REMARK  Name = BDB034692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.326  -1.230  -1.497  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.766  -1.150  -2.776  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        0.871  -0.707  -3.684  0.00  0.00    +0.149 A 
ATOM      4 CL   LIG    1        1.536  -0.643  -5.272  0.00  0.00    -0.061 Cl
ATOM      5  C   LIG    1       -0.437  -0.335  -3.392  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1       -0.874  -0.427  -2.055  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.041  -0.883  -1.099  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        3.532  -2.089  -1.008  0.00  0.00    -0.309 N 
ATOM      9  H   LIG    1        3.665  -1.974  -2.009  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        2.316  -1.714  -0.483  0.00  0.00    +0.263 C 
ATOM     11  O   LIG    1        2.040  -1.749   0.710  0.00  0.00    -0.269 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.644  -2.515  -0.184  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.342  -1.373   0.584  0.00  0.00    +0.102 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.620   0.264  -1.212  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1        6.295  -0.566  -0.214  0.00  0.00    -0.307 NA
ATOM     16  C   LIG    1        7.078   0.291   0.683  0.00  0.00    +0.104 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1       -1.310   0.129  -4.422  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -2.065   0.493  -5.225  0.00  0.00    -0.191 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -2.176  -0.019  -1.684  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1       -2.883  -0.081  -2.415  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.696   0.477  -0.469  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -4.057   0.258  -0.188  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -4.554   0.707   1.020  0.00  0.00    +0.071 A 
ATOM     24  N   LIG    1       -5.846   0.626   1.554  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1       -5.857   1.230   2.831  0.00  0.00    +0.330 A 
ATOM     26  N   LIG    1       -4.538   1.681   3.059  0.00  0.00    -0.295 N 
ATOM     27  C   LIG    1       -4.080   2.353   4.240  0.00  0.00    +0.154 C 
ATOM     28  O   LIG    1       -6.812   1.339   3.583  0.00  0.00    -0.246 OA
ATOM     29  C   LIG    1       -6.976   0.025   0.908  0.00  0.00    +0.154 C 
ATOM     30  C   LIG    1       -3.746   1.357   1.952  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1       -2.411   1.587   1.713  0.00  0.00    +0.030 A 
ATOM     32  C   LIG    1       -1.891   1.137   0.491  0.00  0.00    +0.025 A 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 7