@MOLECULE melatonin 33 34 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.0245 2.6075 0.2901 O.3 1 UNL11111111 -0.3173 2 O 3.3867 1.3354 0.2739 O.2 1 UNL11111111 -0.5461 3 N -1.4953 -2.8010 -0.4180 N.ar 1 UNL11111111 -0.3630 4 N 2.2444 -0.3157 -0.7816 N.am 1 UNL11111111 -0.5937 5 C 0.2773 -1.8348 0.6318 C.ar 1 UNL11111111 -0.1239 6 C -0.6845 -0.8070 0.3457 C.ar 1 UNL11111111 -0.0217 7 C 1.5962 -1.6118 1.2552 C.3 1 UNL11111111 -0.2874 8 C -1.7809 -1.4372 -0.3198 C.ar 1 UNL11111111 0.0289 9 C -0.2498 -3.0318 0.1643 C.ar 1 UNL11111111 -0.0397 10 C 2.6770 -1.3358 0.1786 C.3 1 UNL11111111 -0.0565 11 C -0.7166 0.5727 0.5890 C.ar 1 UNL11111111 -0.2896 12 C -2.8980 -0.7107 -0.7638 C.ar 1 UNL11111111 -0.1430 13 C -1.8266 1.2667 0.1502 C.ar 1 UNL11111111 0.2161 14 C -2.9130 0.6449 -0.5280 C.ar 1 UNL11111111 -0.2034 15 C 2.5717 1.0146 -0.5669 C.2 1 UNL11111111 0.6069 16 C 1.9041 1.9990 -1.4891 C.3 1 UNL11111111 -0.5370 17 C -1.0493 3.3245 1.0343 C.3 1 UNL11111111 -0.2006 18 H 1.9057 -2.4783 1.8724 H 1 UNL11111111 0.1515 19 H 1.5518 -0.7508 1.9576 H 1 UNL11111111 0.1648 20 H 0.1711 -4.0186 0.2043 H 1 UNL11111111 0.1647 21 H 3.6239 -1.0090 0.6696 H 1 UNL11111111 0.1661 22 H 2.8993 -2.2678 -0.3865 H 1 UNL11111111 0.1350 23 H -2.0827 -3.4841 -0.8327 H 1 UNL11111111 0.3125 24 H 0.1071 1.0433 1.1147 H 1 UNL11111111 0.1758 25 H -3.7197 -1.2081 -1.2709 H 1 UNL11111111 0.1593 26 H -3.7489 1.2669 -0.8436 H 1 UNL11111111 0.1734 27 H 1.4203 -0.5568 -1.3162 H 1 UNL11111111 0.3103 28 H 2.2391 3.0223 -1.2605 H 1 UNL11111111 0.1835 29 H 2.1532 1.8012 -2.5403 H 1 UNL11111111 0.1765 30 H 0.8097 1.9747 -1.3920 H 1 UNL11111111 0.1757 31 H -1.4542 4.3449 1.0255 H 1 UNL11111111 0.1497 32 H -0.0750 3.2941 0.5359 H 1 UNL11111111 0.1343 33 H -0.9830 2.9477 2.0601 H 1 UNL11111111 0.1379 @BOND 1 29 16 1 2 16 30 1 3 16 28 1 4 16 15 1 5 27 4 1 6 25 12 1 7 26 14 1 8 23 3 1 9 4 15 am 10 4 10 1 11 12 14 ar 12 12 8 ar 13 15 2 2 14 14 13 ar 15 3 8 ar 16 3 9 ar 17 22 10 1 18 8 6 ar 19 13 1 1 20 13 11 ar 21 9 20 1 22 9 5 ar 23 10 21 1 24 10 7 1 25 1 17 1 26 6 11 ar 27 6 5 ar 28 32 17 1 29 11 24 1 30 5 7 1 31 31 17 1 32 17 33 1 33 7 18 1 34 7 19 1