REMARK  Name = BDB053372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.263  -1.013   0.344  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1       -1.177  -0.797  -0.692  0.00  0.00    +0.221 C 
ATOM      3  O   LIG    1       -1.353  -1.629  -1.587  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.904   0.550  -0.733  0.00  0.00    +0.096 C 
ATOM      5  C   LIG    1       -3.286   0.428  -1.429  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -3.655   1.760  -2.099  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -2.622   2.126  -3.169  0.00  0.00    +0.081 C 
ATOM      8  N   LIG    1       -1.249   1.718  -2.862  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -1.063   0.815  -3.307  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -1.004   1.592  -1.424  0.00  0.00    +0.094 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.359  -0.082  -0.475  0.00  0.00    -0.037 A 
ATOM     12  C   LIG    1       -4.884  -1.314  -0.606  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -5.928  -1.817   0.329  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -6.381  -2.947   0.170  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -6.312  -0.936   1.337  0.00  0.00    -0.318 N 
ATOM     16  C   LIG    1       -7.330  -1.347   2.291  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1       -5.764   0.327   1.457  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -4.828   0.764   0.606  0.00  0.00    +0.022 A 
ENDBRANCH   5  11
ENDBRANCH   2   4
BRANCH   1  19
ATOM     19  C   LIG    1        0.021  -0.057   1.390  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        0.292  -0.474   2.817  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -0.981   0.232   2.482  0.00  0.00    +0.024 C 
ENDBRANCH   1  19
BRANCH   1  22
ATOM     22  C   LIG    1        0.628  -2.172   0.229  0.00  0.00    +0.143 C 
BRANCH  22  25
ATOM     23  C   LIG    1        4.309  -1.171  -0.097  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        3.073  -1.546   0.452  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.964  -1.797  -0.371  0.00  0.00    -0.028 A 
ATOM     26  C   LIG    1        2.102  -1.659  -1.760  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.327  -1.282  -2.308  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1        3.481  -1.111  -4.014  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        4.426  -1.039  -1.486  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  C   LIG    1        5.491  -0.891   0.799  0.00  0.00    +0.037 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.452   0.500   1.441  0.00  0.00    +0.033 C 
BRANCH  31  32
ATOM     32  C   LIG    1        5.634   1.648   0.446  0.00  0.00    +0.160 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.998   1.883   0.324  0.00  0.00    +0.193 C 
ATOM     34  O   LIG    1        6.808   1.499  -0.350  0.00  0.00    -0.383 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 9