REMARK  Name = BDB054662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.344   0.467  -0.216  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.373   1.417   0.059  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.567   0.815   0.166  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.342  -0.500  -0.037  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -2.009  -0.747  -0.264  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.283   2.869   0.243  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.256   3.447   1.002  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.196   4.833   1.177  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -2.169   5.648   0.603  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -2.096   7.353   0.823  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -3.204   5.090  -0.143  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.261   3.704  -0.319  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -4.415  -1.437  -0.001  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -5.716  -0.982   0.263  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -6.784  -1.882   0.305  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -6.562  -3.239   0.083  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.273  -3.699  -0.181  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.199  -2.804  -0.224  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  21
ATOM     19  N   LIG    1        0.875  -0.386  -0.126  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        0.413  -1.169   0.314  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        0.079   0.697  -0.457  0.00  0.00    +0.252 C 
ATOM     22  O   LIG    1        0.480   1.768  -0.892  0.00  0.00    -0.270 OA
BRANCH  19  26
ATOM     23  C   LIG    1        5.060  -0.903  -0.461  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.471   0.267  -0.939  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.089   0.470  -0.843  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        2.274  -0.501  -0.263  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        2.868  -1.677   0.213  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.251  -1.879   0.116  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        6.416  -0.969  -0.620  0.00  0.00    -0.492 OA
BRANCH  29  31
ATOM     30  C   LIG    1        8.558  -1.991  -0.416  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        7.072  -2.141  -0.142  0.00  0.00    +0.225 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 6