REMARK  Name = BDB019652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.310   1.288   0.629  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1       -0.709   0.435   0.894  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -0.539  -0.872   0.549  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.604  -1.375  -0.052  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        1.647  -0.491  -0.330  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.494   0.856   0.027  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        0.786   6.233  -0.137  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.301   5.074   0.683  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -0.370   5.358   1.820  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -0.817   4.317   2.550  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -0.621   2.992   2.200  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.083   2.689   1.028  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        0.544   3.768   0.260  0.00  0.00    +0.033 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1       -1.694  -1.783   0.840  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1       -2.772  -1.154   1.423  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -2.708  -0.143   1.498  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -1.661  -2.974   0.555  0.00  0.00    -0.269 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -4.039  -1.809   1.624  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.974  -1.525   0.476  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1       -4.905  -2.293  -0.698  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -5.746  -2.020  -1.781  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1       -5.597  -3.013  -3.187  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -6.665  -0.969  -1.700  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1       -7.737  -0.570  -2.996  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1       -6.734  -0.194  -0.538  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1       -5.891  -0.468   0.542  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1        2.926  -0.988  -0.953  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.779  -1.534   0.082  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        3.826  -0.938   0.904  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.014  -2.002  -0.193  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1        5.169  -2.772  -1.299  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1        4.413  -3.434  -1.430  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        6.485  -3.373  -1.207  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        7.154  -2.489  -0.150  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1        6.052  -1.780   0.558  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7