@MOLECULE FDBD02970 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2743 1.4316 -0.2526 C.3 1 UNK -0.0344 2 C1 0.1955 -0.0943 -0.1726 C.3 1 UNK 0.1036 3 C2 -1.2720 -0.5280 -0.1267 C.3 1 UNK 0.1733 4 C3 -1.9243 0.0381 1.1383 C.3 1 UNK 0.0422 5 C4 -1.1382 -0.4404 2.3628 C.3 1 UNK 0.0319 6 C5 0.3241 -0.0101 2.2208 C.3 1 UNK 0.2034 7 O 0.8613 -0.5446 1.0090 O.3 1 UNK -0.3391 8 O1 1.0755 -0.5012 3.3327 O.3 1 UNK -0.3378 9 C6 2.3997 0.0291 3.4190 C.3 1 UNK 0.1184 10 C7 3.3610 -0.8699 2.6389 C.3 1 UNK 0.1122 11 C8 4.7787 -0.3022 2.7313 C.3 1 UNK 0.1118 12 C9 5.2106 -0.2451 4.1980 C.3 1 UNK 0.1118 13 C10 4.2493 0.6539 4.9781 C.3 1 UNK 0.1118 14 C11 2.8316 0.0862 4.8857 C.3 1 UNK 0.1122 15 O2 2.8086 -1.2305 5.4406 O.3 1 UNK -0.3865 16 O3 4.6527 0.7072 6.3480 O.3 1 UNK -0.3865 17 O4 6.5348 0.2852 4.2844 O.3 1 UNK -0.3865 18 O5 4.8017 1.0145 2.1765 O.3 1 UNK -0.3865 19 O6 3.3380 -2.1866 3.1938 O.3 1 UNK -0.3865 20 N -1.7108 0.1554 3.5774 N.4 1 UNK 0.2245 21 N1 -1.3498 -1.9908 -0.1065 N.2 1 UNK -0.0757 22 C12 -2.0748 -2.6140 -0.9837 C.cat 1 UNK 0.3265 23 C13 -2.0439 -4.0997 -1.0537 C.2 1 UNK 0.1574 24 O7 -2.7219 -4.6826 -1.8741 O.co2 1 UNK -0.5386 25 O8 -1.2639 -4.7974 -0.2071 O.co2 1 UNK -0.5386 26 N2 -2.8735 -1.8995 -1.8506 N.pl3 1 UNK -0.2455 27 H 1.3000 1.7346 -0.2847 H 1 UNK 0.0256 28 H1 -0.1970 1.8587 0.6078 H 1 UNK 0.0256 29 H2 -0.2250 1.7687 -1.1369 H 1 UNK 0.0256 30 H3 0.6673 -0.5209 -1.0330 H 1 UNK 0.0638 31 H4 -1.7839 -0.1591 -0.9909 H 1 UNK 0.0856 32 H5 -2.9355 -0.3053 1.2047 H 1 UNK 0.0365 33 H6 -1.9179 1.1074 1.1003 H 1 UNK 0.0365 34 H7 -1.1939 -1.5067 2.4326 H 1 UNK 0.0902 35 H8 0.3813 1.0581 2.1962 H 1 UNK 0.0969 36 H9 2.4169 1.0150 3.0035 H 1 UNK 0.0651 37 H10 3.0590 -0.9098 1.6132 H 1 UNK 0.0647 38 H11 5.4509 -0.9310 2.1857 H 1 UNK 0.0647 39 H12 5.1934 -1.2310 4.6135 H 1 UNK 0.0647 40 H13 4.2665 1.6398 4.5626 H 1 UNK 0.0647 41 H14 2.1594 0.7150 5.4313 H 1 UNK 0.0647 42 H15 3.4180 -1.8005 4.9460 H 1 UNK 0.2100 43 H16 4.6371 -0.1865 6.7247 H 1 UNK 0.2100 44 H17 6.5504 1.1790 3.9078 H 1 UNK 0.2100 45 H18 4.1923 1.5845 2.6712 H 1 UNK 0.2100 46 H19 3.6118 -2.1504 4.1237 H 1 UNK 0.2100 47 H20 -1.6592 1.1721 3.5142 H 1 UNK 0.1999 48 H21 -1.1852 -0.1617 4.3920 H 1 UNK 0.1999 49 H22 -2.6856 -0.1306 3.6694 H 1 UNK 0.1999 50 H23 -2.8939 -0.9163 -1.8042 H 1 UNK 0.2885 51 H24 -3.4236 -2.3724 -2.5162 H 1 UNK 0.2885 @BOND 1 1 2 1 2 2 7 1 3 2 3 1 4 3 4 1 5 3 21 1 6 4 5 1 7 5 6 1 8 5 20 1 9 6 7 1 10 6 8 1 11 8 9 1 12 9 14 1 13 9 10 1 14 10 11 1 15 10 19 1 16 11 12 1 17 11 18 1 18 12 13 1 19 12 17 1 20 13 14 1 21 13 16 1 22 14 15 1 23 21 22 2 24 22 23 1 25 22 26 1 26 23 24 ar 27 23 25 ar 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 3 31 1 33 4 32 1 34 4 33 1 35 5 34 1 36 6 35 1 37 9 36 1 38 10 37 1 39 11 38 1 40 12 39 1 41 13 40 1 42 14 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 18 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 20 49 1 51 26 50 1 52 26 51 1