REMARK  Name = BDB034668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.379   0.831  -0.575  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -1.210   1.450  -0.110  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.588   2.533   0.684  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.658   3.349   1.286  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        0.692   3.044   1.072  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.097   1.948   0.267  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -2.986   2.581   0.716  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -3.768   3.552   1.424  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        0.118   1.138  -0.329  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -3.501   1.525  -0.064  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -4.676   1.258  -0.257  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        2.481   1.686   0.151  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        3.043   2.531   0.238  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.197   0.493  -0.097  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        4.463   0.517  -0.713  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        5.098  -0.695  -0.958  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        6.650  -0.811  -1.697  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        4.586  -1.904  -0.649  0.00  0.00    -0.227 NA
ATOM     19  CA  LIG    1        3.366  -1.913  -0.065  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        2.651  -0.757   0.222  0.00  0.00    +0.059 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.083   1.752  -1.074  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        5.548   2.785  -1.325  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
BRANCH  19  23
ATOM     23  C   LIG    1        2.765  -3.234   0.286  0.00  0.00    +0.355 C 
ATOM     24  O   LIG    1        1.646  -3.401   0.746  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  OXT LIG    1        3.588  -4.271   0.045  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1        3.091  -5.075   0.296  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  27
ATOM     27  C   LIG    1       -2.452  -0.329  -1.429  0.00  0.00    +0.129 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.804  -1.615  -0.677  0.00  0.00    +0.053 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -2.110  -3.394   0.960  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1       -1.693  -2.111   0.249  0.00  0.00    +0.113 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -0.520  -2.364  -0.523  0.00  0.00    -0.392 OA
ATOM     32  H   LIG    1        0.100  -2.866   0.049  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9