REMARK  Name = BDB053090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.769   1.139  -3.682  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.583   0.356  -2.769  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.674   0.586  -1.403  0.00  0.00    -0.256 N 
ATOM      4  C   LIG    1        0.166  -0.549  -0.632  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.138  -1.573  -1.706  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -0.605  -2.876  -1.605  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -0.799  -3.604  -2.784  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.529  -3.030  -4.040  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.059  -1.720  -4.137  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.132  -1.025  -2.958  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.212  -1.115   0.344  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.575  -1.186  -0.013  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.529  -1.701   0.869  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.134  -2.172   2.117  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.307  -2.794   3.209  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.792  -2.142   2.484  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.838  -1.625   1.602  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.853   1.941  -0.893  0.00  0.00    +0.168 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.448   2.075   0.476  0.00  0.00    +0.079 A 
ATOM     20  N   LIG    1        2.835   2.062   0.592  0.00  0.00    -0.142 N 
ATOM     21  O   LIG    1        3.597   1.968  -0.422  0.00  0.00    -0.164 OA
ATOM     22  C   LIG    1        3.398   2.154   1.858  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1        2.619   2.264   3.006  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        1.237   2.295   2.886  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        0.651   2.207   1.628  0.00  0.00    +0.026 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -0.989  -0.123   0.110  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.190   0.089  -0.633  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.181   0.816   0.255  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.199   2.332   0.231  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -4.311   1.566  -0.425  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -3.482   0.126   1.565  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.406   0.343   2.469  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -1.595   0.178   1.951  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8