@MOLECULE epilactose 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9688 0.9180 1.0087 O.3 1 UNL1111111111 -0.4891 2 O 0.6195 1.1676 -0.6059 O.3 1 UNL1111111111 -0.4719 3 O -3.6671 0.0840 -2.0359 O.3 1 UNL1111111111 -0.5154 4 O -1.6082 2.1337 -2.3468 O.3 1 UNL1111111111 -0.5585 5 O -2.5381 -1.3300 0.0756 O.3 1 UNL1111111111 -0.5221 6 O 1.8191 -1.5126 1.5614 O.3 1 UNL1111111111 -0.5628 7 O -1.9931 0.6732 3.7334 O.3 1 UNL1111111111 -0.5427 8 O 3.7451 -0.1445 0.3173 O.3 1 UNL1111111111 -0.5927 9 O 0.1290 -1.6379 -1.5590 O.3 1 UNL1111111111 -0.5671 10 O 4.6979 2.3065 -0.2211 O.3 1 UNL1111111111 -0.5429 11 O 0.6956 -4.1081 -0.8092 O.2 1 UNL1111111111 -0.4354 12 C -3.0113 0.8158 -1.0267 C.3 1 UNL1111111111 0.0581 13 C -1.5512 1.0690 -1.4168 C.3 1 UNL1111111111 0.0075 14 C -3.0777 -0.0535 0.2417 C.3 1 UNL1111111111 0.0794 15 C -0.6904 1.5368 -0.2199 C.3 1 UNL1111111111 0.3045 16 C -2.3269 0.6937 1.3578 C.3 1 UNL1111111111 0.0252 17 C 1.4472 0.5331 0.3481 C.3 1 UNL1111111111 0.0628 18 C 1.0727 -0.9602 0.5035 C.3 1 UNL1111111111 0.0948 19 C -2.2222 -0.1684 2.6270 C.3 1 UNL1111111111 -0.0064 20 C 2.8508 0.7825 -0.2657 C.3 1 UNL1111111111 0.0863 21 C 1.2801 -1.8196 -0.7620 C.3 1 UNL1111111111 -0.0135 22 C 3.3084 2.2225 0.0150 C.3 1 UNL1111111111 -0.0625 23 C 1.4541 -3.2812 -0.3654 C.2 1 UNL1111111111 0.3205 24 H -3.5577 1.7786 -0.8896 H 1 UNL1111111111 0.1430 25 H -1.0960 0.1743 -1.9114 H 1 UNL1111111111 0.1841 26 H -4.1383 -0.2736 0.5150 H 1 UNL1111111111 0.1733 27 H -0.6861 2.6367 -0.0655 H 1 UNL1111111111 0.1352 28 H -2.7843 1.6831 1.5821 H 1 UNL1111111111 0.1456 29 H 1.3490 1.0276 1.3421 H 1 UNL1111111111 0.1489 30 H 0.0131 -1.0582 0.8551 H 1 UNL1111111111 0.1770 31 H -1.4286 -0.9335 2.5447 H 1 UNL1111111111 0.1457 32 H -3.1851 -0.6605 2.8648 H 1 UNL1111111111 0.1581 33 H 2.8552 0.5556 -1.3570 H 1 UNL1111111111 0.1496 34 H 2.1382 -1.4756 -1.3834 H 1 UNL1111111111 0.1634 35 H -3.5410 0.5401 -2.8995 H 1 UNL1111111111 0.3240 36 H -0.7369 2.2458 -2.7832 H 1 UNL1111111111 0.3312 37 H -1.6583 -1.3039 -0.3715 H 1 UNL1111111111 0.3344 38 H 3.2273 2.4946 1.0858 H 1 UNL1111111111 0.1558 39 H 2.7559 2.9589 -0.5923 H 1 UNL1111111111 0.1396 40 H 2.7656 -1.2418 1.4689 H 1 UNL1111111111 0.3463 41 H 4.5719 0.3069 0.6122 H 1 UNL1111111111 0.3584 42 H -1.0804 1.0287 3.7000 H 1 UNL1111111111 0.3194 43 H 2.2745 -3.5374 0.3114 H 1 UNL1111111111 0.1412 44 H -0.2574 -2.5166 -1.8115 H 1 UNL1111111111 0.3499 45 H 4.8969 2.2592 -1.1790 H 1 UNL1111111111 0.3199 @BOND 1 1 15 1 2 1 16 1 3 2 15 1 4 2 17 1 5 3 12 1 6 3 35 1 7 4 13 1 8 4 36 1 9 5 14 1 10 5 37 1 11 6 18 1 12 6 40 1 13 7 19 1 14 7 42 1 15 8 20 1 16 8 41 1 17 9 21 1 18 9 44 1 19 10 22 1 20 10 45 1 21 11 23 2 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 27 1 30 16 19 1 31 16 28 1 32 17 18 1 33 17 20 1 34 17 29 1 35 18 21 1 36 18 30 1 37 19 31 1 38 19 32 1 39 20 22 1 40 20 33 1 41 21 23 1 42 21 34 1 43 22 38 1 44 22 39 1 45 23 43 1