REMARK  Name = BDB053076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.279   0.542   0.263  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1       -0.112   0.963   0.429  0.00  0.00    +0.192 C 
ATOM      3  C   LIG    1       -0.262   1.054   1.930  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        0.948   0.728   2.535  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.118   0.723   3.906  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.015   1.059   4.692  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.216   1.391   4.096  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.363   1.391   2.705  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        1.926   0.425   1.484  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.088   0.154   1.718  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.377   2.335  -0.226  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.402   3.462   0.112  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.165   4.707  -0.477  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.856   4.848  -1.412  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -1.149   6.380  -2.136  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.641   3.754  -1.763  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.404   2.508  -1.174  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   1  19
ATOM     18  C   LIG    1        3.190   1.258  -1.188  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1        1.911   0.422  -1.056  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.135  -1.024  -1.478  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        3.070  -1.853  -0.840  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.244  -3.180  -1.242  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.486  -3.692  -2.291  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        2.695  -5.327  -2.781  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        1.559  -2.886  -2.944  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        1.386  -1.559  -2.541  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  O   LIG    1       -1.004  -0.006  -0.128  0.00  0.00    -0.347 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.947  -1.332   0.388  0.00  0.00    +0.172 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.202  -2.060  -0.051  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -2.062  -3.514  -0.468  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -2.326  -2.461  -1.509  0.00  0.00    +0.012 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -3.442  -1.612   0.693  0.00  0.00    +0.165 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.587  -2.361   0.299  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1       -5.338  -2.014   0.808  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8