REMARK  Name = BDB014334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.262   0.467  -1.883  0.00  0.00    -0.343 N 
ATOM      2  C   LIG    1        1.367   0.642  -1.068  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1        1.971   1.830  -1.484  0.00  0.00    +0.093 A 
ATOM      4  N   LIG    1        3.069   2.358  -0.905  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        3.523   1.627   0.128  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        3.024   0.475   0.603  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1        1.246   2.343  -2.580  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.935  -0.055   0.002  0.00  0.00    +0.099 A 
ATOM      9  C   LIG    1        0.203   1.480  -2.814  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        4.717   2.177   0.811  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        5.260   3.321   0.363  0.00  0.00    -0.269 N 
ATOM     12  H   LIG    1        4.946   3.880  -0.413  0.00  0.00    +0.174 HD
ATOM     13  C   LIG    1        6.309   3.589   1.149  0.00  0.00    +0.440 A 
ATOM     14  O   LIG    1        7.052   4.553   1.049  0.00  0.00    -0.221 OA
ATOM     15  O   LIG    1        6.412   2.596   2.091  0.00  0.00    -0.295 OA
ATOM     16  N   LIG    1        5.339   1.682   1.832  0.00  0.00    -0.051 NA
ENDBRANCH   5  10
BRANCH   8  17
ATOM     17  C   LIG    1        1.468  -1.322   0.548  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.702  -2.531  -0.126  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        1.255  -3.738   0.412  0.00  0.00    +0.042 A 
ATOM     20 CL   LIG    1        1.523  -5.204  -0.447  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        0.587  -3.766   1.634  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.373  -2.578   2.330  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        0.817  -1.367   1.793  0.00  0.00    +0.010 A 
ENDBRANCH   8  17
BRANCH   1  24
ATOM     24  C   LIG    1       -0.732  -0.598  -1.825  0.00  0.00    +0.125 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -3.587   0.603   2.023  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.188  -0.182   0.853  0.00  0.00    -0.014 C 
ATOM     27  C   LIG    1       -3.528  -1.565   0.700  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -2.589  -1.683  -0.504  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -1.780  -0.401  -0.717  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1       -2.712   0.793  -1.005  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -4.129   0.619  -0.451  0.00  0.00    +0.003 C 
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 4