@MOLECULE 2-o-beta-d-glucopyranosyl-d-glucose 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8501 -0.8409 -0.0290 O.3 1 UNL1111111111 -0.4743 2 O 0.2551 -0.3833 -0.6525 O.3 1 UNL1111111111 -0.3931 3 O -2.9705 2.9163 -1.0706 O.3 1 UNL1111111111 -0.5580 4 O -4.7386 1.2824 0.5338 O.3 1 UNL1111111111 -0.5508 5 O -0.2430 2.3596 -0.4299 O.3 1 UNL1111111111 -0.5733 6 O 2.7183 -2.4588 0.9954 O.3 1 UNL1111111111 -0.5264 7 O -3.4589 -2.7603 1.1827 O.3 1 UNL1111111111 -0.5213 8 O 4.1690 -0.9511 -0.4644 O.3 1 UNL1111111111 -0.5388 9 O 2.0772 1.4272 1.2914 O.3 1 UNL1111111111 -0.5737 10 O 1.0632 -3.6262 -1.3721 O.2 1 UNL1111111111 -0.4159 11 O 4.2843 3.1480 0.4730 O.3 1 UNL1111111111 -0.5368 12 C -2.6072 1.8939 -0.1691 C.3 1 UNL1111111111 0.0629 13 C -3.6442 0.7569 -0.1895 C.3 1 UNL1111111111 0.0363 14 C -1.2453 1.4058 -0.6985 C.3 1 UNL1111111111 0.0756 15 C -3.0831 -0.4702 0.5593 C.3 1 UNL1111111111 0.0275 16 C -0.8238 0.1376 0.0755 C.3 1 UNL1111111111 0.2916 17 C 0.7611 -1.6146 -0.1434 C.3 1 UNL1111111111 -0.0685 18 C -3.9522 -1.7260 0.3654 C.3 1 UNL1111111111 -0.0218 19 C 2.0399 -1.2818 0.6571 C.3 1 UNL1111111111 0.0708 20 C 2.9548 -0.3233 -0.1439 C.3 1 UNL1111111111 0.0375 21 C 3.2445 0.9704 0.6530 C.3 1 UNL1111111111 0.0585 22 C 1.0617 -2.4238 -1.4024 C.2 1 UNL1111111111 0.3285 23 C 3.7966 2.0581 -0.2775 C.3 1 UNL1111111111 -0.0544 24 H -2.5279 2.3427 0.8498 H 1 UNL1111111111 0.1545 25 H -3.9564 0.5147 -1.2270 H 1 UNL1111111111 0.1468 26 H -1.2607 1.2371 -1.8007 H 1 UNL1111111111 0.1712 27 H -2.9334 -0.2540 1.6415 H 1 UNL1111111111 0.1567 28 H -0.5562 0.3053 1.1385 H 1 UNL1111111111 0.1380 29 H 0.0255 -2.1509 0.4956 H 1 UNL1111111111 0.1737 30 H -3.9586 -2.0606 -0.6889 H 1 UNL1111111111 0.1349 31 H -4.9838 -1.5770 0.7312 H 1 UNL1111111111 0.1452 32 H 1.7767 -0.8591 1.6590 H 1 UNL1111111111 0.1785 33 H 2.5354 -0.0870 -1.1503 H 1 UNL1111111111 0.1610 34 H -3.8730 3.2470 -0.8599 H 1 UNL1111111111 0.3410 35 H -5.5414 0.7377 0.4051 H 1 UNL1111111111 0.3265 36 H -0.5971 3.2689 -0.5649 H 1 UNL1111111111 0.3524 37 H 3.9329 0.7841 1.5096 H 1 UNL1111111111 0.1615 38 H 1.2538 -1.8607 -2.3235 H 1 UNL1111111111 0.1343 39 H 4.6818 1.7097 -0.8443 H 1 UNL1111111111 0.1602 40 H 3.0283 2.4288 -0.9809 H 1 UNL1111111111 0.1269 41 H 2.9963 -2.9645 0.1943 H 1 UNL1111111111 0.3317 42 H -2.5325 -2.9715 0.9257 H 1 UNL1111111111 0.3260 43 H 4.6210 -1.2830 0.3465 H 1 UNL1111111111 0.3311 44 H 1.3667 1.6405 0.6418 H 1 UNL1111111111 0.3437 45 H 3.6141 3.4123 1.1411 H 1 UNL1111111111 0.3219 @BOND 1 1 15 1 2 1 16 1 3 2 16 1 4 2 17 1 5 3 12 1 6 3 34 1 7 4 13 1 8 4 35 1 9 5 14 1 10 5 36 1 11 6 19 1 12 6 41 1 13 7 18 1 14 7 42 1 15 8 20 1 16 8 43 1 17 9 21 1 18 9 44 1 19 10 22 2 20 11 23 1 21 11 45 1 22 12 13 1 23 12 14 1 24 12 24 1 25 13 15 1 26 13 25 1 27 14 16 1 28 14 26 1 29 15 18 1 30 15 27 1 31 16 28 1 32 17 19 1 33 17 22 1 34 17 29 1 35 18 30 1 36 18 31 1 37 19 20 1 38 19 32 1 39 20 21 1 40 20 33 1 41 21 23 1 42 21 37 1 43 22 38 1 44 23 39 1 45 23 40 1