@MOLECULE {4-[(6-deoxy-alpha-l-mannopyranosyl)oxy]phenyl}acetonitrile 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2117 -0.3439 1.2039 O.3 1 UNL111111111 -0.4147 2 O -0.4049 1.2100 -0.3185 O.3 1 UNL111111111 -0.4247 3 O -4.5111 0.4816 -1.0869 O.3 1 UNL111111111 -0.5694 4 O -3.3378 -2.0907 -1.1902 O.3 1 UNL111111111 -0.5636 5 O -3.5430 1.4726 1.2040 O.3 1 UNL111111111 -0.5395 6 N 5.6452 -2.0833 -0.4048 N.1 1 UNL111111111 -0.2608 7 C -3.1456 0.2026 -0.8446 C.3 1 UNL111111111 0.0773 8 C -3.0014 -1.1724 -0.1691 C.3 1 UNL111111111 0.0406 9 C -2.6753 1.3200 0.1030 C.3 1 UNL111111111 0.0624 10 C -1.5348 -1.3694 0.2670 C.3 1 UNL111111111 0.0899 11 C -1.3151 0.9617 0.7500 C.3 1 UNL111111111 0.2932 12 C -1.3231 -2.6572 1.0481 C.3 1 UNL111111111 -0.4689 13 C 0.9240 1.0093 -0.1177 C.ar 1 UNL111111111 0.2845 14 C 1.6899 1.2757 -1.2634 C.ar 1 UNL111111111 -0.2370 15 C 1.5072 0.5874 1.0765 C.ar 1 UNL111111111 -0.2698 16 C 3.6654 0.6651 -0.0148 C.ar 1 UNL111111111 -0.0770 17 C 3.0639 1.0978 -1.2010 C.ar 1 UNL111111111 -0.1013 18 C 2.8884 0.4173 1.1166 C.ar 1 UNL111111111 -0.0946 19 C 5.1503 0.4353 0.0314 C.3 1 UNL111111111 -0.2578 20 C 5.4324 -0.9632 -0.2104 C.1 1 UNL111111111 0.1223 21 H -2.6059 0.2330 -1.8195 H 1 UNL111111111 0.1553 22 H -3.7094 -1.2868 0.6790 H 1 UNL111111111 0.1488 23 H -2.6251 2.2999 -0.4270 H 1 UNL111111111 0.1584 24 H -0.8430 -1.2943 -0.6023 H 1 UNL111111111 0.1479 25 H -1.0731 1.5710 1.6480 H 1 UNL111111111 0.1628 26 H -1.9916 -2.7221 1.9161 H 1 UNL111111111 0.1620 27 H -1.4713 -3.5409 0.4200 H 1 UNL111111111 0.1522 28 H -0.2953 -2.7035 1.4435 H 1 UNL111111111 0.1723 29 H -4.9258 -0.2864 -1.5411 H 1 UNL111111111 0.3449 30 H -3.2952 -3.0102 -0.8599 H 1 UNL111111111 0.3260 31 H -4.4754 1.3599 0.8979 H 1 UNL111111111 0.3452 32 H 1.2006 1.6104 -2.1749 H 1 UNL111111111 0.1760 33 H 0.9057 0.3715 1.9568 H 1 UNL111111111 0.1820 34 H 3.6736 1.2889 -2.0838 H 1 UNL111111111 0.1545 35 H 3.3592 0.0771 2.0393 H 1 UNL111111111 0.1554 36 H 5.5688 0.7558 1.0184 H 1 UNL111111111 0.1830 37 H 5.6783 1.0763 -0.7182 H 1 UNL111111111 0.1822 @BOND 1 1 10 1 2 1 11 1 3 2 11 1 4 2 13 1 5 3 7 1 6 3 29 1 7 4 8 1 8 4 30 1 9 5 9 1 10 5 31 1 11 6 20 3 12 7 8 1 13 7 9 1 14 7 21 1 15 8 10 1 16 8 22 1 17 9 11 1 18 9 23 1 19 10 12 1 20 10 24 1 21 11 25 1 22 12 26 1 23 12 27 1 24 12 28 1 25 13 14 ar 26 13 15 ar 27 14 17 ar 28 14 32 1 29 15 18 ar 30 15 33 1 31 16 17 ar 32 16 18 ar 33 16 19 1 34 17 34 1 35 18 35 1 36 19 20 1 37 19 36 1 38 19 37 1