@MOLECULE statine 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.8102 -2.4661 -0.5976 O.3 1 UNL11111111 -0.5554 2 O 3.3894 1.1401 -0.4576 O.3 1 UNL11111111 -0.5601 3 O 2.1663 0.8109 1.3761 O.2 1 UNL11111111 -0.5100 4 N -1.7020 -2.0169 0.4343 N.3 1 UNL11111111 -0.6473 5 C -0.9053 -0.8608 -0.0272 C.3 1 UNL11111111 0.0105 6 C -1.1860 0.3835 0.8348 C.3 1 UNL11111111 -0.3166 7 C -2.2013 1.3609 0.2099 C.3 1 UNL11111111 -0.0489 8 C 0.6173 -1.2016 -0.0042 C.3 1 UNL11111111 0.1053 9 C 1.4687 -0.1593 -0.7475 C.3 1 UNL11111111 -0.4178 10 C -1.6779 1.9565 -1.1035 C.3 1 UNL11111111 -0.4574 11 C -3.5573 0.6844 -0.0061 C.3 1 UNL11111111 -0.4551 12 C 2.3233 0.6145 0.2000 C.2 1 UNL11111111 0.6560 13 H -1.2178 -0.6757 -1.0884 H 1 UNL11111111 0.1480 14 H -1.5606 0.0760 1.8321 H 1 UNL11111111 0.1504 15 H -0.2456 0.9304 1.0479 H 1 UNL11111111 0.1567 16 H -2.3415 2.2023 0.9365 H 1 UNL11111111 0.1281 17 H 0.9789 -1.3762 1.0370 H 1 UNL11111111 0.1675 18 H 0.8382 0.5454 -1.3335 H 1 UNL11111111 0.1900 19 H 2.1095 -0.6711 -1.5057 H 1 UNL11111111 0.2033 20 H -2.3538 2.7366 -1.4729 H 1 UNL11111111 0.1450 21 H -0.6932 2.4153 -0.9703 H 1 UNL11111111 0.1390 22 H -1.6027 1.2017 -1.8923 H 1 UNL11111111 0.1402 23 H -3.9939 0.3567 0.9439 H 1 UNL11111111 0.1452 24 H -4.2713 1.3558 -0.4905 H 1 UNL11111111 0.1357 25 H -3.4654 -0.2159 -0.6287 H 1 UNL11111111 0.1634 26 H -1.7516 -2.0717 1.4390 H 1 UNL11111111 0.2499 27 H -1.3205 -2.8865 0.0871 H 1 UNL11111111 0.2606 28 H 0.4926 -2.4865 -1.5224 H 1 UNL11111111 0.3162 29 H 3.9957 1.6637 0.1230 H 1 UNL11111111 0.3575 @BOND 1 22 10 1 2 28 1 1 3 19 9 1 4 20 10 1 5 18 9 1 6 10 21 1 7 10 7 1 8 13 5 1 9 9 8 1 10 9 12 1 11 25 11 1 12 1 8 1 13 24 11 1 14 2 29 1 15 2 12 1 16 5 8 1 17 5 4 1 18 5 6 1 19 11 7 1 20 11 23 1 21 8 17 1 22 27 4 1 23 12 3 2 24 7 6 1 25 7 16 1 26 4 26 1 27 6 15 1 28 6 14 1