REMARK  Name = BDB019685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.597  -1.189   0.853  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -0.234  -1.343   0.565  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.512  -0.279   0.038  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -0.108   0.948  -0.229  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -1.462   1.111   0.056  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.194   0.057   0.609  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.955  -0.509  -0.247  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.779   0.593  -0.161  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        2.431   1.430   0.283  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.353  -1.639  -0.504  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.213   0.467  -0.293  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.866   0.336   1.060  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        5.344   1.467   1.738  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.926   1.344   3.006  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        6.491   2.787   3.771  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        6.029   0.086   3.609  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        6.732  -0.140   5.170  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        5.546  -1.043   2.942  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        4.965  -0.918   1.678  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.389  -2.335   1.430  0.00  0.00    +0.158 C 
BRANCH  20  23
ATOM     21  C   LIG    1       -2.175  -3.903  -1.233  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -3.438  -3.447  -0.597  0.00  0.00    +0.107 A 
ATOM     23  N   LIG    1       -3.501  -2.728   0.576  0.00  0.00    -0.330 N 
ATOM     24  C   LIG    1       -4.824  -2.494   0.849  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.512  -3.073  -0.187  0.00  0.00    +0.130 A 
ATOM     26  N   LIG    1       -4.650  -3.660  -1.072  0.00  0.00    -0.241 NA
ENDBRANCH  20  23
ENDBRANCH   1  20
BRANCH   5  27
ATOM     27  O   LIG    1       -2.168   2.270  -0.148  0.00  0.00    -0.489 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.698   3.208  -1.144  0.00  0.00    +0.173 C 
ATOM     29  C   LIG    1       -2.709   4.328  -1.500  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -3.162   3.465  -2.691  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -1.789   2.772  -2.630  0.00  0.00    +0.044 C 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7