@MOLECULE 2s-hydroxytetradecanoate 17 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.6807 -1.2574 -0.0647 C.1 1 UNL1 0.6512 2 C 4.7894 1.3391 0.0396 C.1 1 UNL1 0.6505 3 C 3.5401 1.0302 0.0220 C.1 1 UNL1 -0.6688 4 C 2.3029 0.7439 0.0041 C.1 1 UNL1 0.6098 5 C 1.0478 0.4822 -0.0054 C.1 1 UNL1 -0.5872 6 C -0.2066 0.2647 -0.0080 C.1 1 UNL1 0.5690 7 C -1.4744 0.0793 -0.0070 C.1 1 UNL1 -0.5690 8 C -2.7409 -0.0578 -0.0028 C.1 1 UNL1 0.5653 9 C -4.0174 -0.1626 0.0024 C.1 1 UNL1 -0.5607 10 C -5.2902 -0.2248 0.0070 C.1 1 UNL1 0.5744 11 C -6.5700 -0.2609 0.0123 C.1 1 UNL1 -0.6096 12 C -7.8455 -0.2703 0.0182 C.1 1 UNL1 0.6127 13 C -9.1276 -0.2674 0.0247 C.1 1 UNL1 -0.7972 14 C -10.4116 -0.2557 0.0309 C.3 1 UNL1 0.4598 15 O 8.4749 -1.4821 0.7603 O.2 1 UNL1 -0.3154 16 O 6.8784 -1.0345 -0.8851 O.2 1 UNL1 -0.3357 17 O 5.9094 1.6288 0.0697 O.3 1 UNL1 -0.2492 @BOND 1 16 1 2 2 1 15 2 3 6 7 3 4 6 5 1 5 7 8 1 6 5 4 3 7 8 9 3 8 9 10 1 9 4 3 1 10 10 11 3 11 11 12 1 12 12 13 3 13 3 2 3 14 13 14 1 15 2 17 1