REMARK  Name = BDB064263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.113  -1.792  -1.431  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.943  -0.769  -0.777  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -1.959  -0.118  -0.110  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -1.804   0.830   0.204  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.404  -0.140  -0.700  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.297  -0.345  -1.758  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        2.570   0.228  -1.723  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.973   1.004  -0.627  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1        2.082   1.189   0.440  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        0.805   0.620   0.406  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1        4.360   1.601  -0.586  0.00  0.00    +0.142 C 
BRANCH  11  12
ATOM     12  N   LIG    1        5.384   0.612  -0.309  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1        6.089  -0.049  -1.304  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        6.070   0.194  -2.499  0.00  0.00    -0.276 OA
ATOM     15  C   LIG    1        6.852  -1.179  -0.654  0.00  0.00    +0.097 C 
ATOM     16  C   LIG    1        6.783  -0.836   0.830  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1        5.484  -0.066   0.958  0.00  0.00    +0.108 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -3.339  -0.582  -0.197  0.00  0.00    +0.106 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.266   0.569   0.168  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -4.379   1.036   1.488  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -5.224   2.106   1.795  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.954   2.724   0.784  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.991   4.044   1.163  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -5.846   2.284  -0.532  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -5.003   1.213  -0.840  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -3.556  -1.844   0.659  0.00  0.00    +0.055 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.934  -2.460   0.454  0.00  0.00    +0.158 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -5.050  -3.645   1.235  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1       -4.384  -4.275   0.907  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   3  18
TORSDOF 8