TITLE
R-Alanine
CELL
1 1 1 90 90 90
COORD
 6   0.3833785718   -0.0844026102   0.7197150221   
 6   0.0048594823   0.2227339742   -0.7263798948   
 1   1.1198386765   0.5409071606   0.9778122995   
 6   -0.7850085467   0.2908069126   1.5823211635   
 8   0.0096766869   -0.5713349877   -1.6432107068   
 7   0.7790021728   -1.4514559252   0.9930645141   
 1   0.1620390285   -1.8732538977   1.6817799598   
 1   1.7283970969   -1.4854641763   1.3541444679   
 8   -0.3496159413   1.5225371349   -0.8826057484   
 1   -0.5777076651   1.6527126113   -1.8189896501   
 1   -1.0524510976   -0.4942366739   2.1410528068   
 1   -0.5286522395   1.0520795363   2.1779262644   
 1   -1.5526693964   0.5646604337   1.0029240037   
-1 0 0 0
BARICE
-1.32645646118371E-11    6.81789667982164E-12    -1.87173052453955E-11
CONNB
 12 
 1 2 1 3 1 4 1 6 2 5 2 9 4 11 4 12 4 13 6 7 6 8 9 10
BONDS
 4 3 1 4 1 3 1 1 2 1 1 1 1
FRAG
 1 
 1 1 1 1 1 1 1 1 1 1 1 1 1