REMARK  Name = BDB036921
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.592   0.449  -0.747  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.486   0.060   0.127  0.00  0.00    -0.152 NA
ATOM      3  N   LIG    1       -3.817   0.377  -0.055  0.00  0.00    -0.216 N 
ATOM      4  C   LIG    1       -4.302   1.002  -1.190  0.00  0.00    +0.268 A 
ATOM      5  O   LIG    1       -5.487   1.217  -1.424  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1       -3.294   1.443  -2.166  0.00  0.00    +0.075 A 
ATOM      7  C   LIG    1       -2.001   1.192  -1.969  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -4.729  -0.167   0.958  0.00  0.00    +0.197 C 
ATOM      9  C   LIG    1       -5.740   0.877   1.438  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -5.412   1.949   1.946  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -7.070   0.582   1.248  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -7.718   1.296   1.550  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -7.606  -0.366   0.414  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -8.811  -0.385   0.176  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -6.649  -1.344  -0.223  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -5.373  -1.500   0.583  0.00  0.00    +0.045 C 
ENDBRANCH   3   8
BRANCH   1  21
ATOM     17  C   LIG    1        3.834  -0.788   0.493  0.00  0.00    +0.403 C 
ATOM     18  N   LIG    1        2.537  -0.459   0.160  0.00  0.00    -0.264 N 
ATOM     19  C   LIG    1        1.476  -1.444   0.340  0.00  0.00    +0.130 C 
ATOM     20  C   LIG    1        0.103  -0.797   0.572  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1       -0.256   0.136  -0.516  0.00  0.00    -0.311 N 
ATOM     22  C   LIG    1        0.863   0.827  -1.177  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        2.135   0.864  -0.314  0.00  0.00    +0.130 C 
ATOM     24  O   LIG    1        4.168  -1.900   0.880  0.00  0.00    -0.226 OA
BRANCH  17  25
ATOM     25  O   LIG    1        4.678   0.265   0.344  0.00  0.00    -0.445 OA
BRANCH  25  27
ATOM     26  C   LIG    1        6.772  -0.880  -0.270  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.091   0.140   0.649  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        6.675   1.531   0.353  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.317  -0.179   2.131  0.00  0.00    +0.055 C 
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 4