@MOLECULE medronic acid 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 P -1.7152 0.0145 0.1250 P.3 1 UNL11111111 0.3113 2 P 1.6322 -0.1049 -0.0006 P.3 1 UNL11111111 0.3098 3 O -1.6643 -1.4620 -0.4799 O.3 1 UNL11111111 -0.3601 4 O -1.7048 0.9826 -1.1467 O.3 1 UNL11111111 -0.3700 5 O 1.7411 1.1270 -1.0163 O.3 1 UNL11111111 -0.3790 6 O 2.4875 0.4022 1.2683 O.3 1 UNL11111111 -0.4557 7 O -2.8256 0.2535 1.0459 O.2 1 UNL11111111 -0.3996 8 O 2.0892 -1.3859 -0.5269 O.2 1 UNL11111111 -0.3372 9 C -0.0058 0.2290 0.7980 C.3 1 UNL11111111 -0.0354 10 H 0.0403 1.3483 1.1158 H 1 UNL11111111 0.2315 11 H 0.0081 -0.4187 1.7650 H 1 UNL11111111 0.2280 12 H -2.6127 -1.8003 -0.6359 H 1 UNL11111111 0.3077 13 H -2.6629 1.1799 -1.4303 H 1 UNL11111111 0.3094 14 H 2.4331 0.9148 -1.7323 H 1 UNL11111111 0.3152 15 H 3.4575 0.1362 1.1678 H 1 UNL11111111 0.3241 @BOND 1 14 5 1 2 13 4 1 3 4 1 1 4 5 2 1 5 12 3 1 6 8 2 2 7 3 1 1 8 2 9 1 9 2 6 1 10 1 9 1 11 1 7 2 12 9 10 1 13 9 11 1 14 15 6 1