REMARK  Name = BDB025136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.584  -2.366  -1.672  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.054  -1.081  -1.463  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.971   0.056  -1.690  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.263   0.250  -3.187  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.486   1.402  -1.125  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.778   1.203   0.198  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.600   0.307  -0.058  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.337   0.542   0.522  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.947   1.551   1.360  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -0.334   1.357   1.620  0.00  0.00    +0.133 A 
ATOM     11  N   LIG    1       -0.793   0.219   0.980  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.273  -0.307   0.260  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.400  -1.412  -0.587  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.662  -1.649  -1.148  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.765  -0.826  -0.886  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.690  -2.571  -2.169  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.127  -0.380   0.955  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -3.011   0.207  -0.159  0.00  0.00    +0.026 C 
ATOM     19  C   LIG    1       -4.515   0.067   0.112  0.00  0.00    +0.017 C 
ATOM     20  C   LIG    1       -4.884  -1.221   0.852  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -4.096  -1.403   2.164  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -2.875  -0.480   2.287  0.00  0.00    +0.026 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.703  -2.412  -0.081  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.660  -3.036  -0.209  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.807  -2.700  -0.804  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -6.569  -2.114  -0.640  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        4.366  -4.685  -1.368  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        3.802  -3.384  -1.212  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.109   2.278   2.499  0.00  0.00    +0.217 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -1.925   3.199   1.722  0.00  0.00    -0.263 N 
ATOM     31  N   LIG    1       -3.277   3.131   1.781  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -3.673   4.152   1.010  0.00  0.00    +0.154 A 
ATOM     33  C   LIG    1       -2.591   4.869   0.471  0.00  0.00    +0.078 A 
ATOM     34 CL   LIG    1       -2.680   6.214  -0.549  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -1.473   4.237   0.953  0.00  0.00    +0.128 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6