@MOLECULE etbe 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.4730 0.4579 0.1302 O.3 1 UNL11111111 -0.4388 2 C 0.8663 0.0084 -0.0079 C.3 1 UNL11111111 0.3354 3 C 1.6528 1.3007 0.2685 C.3 1 UNL11111111 -0.4756 4 C 1.1253 -0.4928 -1.4337 C.3 1 UNL11111111 -0.5072 5 C 1.1999 -1.0677 1.0313 C.3 1 UNL11111111 -0.5084 6 C -1.4973 -0.5182 0.0194 C.3 1 UNL11111111 -0.0119 7 C -2.7850 0.3020 -0.0072 C.3 1 UNL11111111 -0.4575 8 H 1.4415 1.6746 1.2774 H 1 UNL11111111 0.1576 9 H 1.3566 2.0906 -0.4325 H 1 UNL11111111 0.1586 10 H 2.7293 1.1410 0.1759 H 1 UNL11111111 0.1481 11 H 0.7285 0.2194 -2.1675 H 1 UNL11111111 0.1600 12 H 2.1970 -0.6082 -1.6232 H 1 UNL11111111 0.1522 13 H 0.6508 -1.4598 -1.6225 H 1 UNL11111111 0.1466 14 H 0.8485 -0.7646 2.0251 H 1 UNL11111111 0.1593 15 H 2.2801 -1.2324 1.0953 H 1 UNL11111111 0.1531 16 H 0.7340 -2.0279 0.7927 H 1 UNL11111111 0.1471 17 H -1.4545 -1.1867 0.8973 H 1 UNL11111111 0.1117 18 H -1.3689 -1.1090 -0.9025 H 1 UNL11111111 0.1109 19 H -3.6667 -0.3423 -0.0658 H 1 UNL11111111 0.1451 20 H -2.7956 0.9849 -0.8660 H 1 UNL11111111 0.1561 21 H -2.8686 0.9243 0.8932 H 1 UNL11111111 0.1575 @BOND 1 11 4 1 2 12 4 1 3 13 4 1 4 4 2 1 5 18 6 1 6 20 7 1 7 9 3 1 8 19 7 1 9 2 1 1 10 2 3 1 11 2 5 1 12 7 6 1 13 7 21 1 14 6 1 1 15 6 17 1 16 10 3 1 17 3 8 1 18 16 5 1 19 5 15 1 20 5 14 1