REMARK  Name = BDB061914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.226  -0.250  -0.822  0.00  0.00    +0.118 C 
ATOM      2  C   LIG    1       -1.085   0.659   0.002  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.332   0.270   0.440  0.00  0.00    +0.111 A 
ATOM      4  O   LIG    1       -2.962   1.245   1.130  0.00  0.00    -0.467 OA
ATOM      5  C   LIG    1       -2.102   2.302   1.137  0.00  0.00    +0.195 A 
ATOM      6  C   LIG    1       -2.962  -1.049   0.230  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1       -2.145  -1.791  -0.856  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1       -0.944   1.999   0.452  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -0.685  -1.653  -0.676  0.00  0.00    -0.305 NA
ATOM     10  H   LIG    1       -0.192  -2.216  -1.365  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.855   0.277   0.527  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.448   0.792  -0.702  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        2.131   0.618  -1.133  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        1.201  -0.076  -0.339  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        1.631  -0.588   0.898  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.947  -0.413   1.327  0.00  0.00    +0.000 A 
ENDBRANCH   1  14
TORSDOF 1