REMARK  Name = BDB063396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.563   0.421   0.502  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        0.553   1.040   1.498  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1       -0.822   1.318   0.883  0.00  0.00    +0.105 C 
ATOM      4  N   LIG    1       -1.227   0.168   0.058  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -0.352  -0.054  -1.117  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        1.035   0.565  -0.932  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.591  -0.195  -0.047  0.00  0.00    +0.100 C 
ATOM      8  C   LIG    1       -3.594   0.917  -0.248  0.00  0.00    +0.211 C 
ATOM      9  O   LIG    1       -3.257   2.092  -0.370  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1       -5.021   0.588  -0.312  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -5.457  -0.717  -0.249  0.00  0.00    +0.123 A 
ATOM     12  N   LIG    1       -6.773  -1.065  -0.311  0.00  0.00    -0.251 NA
ATOM     13  C   LIG    1       -7.675  -0.069  -0.441  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -7.328   1.268  -0.514  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.491  -1.826  -0.112  0.00  0.00    +0.225 C 
ATOM     16  O   LIG    1       -4.867  -2.994  -0.096  0.00  0.00    -0.284 OA
ATOM     17  C   LIG    1       -5.978   1.601  -0.449  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -3.053  -1.460   0.008  0.00  0.00    +0.114 C 
ATOM     19 CL   LIG    1       -1.977  -2.801   0.286  0.00  0.00    -0.077 Cl
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.876  -1.040   0.904  0.00  0.00    +0.022 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.946  -1.740   0.064  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     22  C   LIG    1        4.850  -0.373  -0.732  0.00  0.00    +0.289 C 
ATOM     23  N   LIG    1        4.251  -1.140   0.234  0.00  0.00    -0.305 N 
ATOM     24  H   LIG    1        4.750  -1.290   1.100  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        4.372  -0.105  -1.823  0.00  0.00    -0.261 OA
BRANCH  22  28
ATOM     26  C   LIG    1        8.556   1.092   0.276  0.00  0.00    +0.106 C 
ATOM     27  C   LIG    1        7.237   0.568  -0.075  0.00  0.00    -0.096 C 
ATOM     28  C   LIG    1        6.153   0.141  -0.374  0.00  0.00    -0.008 C 
ENDBRANCH  22  28
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5