REMARK  Name = BDB039510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.689   0.971  -0.549  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.818   1.512  -1.490  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.051   1.833  -2.639  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.512   1.652  -0.838  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.659   1.302   0.499  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.572   1.351   1.357  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.323   1.747   0.844  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.206   2.115  -0.516  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.309   2.067  -1.374  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.079   0.949   0.781  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.035  -3.111  -0.384  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        6.866  -1.908  -0.564  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.217  -0.998   0.401  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        7.622  -1.387   1.241  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.881   0.334   0.459  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.055   0.968   1.499  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.141   0.915  -0.756  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.548   0.111  -1.998  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.213  -1.360  -1.808  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -0.815   1.806   1.746  0.00  0.00    +0.096 A 
ATOM     21  C   LIG    1       -2.116   1.419   1.483  0.00  0.00    +0.074 A 
ATOM     22  N   LIG    1       -2.811   1.677   2.656  0.00  0.00    -0.305 N 
ATOM     23  C   LIG    1       -4.174   1.448   2.808  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1       -4.871   0.933   1.781  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.176   0.606   0.532  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.901   2.168   3.557  0.00  0.00    +0.204 A 
ATOM     27  C   LIG    1       -2.852   0.853   0.401  0.00  0.00    +0.033 A 
ATOM     28  N   LIG    1       -0.692   2.246   3.048  0.00  0.00    -0.235 NA
BRANCH  25  29
ATOM     29  C   LIG    1       -4.996   0.030  -0.604  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -4.959  -1.432  -0.660  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -5.664  -2.089   0.442  0.00  0.00    +0.085 C 
ATOM     32  C   LIG    1       -5.841  -3.518  -0.054  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -5.752  -3.430  -1.573  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.598  -1.948  -1.873  0.00  0.00    +0.085 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH   7  20
TORSDOF 4