REMARK  Name = BDB018449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.171   1.216  -0.631  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.081   1.226   0.144  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.374   2.345   0.839  0.00  0.00    +0.101 A 
ATOM      4  N   LIG    1       -0.448   3.458   0.854  0.00  0.00    -0.317 N 
ATOM      5  C   LIG    1       -0.045   4.609   1.648  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.648   3.500   0.160  0.00  0.00    +0.255 A 
ATOM      7  O   LIG    1       -2.419   4.454   0.139  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.989   2.282  -0.616  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.962   0.092   0.186  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.338   0.112   0.120  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        2.784  -1.199   0.206  0.00  0.00    -0.238 N 
ATOM     12  N   LIG    1        1.734  -2.041   0.347  0.00  0.00    -0.174 NA
ATOM     13  C   LIG    1        0.650  -1.268   0.321  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        4.137  -1.659   0.131  0.00  0.00    +0.084 A 
ATOM     15  C   LIG    1        4.528  -2.977   0.443  0.00  0.00    +0.066 A 
ATOM     16 CL   LIG    1        3.494  -4.228   1.047  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1        5.878  -3.352   0.322  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        6.844  -2.443  -0.100  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.472  -1.141  -0.405  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.134  -0.752  -0.291  0.00  0.00    +0.029 A 
ENDBRANCH  11  14
ENDBRANCH   2   9
BRANCH   1  21
ATOM     21  O   LIG    1       -1.380   0.054  -1.345  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.550  -0.097  -2.157  0.00  0.00    +0.267 C 
BRANCH  22  27
ATOM     23  C   LIG    1       -5.804  -2.026   1.150  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1       -5.196  -1.301   0.062  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1       -5.959  -0.530  -0.732  0.00  0.00    -0.180 NA
ATOM     26  C   LIG    1       -5.091  -0.019  -1.606  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -3.766  -0.456  -1.379  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -3.878  -1.297  -0.289  0.00  0.00    +0.115 A 
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5