REMARK  Name = BDB041301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.966   0.716   0.024  0.00  0.00    +0.005 C 
ATOM      2  C   LIG    1        2.168  -0.046   1.070  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1        0.751   0.417   1.144  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1        0.090   0.325   2.305  0.00  0.00    +0.142 C 
ATOM      5  N   LIG    1        0.621  -0.267   3.422  0.00  0.00    -0.162 NA
ATOM      6  N   LIG    1        1.853  -0.496   3.501  0.00  0.00    -0.187 NA
ATOM      7  C   LIG    1        0.178   1.089  -0.050  0.00  0.00    +0.124 C 
ATOM      8  N   LIG    1        0.940   1.580  -0.990  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1        2.753   0.097   2.483  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        2.301   1.460  -0.881  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.580  -1.727  -0.755  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1        5.093  -0.420  -0.407  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        4.389   0.717  -0.080  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.340   1.705   0.087  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        6.577   1.065  -0.120  0.00  0.00    +0.162 A 
ATOM     16  N   LIG    1        6.431  -0.234  -0.405  0.00  0.00    -0.160 NA
BRANCH  15  17
ATOM     17  C   LIG    1        7.886   1.646  -0.048  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        8.931   2.151   0.021  0.00  0.00    -0.189 NA
ENDBRANCH  15  17
ENDBRANCH   1  13
BRANCH   7  19
ATOM     19  N   LIG    1       -1.177   1.261  -0.234  0.00  0.00    -0.328 N 
ATOM     20  H   LIG    1       -1.297   1.837  -1.075  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.058   0.095  -0.347  0.00  0.00    +0.114 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.537   0.531  -0.333  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -3.948   1.177  -1.695  0.00  0.00    +0.198 C 
ATOM     24  F   LIG    1       -2.875   1.816  -2.242  0.00  0.00    -0.240 F 
ATOM     25  C   LIG    1       -4.539   0.220  -2.706  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -5.093  -0.948  -2.339  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -5.113  -1.300  -0.952  0.00  0.00    +0.120 C 
ATOM     28  O   LIG    1       -5.824  -2.402  -0.529  0.00  0.00    -0.492 OA
ATOM     29  C   LIG    1       -5.709  -2.328   0.912  0.00  0.00    +0.233 C 
ATOM     30  C   LIG    1       -4.612  -1.318   1.274  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1       -4.415  -0.650  -0.027  0.00  0.00    -0.017 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 5