@MOLECULE 4,6-o-benzylidene-d-glucopyranose 35 37 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.8704 -0.2079 1.2644 O.3 1 UNL111111111 -0.4409 2 O 0.1199 0.7630 -0.7160 O.3 1 UNL111111111 -0.4553 3 O 0.6233 1.1291 1.5365 O.3 1 UNL111111111 -0.3973 4 O -3.3041 0.8887 -1.6601 O.3 1 UNL111111111 -0.5548 5 O -0.9465 -1.7202 -0.9134 O.3 1 UNL111111111 -0.5457 6 O -2.8190 -2.2205 1.0436 O.3 1 UNL111111111 -0.5216 7 C -1.2019 1.2527 -0.5906 C.3 1 UNL111111111 0.0158 8 C -1.7133 1.1326 0.8562 C.3 1 UNL111111111 0.0395 9 C -2.0026 0.3494 -1.5594 C.3 1 UNL111111111 0.0727 10 C -2.1846 -1.0641 -0.9736 C.3 1 UNL111111111 0.0430 11 C -2.7701 -0.9643 0.4548 C.3 1 UNL111111111 0.3070 12 C -0.6469 1.6763 1.8191 C.3 1 UNL111111111 -0.0605 13 C 1.0485 1.3138 0.2079 C.3 1 UNL111111111 0.3051 14 C 2.2702 0.4543 0.0412 C.ar 1 UNL111111111 -0.0724 15 C 3.3182 0.8899 -0.7686 C.ar 1 UNL111111111 -0.1343 16 C 2.3287 -0.7855 0.6764 C.ar 1 UNL111111111 -0.1045 17 C 4.4341 0.0744 -0.9416 C.ar 1 UNL111111111 -0.1551 18 C 3.4495 -1.5954 0.5032 C.ar 1 UNL111111111 -0.1524 19 C 4.4996 -1.1656 -0.3063 C.ar 1 UNL111111111 -0.1253 20 H -1.2215 2.3116 -0.9279 H 1 UNL111111111 0.1300 21 H -2.6888 1.6573 0.9709 H 1 UNL111111111 0.1389 22 H -1.5066 0.3009 -2.5532 H 1 UNL111111111 0.1467 23 H -2.8098 -1.7142 -1.6232 H 1 UNL111111111 0.1670 24 H -3.7975 -0.5583 0.5201 H 1 UNL111111111 0.1450 25 H -0.8241 1.3177 2.8559 H 1 UNL111111111 0.1736 26 H -0.5964 2.7774 1.8019 H 1 UNL111111111 0.1242 27 H 1.1770 2.3942 -0.0089 H 1 UNL111111111 0.1149 28 H -3.3735 1.5068 -2.4139 H 1 UNL111111111 0.3243 29 H -0.2621 -1.1090 -0.5298 H 1 UNL111111111 0.3527 30 H -1.9260 -2.6480 1.0072 H 1 UNL111111111 0.3428 31 H 3.2649 1.8549 -1.2678 H 1 UNL111111111 0.1495 32 H 1.5001 -1.1118 1.3092 H 1 UNL111111111 0.1724 33 H 5.2545 0.4051 -1.5748 H 1 UNL111111111 0.1496 34 H 3.5001 -2.5640 0.9977 H 1 UNL111111111 0.1571 35 H 5.3730 -1.8003 -0.4452 H 1 UNL111111111 0.1485 @BOND 1 22 9 1 2 28 4 1 3 4 9 1 4 23 10 1 5 33 17 1 6 9 10 1 7 9 7 1 8 31 15 1 9 10 5 1 10 10 11 1 11 17 15 ar 12 17 19 ar 13 20 7 1 14 5 29 1 15 15 14 ar 16 2 7 1 17 2 13 1 18 7 8 1 19 35 19 1 20 19 18 ar 21 27 13 1 22 14 13 1 23 14 16 ar 24 13 3 1 25 11 24 1 26 11 6 1 27 11 1 1 28 18 16 ar 29 18 34 1 30 16 32 1 31 8 21 1 32 8 1 1 33 8 12 1 34 30 6 1 35 3 12 1 36 26 12 1 37 12 25 1