REMARK  Name = BDB011515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.088  -0.387  -0.302  0.00  0.00    +0.197 C 
ATOM      2  C   LIG    1        0.097   0.711  -0.659  0.00  0.00    +0.244 C 
ATOM      3  O   LIG    1        0.531   1.828  -0.978  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.266   0.419  -0.635  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1       -1.813  -0.912  -0.501  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -1.262  -1.955   0.270  0.00  0.00    +0.142 A 
ATOM      7  C   LIG    1       -1.901  -3.211   0.322  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.072  -3.469  -0.379  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -3.620  -2.467  -1.156  0.00  0.00    +0.002 A 
ATOM     10  O   LIG    1       -0.150  -1.972   1.061  0.00  0.00    -0.488 OA
ATOM     11  C   LIG    1       -2.996  -1.216  -1.215  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        0.711  -0.848   1.093  0.00  0.00    +0.261 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.566  -0.579  -0.386  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.430   0.201  -0.357  0.00  0.00    -0.300 N 
ATOM     15  H   LIG    1        2.475   1.186  -0.608  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        3.512  -1.800  -0.276  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.868   0.238  -0.576  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.026   0.568  -2.059  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        6.075  -0.657   1.340  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.066  -0.486  -0.107  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.902   0.024  -0.387  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.167   1.556  -0.917  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.272   1.771   0.101  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1       -3.019   2.122   1.438  0.00  0.00    +0.046 A 
ATOM     25 CL   LIG    1       -1.421   2.385   2.037  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -4.074   2.308   2.339  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.394   2.164   1.919  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.665   1.845   0.593  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.615   1.658  -0.309  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5