@MOLECULE n-(6-aminohexanoyl)-beta-d-galactopyranosylamine 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2379 -1.0429 0.1451 O.3 1 UNL1111111111 -0.4714 2 O 3.9740 2.6693 0.1974 O.3 1 UNL1111111111 -0.5019 3 O 4.3825 0.2573 1.4014 O.3 1 UNL1111111111 -0.5372 4 O 1.1999 2.4064 -0.4998 O.3 1 UNL1111111111 -0.5300 5 O 3.6469 -3.3864 -0.6069 O.3 1 UNL1111111111 -0.5335 6 O -1.1060 0.6050 -1.1920 O.2 1 UNL1111111111 -0.5469 7 N 0.1274 -0.3247 0.4381 N.am 1 UNL1111111111 -0.6447 8 N -8.5385 0.0404 -0.2680 N.3 1 UNL1111111111 -0.6475 9 C 3.3772 1.5345 -0.3663 C.3 1 UNL1111111111 0.0689 10 C 4.2185 0.2891 0.0016 C.3 1 UNL1111111111 0.0316 11 C 1.9221 1.3796 0.1335 C.3 1 UNL1111111111 0.0305 12 C 3.5164 -0.9865 -0.4806 C.3 1 UNL1111111111 0.0145 13 C 1.3590 -0.0110 -0.2802 C.3 1 UNL1111111111 0.2470 14 C 4.2108 -2.2594 0.0250 C.3 1 UNL1111111111 -0.0121 15 C -1.0940 -0.0289 -0.1548 C.2 1 UNL1111111111 0.6056 16 C -2.3240 -0.5015 0.5716 C.3 1 UNL1111111111 -0.3584 17 C -3.5736 0.0250 -0.1446 C.3 1 UNL1111111111 -0.2448 18 C -4.8472 -0.4466 0.5634 C.3 1 UNL1111111111 -0.2759 19 C -6.0845 0.0724 -0.1750 C.3 1 UNL1111111111 -0.2804 20 C -7.3701 -0.3905 0.5332 C.3 1 UNL1111111111 -0.1047 21 H 3.3945 1.7594 -1.4581 H 1 UNL1111111111 0.1695 22 H 5.2618 0.3826 -0.3747 H 1 UNL1111111111 0.1693 23 H 1.8463 1.5573 1.2279 H 1 UNL1111111111 0.1458 24 H 3.3932 -1.0126 -1.5859 H 1 UNL1111111111 0.1521 25 H 1.2032 -0.0722 -1.3909 H 1 UNL1111111111 0.1611 26 H 4.1248 -2.3695 1.1217 H 1 UNL1111111111 0.1374 27 H 5.2765 -2.2937 -0.2691 H 1 UNL1111111111 0.1557 28 H 0.2116 -0.8736 1.2788 H 1 UNL1111111111 0.3240 29 H 4.1940 2.5045 1.1455 H 1 UNL1111111111 0.3216 30 H 3.5502 -0.0451 1.8313 H 1 UNL1111111111 0.3243 31 H 0.3352 2.0818 -0.8481 H 1 UNL1111111111 0.3406 32 H -2.3449 -1.6106 0.6103 H 1 UNL1111111111 0.1703 33 H -2.3147 -0.1540 1.6252 H 1 UNL1111111111 0.1698 34 H -3.5454 1.1327 -0.1969 H 1 UNL1111111111 0.1562 35 H -3.5706 -0.3101 -1.2034 H 1 UNL1111111111 0.1594 36 H -4.8534 -0.0957 1.6124 H 1 UNL1111111111 0.1352 37 H -4.8711 -1.5520 0.6098 H 1 UNL1111111111 0.1376 38 H 2.6767 -3.3955 -0.4571 H 1 UNL1111111111 0.3225 39 H -6.0957 -0.2944 -1.2225 H 1 UNL1111111111 0.1610 40 H -6.0617 1.1759 -0.2441 H 1 UNL1111111111 0.1405 41 H -7.3929 -1.5009 0.5929 H 1 UNL1111111111 0.1392 42 H -7.3947 -0.0072 1.5757 H 1 UNL1111111111 0.1048 43 H -9.4048 -0.2685 0.1384 H 1 UNL1111111111 0.2466 44 H -8.5689 1.0397 -0.3808 H 1 UNL1111111111 0.2467 @BOND 1 1 12 1 2 1 13 1 3 2 9 1 4 2 29 1 5 3 10 1 6 3 30 1 7 4 11 1 8 4 31 1 9 5 14 1 10 5 38 1 11 6 15 2 12 7 13 1 13 7 15 am 14 7 28 1 15 8 20 1 16 8 43 1 17 8 44 1 18 9 10 1 19 9 11 1 20 9 21 1 21 10 12 1 22 10 22 1 23 11 13 1 24 11 23 1 25 12 14 1 26 12 24 1 27 13 25 1 28 14 26 1 29 14 27 1 30 15 16 1 31 16 17 1 32 16 32 1 33 16 33 1 34 17 18 1 35 17 34 1 36 17 35 1 37 18 19 1 38 18 36 1 39 18 37 1 40 19 20 1 41 19 39 1 42 19 40 1 43 20 41 1 44 20 42 1