REMARK  Name = BDB034413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420   1.044   1.319  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        2.753   0.477   1.102  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1        3.482   1.173   1.251  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1        3.054  -0.307  -0.029  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1        4.385  -0.776  -0.231  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1        4.645  -1.574  -1.373  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1        5.933  -2.030  -1.610  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        6.977  -1.733  -0.739  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        6.747  -0.972   0.397  0.00  0.00    +0.021 A 
ATOM     10 CL   LIG    1        8.561  -2.321  -1.066  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1        3.695  -1.924  -2.249  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1        2.437  -1.511  -2.007  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        5.460  -0.500   0.650  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.073  -0.729  -0.928  0.00  0.00    +0.043 A 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.526   0.042   2.052  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.866   0.605   2.341  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.596   0.845   1.097  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1       -1.741  -0.044   0.614  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.923   1.406   1.367  0.00  0.00    +0.120 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.563   0.584  -0.408  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -3.697   1.583   0.079  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.515   2.761  -0.668  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -4.199   2.957  -1.866  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.066   1.976  -2.335  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.246   0.794  -1.612  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.539  -1.572  -0.100  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -4.662  -0.550   0.356  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8