@MOLECULE FDBD02985 46 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.5314 -2.8329 2.1998 C.3 1 UNK 0.0833 2 O -0.2318 -2.0166 1.0370 O.3 1 UNK -0.4519 3 C1 0.3694 -2.6283 -0.0010 C.2 1 UNK 0.4305 4 O1 0.6364 -3.8120 0.0632 O.2 1 UNK -0.2236 5 N 0.6750 -1.9278 -1.1111 N.am 1 UNK -0.1136 6 C2 1.2999 -2.5636 -2.1899 C.ar 1 UNK 0.0740 7 C3 2.6815 -2.7037 -2.2098 C.ar 1 UNK -0.0375 8 C4 3.2951 -3.3315 -3.2757 C.ar 1 UNK -0.0599 9 C5 2.5353 -3.8207 -4.3227 C.ar 1 UNK -0.0613 10 C6 1.1598 -3.6824 -4.3061 C.ar 1 UNK -0.0535 11 C7 0.5395 -3.0608 -3.2398 C.ar 1 UNK 0.0135 12 C8 -0.9599 -2.9105 -3.2225 C.3 1 UNK 0.1181 13 O2 -1.4992 -3.3716 -4.4629 O.3 1 UNK -0.4695 14 C9 -2.8490 -3.3044 -4.6121 C.ar 1 UNK 0.2511 15 C10 -3.5725 -3.7093 -5.7444 C.ar 1 UNK 0.0691 16 C11 -4.8842 -3.4823 -5.5034 C.ar 1 UNK 0.2078 17 N1 -4.9894 -2.9506 -4.2586 N.ar 1 UNK -0.0738 18 C12 -6.1786 -2.5696 -3.6222 C.ar 1 UNK 0.2379 19 C13 -7.3962 -2.7303 -4.2699 C.ar 1 UNK 0.0138 20 C14 -8.5667 -2.3546 -3.6406 C.ar 1 UNK -0.0371 21 C15 -8.5267 -1.8184 -2.3654 C.ar 1 UNK 0.0414 22 C16 -7.3144 -1.6572 -1.7177 C.ar 1 UNK -0.0371 23 C17 -6.1416 -2.0363 -2.3408 C.ar 1 UNK 0.0138 24 Cl -9.9998 -1.3466 -1.5772 Cl 1 UNK -0.0835 25 N2 -3.6995 -2.8554 -3.7206 N.ar 1 UNK -0.1223 26 O3 0.3638 -0.5484 -1.1858 O.3 1 UNK -0.2731 27 C18 1.3636 0.3042 -0.6241 C.3 1 UNK 0.0630 28 H -1.0045 -2.2300 2.9465 H 1 UNK 0.0661 29 H1 0.3765 -3.2405 2.5929 H 1 UNK 0.0661 30 H2 -1.1870 -3.6298 1.9168 H 1 UNK 0.0661 31 H3 3.2490 -2.3390 -1.4288 H 1 UNK 0.0637 32 H4 4.3217 -3.4358 -3.2911 H 1 UNK 0.0618 33 H5 2.9961 -4.2900 -5.1180 H 1 UNK 0.0618 34 H6 0.5959 -4.0439 -5.0912 H 1 UNK 0.0622 35 H7 -1.2135 -1.8802 -3.0843 H 1 UNK 0.0749 36 H8 -1.3671 -3.4888 -2.4196 H 1 UNK 0.0749 37 H9 -3.1743 -4.1095 -6.6083 H 1 UNK 0.0732 38 H10 -5.6646 -3.6781 -6.1496 H 1 UNK 0.1407 39 H11 -7.4265 -3.1302 -5.2208 H 1 UNK 0.0685 40 H12 -9.4719 -2.4738 -4.1216 H 1 UNK 0.0634 41 H13 -7.2867 -1.2534 -0.7684 H 1 UNK 0.0634 42 H14 -5.2385 -1.9233 -1.8544 H 1 UNK 0.0685 43 H15 -3.4709 -2.5108 -2.8272 H 1 UNK 0.2408 44 H16 1.0562 1.3247 -0.7187 H 1 UNK 0.0547 45 H17 2.2879 0.1605 -1.1437 H 1 UNK 0.0547 46 H18 1.4953 0.0658 0.4107 H 1 UNK 0.0547 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 am 5 5 6 1 6 5 26 1 7 6 11 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 1 14 12 13 1 15 13 14 1 16 14 25 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 1 21 17 25 ar 22 18 23 ar 23 18 19 ar 24 19 20 ar 25 20 21 ar 26 21 22 ar 27 21 24 1 28 22 23 ar 29 26 27 1 30 1 28 1 31 1 29 1 32 1 30 1 33 7 31 1 34 8 32 1 35 9 33 1 36 10 34 1 37 12 35 1 38 12 36 1 39 15 37 1 40 16 38 1 41 19 39 1 42 20 40 1 43 22 41 1 44 23 42 1 45 25 43 1 46 27 44 1 47 27 45 1 48 27 46 1