@MOLECULE FDBD03161 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0365 1.3501 0.0564 C.3 1 UNK 0.0790 2 O 0.0420 -0.0787 0.0338 O.3 1 UNK -0.4915 3 C1 -1.1658 -0.7003 0.0371 C.ar 1 UNK 0.1615 4 C2 -2.3321 0.0526 0.0559 C.ar 1 UNK -0.0157 5 C3 -3.5599 -0.5731 0.0594 C.ar 1 UNK -0.0503 6 C4 -3.6331 -1.9685 0.0438 C.ar 1 UNK -0.0135 7 C5 -2.4591 -2.7264 0.0249 C.ar 1 UNK -0.0086 8 C6 -1.2316 -2.0926 0.0158 C.ar 1 UNK 0.1621 9 O1 -0.0872 -2.8271 -0.0027 O.3 1 UNK -0.4914 10 C7 -0.2290 -4.2491 -0.0118 C.3 1 UNK 0.0790 11 C8 -4.9477 -2.6407 0.0480 C.2 1 UNK -0.0057 12 C9 -5.3375 -3.3832 -1.0278 C.2 1 UNK 0.0086 13 C10 -6.5961 -4.0267 -1.0238 C.2 1 UNK 0.2402 14 O2 -7.3007 -3.9803 -0.0315 O.2 1 UNK -0.2706 15 N -7.0165 -4.6916 -2.1182 N.am 1 UNK -0.2936 16 C11 -6.2384 -4.6637 -3.3669 C.3 1 UNK 0.0385 17 C12 -7.1814 -4.2886 -4.5159 C.3 1 UNK 0.0635 18 O3 -8.3173 -5.1563 -4.4949 O.3 1 UNK -0.3767 19 C13 -9.1109 -5.0531 -3.3103 C.3 1 UNK 0.0635 20 C14 -8.2639 -5.4719 -2.0979 C.3 1 UNK 0.0385 21 C15 -5.8414 -2.5089 1.2179 C.ar 1 UNK -0.0171 22 C16 -6.3791 -1.2643 1.5528 C.ar 1 UNK -0.0526 23 C17 -7.2126 -1.1479 2.6450 C.ar 1 UNK -0.0428 24 C18 -7.5165 -2.2621 3.4098 C.ar 1 UNK 0.0410 25 C19 -6.9863 -3.4993 3.0827 C.ar 1 UNK -0.0428 26 C20 -6.1562 -3.6296 1.9894 C.ar 1 UNK -0.0526 27 Cl -8.5658 -2.1072 4.7841 Cl 1 UNK -0.0835 28 H 1.0439 1.7108 0.0512 H 1 UNK 0.0660 29 H1 -0.4598 1.6909 0.9410 H 1 UNK 0.0660 30 H2 -0.4787 1.7185 -0.8060 H 1 UNK 0.0660 31 H3 -2.2795 1.0832 0.0673 H 1 UNK 0.0655 32 H4 -4.4254 -0.0111 0.0735 H 1 UNK 0.0625 33 H5 -2.5090 -3.7572 0.0178 H 1 UNK 0.0661 34 H6 0.7394 -4.7040 -0.0262 H 1 UNK 0.0660 35 H7 -0.7762 -4.5474 -0.8816 H 1 UNK 0.0660 36 H8 -0.7564 -4.5606 0.8656 H 1 UNK 0.0660 37 H9 -4.7135 -3.4752 -1.8447 H 1 UNK 0.0676 38 H10 -5.8126 -5.6283 -3.5490 H 1 UNK 0.0487 39 H11 -5.4474 -3.9471 -3.2914 H 1 UNK 0.0487 40 H12 -6.6681 -4.3937 -5.4488 H 1 UNK 0.0575 41 H13 -7.5020 -3.2743 -4.4009 H 1 UNK 0.0575 42 H14 -9.9618 -5.6967 -3.3921 H 1 UNK 0.0575 43 H15 -9.4427 -4.0435 -3.1861 H 1 UNK 0.0575 44 H16 -8.8012 -5.2728 -1.1943 H 1 UNK 0.0487 45 H17 -8.0464 -6.5186 -2.1423 H 1 UNK 0.0487 46 H18 -6.1531 -0.4334 0.9840 H 1 UNK 0.0624 47 H19 -7.6109 -0.2288 2.8932 H 1 UNK 0.0632 48 H20 -7.2130 -4.3252 3.6584 H 1 UNK 0.0632 49 H21 -5.7684 -4.5533 1.7418 H 1 UNK 0.0624 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 6 11 1 9 7 8 ar 10 8 9 1 11 9 10 1 12 11 12 2 13 11 21 1 14 12 13 1 15 13 14 2 16 13 15 am 17 15 20 1 18 15 16 1 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 21 26 ar 24 21 22 ar 25 22 23 ar 26 23 24 ar 27 24 25 ar 28 24 27 1 29 25 26 ar 30 1 28 1 31 1 29 1 32 1 30 1 33 4 31 1 34 5 32 1 35 7 33 1 36 10 34 1 37 10 35 1 38 10 36 1 39 12 37 1 40 16 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 19 42 1 45 19 43 1 46 20 44 1 47 20 45 1 48 22 46 1 49 23 47 1 50 25 48 1 51 26 49 1