@MOLECULE (2s,3r,4s,5s)-2-methyl-5-(phenylethynyl)-3,4-pyrrolidinediol 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3895 1.1878 0.0986 C.ar 1 UNL111111111 -0.2821 2 C 4.7692 1.2243 -0.0819 C.ar 1 UNL111111111 -0.1651 3 C 5.4832 0.0405 -0.2632 C.ar 1 UNL111111111 -0.1810 4 C 4.8181 -1.1850 -0.2618 C.ar 1 UNL111111111 -0.1732 5 C 3.4390 -1.2318 -0.0809 C.ar 1 UNL111111111 -0.2847 6 C 2.7196 -0.0429 0.0989 C.ar 1 UNL111111111 0.2763 7 C 1.3249 -0.0877 0.2812 C.1 1 UNL111111111 -0.1636 8 C 0.1222 -0.1268 0.4350 C.1 1 UNL111111111 -0.2290 9 C -1.3014 -0.1636 0.6209 C.3 1 UNL111111111 0.2598 10 N -1.8860 -1.4682 0.2023 N.3 1 UNL111111111 -0.8067 11 C -3.1972 -1.2047 -0.4420 C.3 1 UNL111111111 0.1664 12 C -4.3023 -1.4232 0.5945 C.3 1 UNL111111111 -0.9032 13 C -3.1654 0.2652 -0.9651 C.3 1 UNL111111111 -0.0730 14 O -4.3654 0.9531 -0.7706 O.3 1 UNL111111111 -0.4116 15 C -2.0024 0.9597 -0.2040 C.3 1 UNL111111111 -0.2779 16 O -2.5052 1.8607 0.7550 O.3 1 UNL111111111 -0.3996 17 H 2.8275 2.1095 0.2419 H 1 UNL111111111 0.2168 18 H 5.2916 2.1794 -0.0799 H 1 UNL111111111 0.1854 19 H 6.5618 0.0730 -0.4048 H 1 UNL111111111 0.1815 20 H 5.3784 -2.1079 -0.4013 H 1 UNL111111111 0.1868 21 H 2.9162 -2.1868 -0.0758 H 1 UNL111111111 0.2227 22 H -1.5655 -0.0249 1.7152 H 1 UNL111111111 0.2394 23 H -1.2570 -1.9832 -0.4087 H 1 UNL111111111 0.4176 24 H -3.3508 -1.9120 -1.2915 H 1 UNL111111111 0.1403 25 H -4.1651 -0.7804 1.4732 H 1 UNL111111111 0.2855 26 H -5.2938 -1.2389 0.1672 H 1 UNL111111111 0.2378 27 H -4.2781 -2.4569 0.9658 H 1 UNL111111111 0.2853 28 H -3.0371 0.3099 -2.0660 H 1 UNL111111111 0.1947 29 H -4.6021 0.9823 0.1878 H 1 UNL111111111 0.3407 30 H -1.3113 1.5026 -0.8756 H 1 UNL111111111 0.2056 31 H -3.0010 2.5845 0.3108 H 1 UNL111111111 0.3085 @BOND 1 1 6 ar 2 1 2 ar 3 1 17 1 4 2 3 ar 5 2 18 1 6 3 4 ar 7 3 19 1 8 4 20 1 9 5 4 ar 10 5 21 1 11 6 5 ar 12 7 6 1 13 8 7 3 14 9 10 1 15 9 8 1 16 9 22 1 17 10 23 1 18 11 10 1 19 11 24 1 20 12 11 1 21 12 25 1 22 12 26 1 23 12 27 1 24 13 15 1 25 13 11 1 26 13 28 1 27 14 13 1 28 14 29 1 29 15 9 1 30 15 30 1 31 16 15 1 32 16 31 1