 7.5959 -4.7223 3.9113 C.ar 1 UNK -0.0399 23 C16 7.7568 -4.3424 5.2321 C.ar 1 UNK 0.0412 24 C17 7.5285 -3.0308 5.6095 C.ar 1 UNK -0.0399 25 C18 7.1451 -2.0967 4.6669 C.ar 1 UNK -0.0180 26 Cl1 8.2450 -5.5130 6.4175 Cl 1 UNK -0.0835 27 O2 0.6194 -0.4192 0.9307 O.3 1 UNK -0.3346 28 H -1.0938 1.6861 0.4558 H 1 UNK 0.0255 29 H1 -1.0772 1.4715 -1.2782 H 1 UNK 0.0255 30 H2 0.4062 1.8325 -0.4284 H 1 UNK 0.0255 31 H3 -1.2403 -0.6221 -0.0708 H 1 UNK 0.0617 32 H4 1.2503 -0.0391 -1.7342 H 1 UNK 0.0587 33 H5 -0.0593 -1.0184 -2.2114 H 1 UNK 0.0587 34 H6 -0.5278 -2.7956 1.0403 H 1 UNK 0.1115 35 H7 0.5598 -2.6687 2.4019 H 1 UNK 0.1115 36 H8 1.5340 -4.9854 2.8576 H 1 UNK 0.1623 37 H9 2.4010 -6.8587 1.4823 H 1 UNK 0.1720 38 H10 2.1603 -6.3804 -0.9578 H 1 UNK 0.1090 39 H11 2.4082 -3.1255 2.5745 H 1 UNK 0.0624 40 H12 4.6962 -3.0783 3.3396 H 1 UNK 0.0654 41 H13 5.5722 -0.1039 0.5204 H 1 UNK 0.0669 42 H14 7.0864 -4.0762 1.9819 H 1 UNK 0.0655 43 H15 7.7668 -5.7009 3.6317 H 1 UNK 0.0633 44 H16 7.6448 -2.7503 6.5958 H 1 UNK 0.0633 45 H17 6.9836 -1.1167 4.9471 H 1 UNK 0.0655 @BOND 1 1 2 1 2 2 27 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 12 1 8 5 27 1 9 6 7 1 10 7 11 ar 11 7 8 ar 12 8 9 ar 13 9 10 ar 14 10 11 ar 15 12 17 ar 16 12 13 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 15 19 1 21 16 17 ar 22 17 18 1 23 19 20 1 24 20 25 ar 25 20 21 ar 26 21 22 ar 27 22 23 ar 28 23 24 ar 29 23 26 1 30 24 25 ar 31 1 28 1 32 1 29 1 33 1 30 1 34 2 31 1 35 3 32 1 36 3 33 1 37 6 34 1 38 6 35 1 39 8 36 1 40 9 37 1 41 10 38 1 42 13 39 1 43 14 40 1 44 16 41 1 45 21 42 1 46 22 43 1 47 24 44 1 48 25 45 1