@MOLECULE n-(4-methylphenyl)-beta-d-mannopyranosylamine 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5562 0.2888 -0.3685 O.3 1 UNL1111111111 -0.4710 2 O 3.9925 -1.7641 0.3791 O.3 1 UNL1111111111 -0.5447 3 O 3.9038 1.1583 0.5746 O.3 1 UNL1111111111 -0.5680 4 O 1.6765 -2.1432 -1.0682 O.3 1 UNL1111111111 -0.5431 5 O 2.3675 3.3661 -0.4235 O.3 1 UNL1111111111 -0.5377 6 N -0.8506 -1.4929 0.0130 N.pl3 1 UNL1111111111 -0.5301 7 C 2.8491 -1.0087 0.6885 C.3 1 UNL1111111111 0.0398 8 C 2.9437 0.3386 -0.0602 C.3 1 UNL1111111111 0.0480 9 C 1.5728 -1.7702 0.2863 C.3 1 UNL1111111111 0.0291 10 C 1.6178 1.1250 0.0467 C.3 1 UNL1111111111 0.0370 11 C 0.3461 -0.8419 0.4874 C.3 1 UNL1111111111 0.2284 12 C 1.5754 2.3173 -0.9266 C.3 1 UNL1111111111 -0.0132 13 C -2.0734 -0.7798 0.0295 C.ar 1 UNL1111111111 0.2072 14 C -3.1891 -1.4062 -0.5553 C.ar 1 UNL1111111111 -0.2458 15 C -2.2222 0.4636 0.6585 C.ar 1 UNL1111111111 -0.2322 16 C -4.4338 -0.7949 -0.4913 C.ar 1 UNL1111111111 -0.1234 17 C -3.4769 1.0617 0.7142 C.ar 1 UNL1111111111 -0.1291 18 C -4.5889 0.4401 0.1452 C.ar 1 UNL1111111111 -0.0186 19 C -5.9277 1.0946 0.1928 C.3 1 UNL1111111111 -0.4442 20 H 2.9254 -0.8626 1.7908 H 1 UNL1111111111 0.1650 21 H 3.2604 0.1886 -1.1149 H 1 UNL1111111111 0.1363 22 H 1.4724 -2.7421 0.8177 H 1 UNL1111111111 0.1754 23 H 1.4511 1.4755 1.0910 H 1 UNL1111111111 0.1527 24 H 0.2301 -0.4974 1.5433 H 1 UNL1111111111 0.1478 25 H 0.5580 2.7520 -0.9895 H 1 UNL1111111111 0.1589 26 H 1.9200 2.0482 -1.9393 H 1 UNL1111111111 0.1236 27 H -0.7046 -2.0815 -0.8083 H 1 UNL1111111111 0.3069 28 H 3.8543 -2.2744 -0.4544 H 1 UNL1111111111 0.3383 29 H 4.7473 0.6614 0.6797 H 1 UNL1111111111 0.3442 30 H 1.5351 -1.3556 -1.6481 H 1 UNL1111111111 0.3334 31 H 3.2450 3.0202 -0.1368 H 1 UNL1111111111 0.3348 32 H -3.0802 -2.3701 -1.0457 H 1 UNL1111111111 0.1590 33 H -1.3655 0.9795 1.0837 H 1 UNL1111111111 0.1649 34 H -5.2968 -1.2825 -0.9429 H 1 UNL1111111111 0.1524 35 H -3.5861 2.0304 1.2008 H 1 UNL1111111111 0.1520 36 H -6.1241 1.6481 -0.7385 H 1 UNL1111111111 0.1592 37 H -6.7402 0.3654 0.3154 H 1 UNL1111111111 0.1539 38 H -6.0150 1.8108 1.0208 H 1 UNL1111111111 0.1530 @BOND 1 1 10 1 2 1 11 1 3 2 7 1 4 2 28 1 5 3 8 1 6 3 29 1 7 4 9 1 8 4 30 1 9 5 12 1 10 5 31 1 11 6 11 1 12 6 13 1 13 6 27 1 14 7 8 1 15 7 9 1 16 7 20 1 17 8 10 1 18 8 21 1 19 9 11 1 20 9 22 1 21 10 12 1 22 10 23 1 23 11 24 1 24 12 25 1 25 12 26 1 26 13 14 ar 27 13 15 ar 28 14 16 ar 29 14 32 1 30 15 17 ar 31 15 33 1 32 16 18 ar 33 16 34 1 34 17 18 ar 35 17 35 1 36 18 19 1 37 19 36 1 38 19 37 1 39 19 38 1