@MOLECULE ethyl beta-d-glucopyranoside 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3121 -0.9281 -0.0083 O.3 1 UNL1111111111 -0.4767 2 O 2.1915 0.2707 -0.2214 O.3 1 UNL1111111111 -0.3820 3 O -1.6273 2.5811 -0.7068 O.3 1 UNL1111111111 -0.5250 4 O -3.1436 0.1343 -0.3457 O.3 1 UNL1111111111 -0.5394 5 O 0.7694 2.5137 1.0808 O.3 1 UNL1111111111 -0.5104 6 O -1.2789 -3.3618 0.6165 O.3 1 UNL1111111111 -0.5402 7 C -1.2270 1.5110 0.1238 C.3 1 UNL1111111111 0.0393 8 C -1.7449 0.1855 -0.4612 C.3 1 UNL1111111111 0.0387 9 C 0.3085 1.5746 0.1422 C.3 1 UNL1111111111 0.0582 10 C -1.0696 -0.9902 0.2606 C.3 1 UNL1111111111 0.0199 11 C 0.9893 0.2236 0.4881 C.3 1 UNL1111111111 0.2651 12 C -1.5088 -2.3403 -0.3266 C.3 1 UNL1111111111 -0.0144 13 C 2.9911 -0.9099 -0.1072 C.3 1 UNL1111111111 -0.0118 14 C 4.3409 -0.4869 -0.6720 C.3 1 UNL1111111111 -0.4598 15 H -1.6534 1.7011 1.1355 H 1 UNL1111111111 0.1255 16 H -1.5859 0.1423 -1.5663 H 1 UNL1111111111 0.1802 17 H 0.7040 1.9821 -0.8267 H 1 UNL1111111111 0.2006 18 H -1.2398 -0.9669 1.3597 H 1 UNL1111111111 0.1353 19 H 1.1585 0.0762 1.5741 H 1 UNL1111111111 0.1156 20 H -0.9747 -2.5692 -1.2672 H 1 UNL1111111111 0.1390 21 H -2.6030 -2.3782 -0.4941 H 1 UNL1111111111 0.1607 22 H -2.5612 2.4504 -0.9909 H 1 UNL1111111111 0.3267 23 H -3.4320 0.0313 0.5847 H 1 UNL1111111111 0.3176 24 H 0.2487 2.4933 1.9085 H 1 UNL1111111111 0.3035 25 H 3.0570 -1.2230 0.9478 H 1 UNL1111111111 0.1129 26 H 2.5162 -1.7082 -0.7044 H 1 UNL1111111111 0.1299 27 H -0.3184 -3.4433 0.7955 H 1 UNL1111111111 0.3202 28 H 5.0559 -1.3151 -0.6581 H 1 UNL1111111111 0.1489 29 H 4.2411 -0.1375 -1.7086 H 1 UNL1111111111 0.1612 30 H 4.7666 0.3464 -0.0970 H 1 UNL1111111111 0.1607 @BOND 1 1 10 1 2 1 11 1 3 2 11 1 4 2 13 1 5 3 7 1 6 3 22 1 7 4 8 1 8 4 23 1 9 5 9 1 10 5 24 1 11 6 12 1 12 6 27 1 13 7 8 1 14 7 9 1 15 7 15 1 16 8 10 1 17 8 16 1 18 9 11 1 19 9 17 1 20 10 12 1 21 10 18 1 22 11 19 1 23 12 20 1 24 12 21 1 25 13 14 1 26 13 25 1 27 13 26 1 28 14 28 1 29 14 29 1 30 14 30 1