REMARK  Name = BDB041347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.293   0.191  -1.236  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -5.052  -0.122   0.065  0.00  0.00    -0.245 NA
ATOM      3  C   LIG    1       -3.896   0.352   0.603  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -3.647  -0.024   2.036  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1       -2.775   1.018   2.709  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -1.490   1.269   1.921  0.00  0.00    +0.088 C 
ATOM      7  N   LIG    1       -1.755   1.571   0.492  0.00  0.00    -0.323 N 
ATOM      8  C   LIG    1       -0.549   1.547  -0.375  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.762   1.520   0.446  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.863   0.434   1.451  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -0.469   0.102   2.021  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.937   1.106  -0.100  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.256   1.409  -1.431  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -4.437   0.950  -2.013  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -8.646  -1.551  -1.268  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -7.327  -1.083  -0.944  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.983  -1.123   0.013  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -6.575  -0.325  -1.818  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1       -6.906  -0.072  -2.970  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1        1.501  -0.779   0.915  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.984  -0.616   0.675  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.551  -0.991  -0.545  0.00  0.00    +0.153 A 
ATOM     23  F   LIG    1        2.771  -1.476  -1.524  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.923  -0.865  -0.770  0.00  0.00    +0.104 A 
ATOM     25  C   LIG    1        5.766  -0.365   0.230  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1        7.153  -0.222   0.046  0.00  0.00    -0.245 NA
ATOM     27  C   LIG    1        7.657  -0.573  -1.102  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1        6.817  -1.130  -2.251  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1        7.337  -1.445  -3.310  0.00  0.00    -0.266 OA
ATOM     30  C   LIG    1        9.130  -0.442  -1.354  0.00  0.00    +0.071 C 
ATOM     31  C   LIG    1        5.207   0.004   1.455  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        5.474  -1.241  -2.001  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1        4.880  -1.607  -2.735  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1        3.832  -0.123   1.680  0.00  0.00    +0.010 A 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3