REMARK  Name = BDB034748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.134  -3.742   2.794  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.347  -2.789   1.744  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.651  -2.029   1.125  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.044  -1.203   0.181  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.775  -0.321  -0.591  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.169  -0.258  -0.399  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        2.767  -1.124   0.548  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -1.334  -1.461   0.209  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        2.012  -2.013   1.327  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -1.599  -2.435   1.199  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.694  -2.868   1.522  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.919   0.614  -1.219  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        2.336   1.215  -1.794  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.202   1.188  -1.024  0.00  0.00    +0.148 A 
ATOM     15  C   LIG    1        4.785   1.907  -2.067  0.00  0.00    +0.118 A 
ATOM     16 CL   LIG    1        3.953   2.166  -3.557  0.00  0.00    -0.077 Cl
ATOM     17  C   LIG    1        6.050   2.404  -1.813  0.00  0.00    +0.154 A 
ATOM     18 CL   LIG    1        6.939   3.327  -2.966  0.00  0.00    -0.060 Cl
ATOM     19  N   LIG    1        6.725   2.240  -0.664  0.00  0.00    -0.204 NA
ATOM     20  C   LIG    1        6.072   1.536   0.255  0.00  0.00    +0.226 A 
ATOM     21 CL   LIG    1        6.875   1.281   1.737  0.00  0.00    -0.041 Cl
ATOM     22  N   LIG    1        4.853   0.999   0.141  0.00  0.00    -0.201 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -2.345  -0.767  -0.553  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.914   0.423   0.225  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.862   1.311  -0.599  0.00  0.00    +0.062 C 
ATOM     26  C   LIG    1       -5.025   0.528  -1.210  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.408   2.447   0.274  0.00  0.00    +0.041 C 
BRANCH  25  28
ATOM     28  O   LIG    1       -3.120   1.890  -1.678  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -2.546   2.583  -1.309  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6