@MOLECULE 6-deoxy-alpha-d-gluco-heptopyranosyl 6-deoxy-alpha-d-gluco-heptopyranoside 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0035 -0.1298 0.0861 O.3 1 UNL1111111111 -0.5416 2 O 1.8013 0.6166 -1.1460 O.3 1 UNL1111111111 -0.4372 3 O -1.7986 1.2711 -0.2365 O.3 1 UNL1111111111 -0.4387 4 O -0.2876 -2.3583 -1.4405 O.3 1 UNL1111111111 -0.5328 5 O 0.3078 0.6479 2.6726 O.3 1 UNL1111111111 -0.5334 6 O 2.3989 -3.4043 -0.8689 O.3 1 UNL1111111111 -0.5635 7 O -2.3718 -0.2541 3.5015 O.3 1 UNL1111111111 -0.5629 8 O 3.8307 -1.5683 0.8589 O.3 1 UNL1111111111 -0.5563 9 O -3.7950 -1.3353 1.2238 O.3 1 UNL1111111111 -0.5525 10 O 4.6555 3.4556 -0.2615 O.3 1 UNL1111111111 -0.5462 11 O -4.8161 1.2411 -3.0534 O.3 1 UNL1111111111 -0.5543 12 C 0.6196 -0.1201 -1.1844 C.3 1 UNL1111111111 0.2894 13 C -0.6151 1.0828 0.4712 C.3 1 UNL1111111111 0.2898 14 C 0.8988 -1.6111 -1.4703 C.3 1 UNL1111111111 0.0293 15 C -0.8865 0.8934 1.9789 C.3 1 UNL1111111111 0.0292 16 C 1.8908 -2.1590 -0.4338 C.3 1 UNL1111111111 0.0476 17 C -1.8674 -0.2704 2.1810 C.3 1 UNL1111111111 0.0472 18 C 2.7389 0.2278 -0.1454 C.3 1 UNL1111111111 0.1069 19 C -2.7379 0.1999 -0.1723 C.3 1 UNL1111111111 0.1024 20 C 3.1337 -1.2546 -0.3293 C.3 1 UNL1111111111 0.0713 21 C -3.1173 -0.0982 1.2954 C.3 1 UNL1111111111 0.0733 22 C 3.9310 1.1517 -0.3741 C.3 1 UNL1111111111 -0.3524 23 C -3.9376 0.7126 -0.9605 C.3 1 UNL1111111111 -0.3181 24 C 3.5721 2.5913 0.0068 C.3 1 UNL1111111111 0.0118 25 C -3.5928 0.8485 -2.4457 C.3 1 UNL1111111111 0.0122 26 H -0.0028 0.3991 -1.9431 H 1 UNL1111111111 0.1592 27 H 0.0065 1.9648 0.2091 H 1 UNL1111111111 0.1603 28 H 1.2696 -1.7573 -2.5125 H 1 UNL1111111111 0.1752 29 H -1.2633 1.8365 2.4412 H 1 UNL1111111111 0.1761 30 H 1.4113 -2.3109 0.5589 H 1 UNL1111111111 0.1452 31 H -1.3807 -1.2569 2.0117 H 1 UNL1111111111 0.1446 32 H 2.2793 0.3855 0.8570 H 1 UNL1111111111 0.1442 33 H -2.2842 -0.7005 -0.6457 H 1 UNL1111111111 0.1436 34 H 3.8113 -1.4114 -1.1975 H 1 UNL1111111111 0.1505 35 H -3.8024 0.6673 1.7227 H 1 UNL1111111111 0.1513 36 H 4.2527 1.1217 -1.4356 H 1 UNL1111111111 0.1722 37 H 4.7951 0.7903 0.2200 H 1 UNL1111111111 0.1684 38 H -4.2856 1.6907 -0.5703 H 1 UNL1111111111 0.1704 39 H -4.7966 0.0171 -0.8341 H 1 UNL1111111111 0.1838 40 H 2.7677 2.9993 -0.6361 H 1 UNL1111111111 0.1496 41 H 3.2842 2.6855 1.0686 H 1 UNL1111111111 0.1157 42 H -3.2657 -0.1090 -2.8879 H 1 UNL1111111111 0.1138 43 H -2.8316 1.6291 -2.6213 H 1 UNL1111111111 0.1197 44 H -0.8062 -2.1618 -0.6256 H 1 UNL1111111111 0.3313 45 H 0.8210 -0.0748 2.2423 H 1 UNL1111111111 0.3296 46 H 1.6590 -3.9847 -1.1579 H 1 UNL1111111111 0.3390 47 H -1.6325 -0.1500 4.1411 H 1 UNL1111111111 0.3379 48 H 4.0633 -2.5247 0.8622 H 1 UNL1111111111 0.3394 49 H -4.0441 -1.6282 2.1299 H 1 UNL1111111111 0.3382 50 H 5.4410 3.2038 0.2608 H 1 UNL1111111111 0.3100 51 H -4.6916 1.3813 -4.0097 H 1 UNL1111111111 0.3102 @BOND 1 1 12 1 2 1 13 1 3 2 12 1 4 2 18 1 5 3 13 1 6 3 19 1 7 4 14 1 8 4 44 1 9 5 15 1 10 5 45 1 11 6 16 1 12 6 46 1 13 7 17 1 14 7 47 1 15 8 20 1 16 8 48 1 17 9 21 1 18 9 49 1 19 10 24 1 20 10 50 1 21 11 25 1 22 11 51 1 23 12 14 1 24 12 26 1 25 13 15 1 26 13 27 1 27 14 16 1 28 14 28 1 29 15 17 1 30 15 29 1 31 16 20 1 32 16 30 1 33 17 21 1 34 17 31 1 35 18 20 1 36 18 22 1 37 18 32 1 38 19 21 1 39 19 23 1 40 19 33 1 41 20 34 1 42 21 35 1 43 22 24 1 44 22 36 1 45 22 37 1 46 23 25 1 47 23 38 1 48 23 39 1 49 24 40 1 50 24 41 1 51 25 42 1 52 25 43 1