@MOLECULE 3-selenino-l-alanine 9 6 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3109 1.2652 -0.2280 C.3 1 UNL1 -0.2025 2 O 2.5154 -0.5703 1.2642 O.2 2 UNL2 -0.3379 3 SE -1.4770 -0.2004 -0.2359 Se 3 UNL3 1.4423 4 C 2.7979 -0.9137 0.1822 C.1 2 UNL2 0.6675 5 O 3.1230 -1.2337 -0.8914 O.2 2 UNL2 -0.3298 6 C 0.6570 2.1518 -0.1535 C.1 1 UNL1 0.0600 7 N 1.5201 2.9683 -0.0846 N.1 1 UNL1 -0.2108 8 O -1.6795 -0.3197 1.5143 O.3 3 UNL3 -0.3530 9 O -0.3608 -1.3652 -0.4991 O.3 3 UNL3 -0.7358 @BOND 1 5 4 2 2 9 3 1 3 3 8 1 4 1 6 1 5 6 7 3 6 4 2 2