REMARK  Name = BDB034682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.307  -0.448   1.212  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.602  -0.277   0.691  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.103  -1.253  -0.148  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -3.339  -1.341  -0.804  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.358  -2.516  -1.591  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.125  -3.161  -1.361  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -1.698  -4.385  -1.973  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.259  -2.884  -2.327  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.357  -2.381  -0.488  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -0.087  -2.582   0.001  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.434  -1.601   0.856  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.224   0.570   2.034  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -0.498   1.085   2.536  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        3.873   1.139   1.631  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1        4.230   1.713   2.803  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        3.247   1.917   3.704  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        3.826   2.651   5.150  0.00  0.00    -0.061 Cl
ATOM     18  C   LIG    1        1.914   1.577   3.506  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        1.553   0.982   2.283  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.566   0.763   1.339  0.00  0.00    +0.059 A 
BRANCH  14  21
ATOM     21  C   LIG    1        4.935   0.894   0.609  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1        4.722   0.337  -0.458  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.130   1.366   1.041  0.00  0.00    -0.460 OA
BRANCH  23  25
ATOM     24  C   LIG    1        7.877  -0.165   0.363  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        7.237   1.194   0.147  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  14  21
BRANCH  18  26
ATOM     26  C   LIG    1        0.939   1.825   4.521  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        0.102   2.020   5.301  0.00  0.00    -0.191 NA
ENDBRANCH  18  26
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -4.379  -0.344  -0.795  0.00  0.00    +0.129 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.142   0.730  -1.855  0.00  0.00    +0.053 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.307   1.712  -1.991  0.00  0.00    +0.113 C 
ATOM     31  C   LIG    1       -5.562   2.524  -0.728  0.00  0.00    +0.037 C 
BRANCH  30  32
ATOM     32  O   LIG    1       -5.004   2.635  -3.036  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -4.923   2.127  -3.862  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 10