REMARK  Name = BDB013381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843   0.083   0.594  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1        0.073  -1.086   0.468  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.310  -1.020   0.250  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.982   0.205   0.150  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.447   0.206  -0.073  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.185   1.524  -0.130  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.709   1.390  -0.064  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.197   0.247  -0.940  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.572  -1.076  -0.499  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.097  -0.969  -0.218  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.371  -2.270  -0.111  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -3.946  -3.348  -0.223  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.218   1.371   0.256  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.027  -2.212   0.121  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.564  -3.107   0.192  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.166   1.312   0.470  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.885  -1.320   1.298  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.377   0.056   0.807  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.769   1.053   1.841  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        3.092   1.849   2.622  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.036   0.430  -0.561  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.547   0.357  -0.642  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        5.351   1.415  -0.205  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        6.729   1.286  -0.308  0.00  0.00    +0.131 A 
ATOM     25 CL   LIG    1        7.767   2.550   0.209  0.00  0.00    -0.062 Cl
ATOM     26  N   LIG    1        7.363   0.210  -0.806  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1        6.568  -0.788  -1.226  0.00  0.00    +0.131 A 
ATOM     28 CL   LIG    1        7.400  -2.148  -1.860  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        5.181  -0.772  -1.172  0.00  0.00    +0.044 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4