REMARK  Name = BDB023095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.613  -0.658   1.585  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.307   0.567   1.773  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.526   0.024   2.519  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -1.772  -1.347   1.902  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.361  -1.864   1.552  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.363   1.266  -2.869  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.640   1.361  -1.793  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        2.910   0.274  -1.132  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.786  -1.123  -1.323  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.969  -1.616  -0.322  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        1.516  -0.558   0.440  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        2.152   0.562  -0.019  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        2.101   1.805   0.490  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.587   2.046   1.342  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        2.828   2.772  -0.155  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        3.556   2.623  -1.216  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        4.413  -0.016  -3.424  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        4.956   0.130  -4.220  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.325   1.596   2.549  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        0.192   1.319   3.483  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -1.151  -0.117   3.898  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -1.916  -0.486   4.377  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.780  -1.351   0.728  0.00  0.00    +0.150 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.484  -0.465  -0.465  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1       -1.610  -0.870  -1.489  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -1.329  -0.031  -2.576  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -0.248  -0.621  -3.787  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -1.927   1.228  -2.654  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -1.636   2.318  -3.961  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -2.808   1.637  -1.650  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -3.088   0.797  -0.568  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.957  -2.701   0.297  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -3.469  -2.684  -0.531  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7