REMARK  Name = BDB004379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.576  -2.259   0.225  0.00  0.00    +0.089 C 
ATOM      2  C   LIG    1       -0.221  -1.770  -0.294  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1        0.428  -2.861  -1.163  0.00  0.00    +0.090 C 
ATOM      4  C   LIG    1        0.056  -4.285  -0.730  0.00  0.00    +0.093 C 
ATOM      5  N   LIG    1       -0.266  -4.382   0.692  0.00  0.00    -0.315 NA
ATOM      6  H   LIG    1       -0.483  -5.347   0.943  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.373  -3.506   1.106  0.00  0.00    +0.093 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -2.607  -0.056   0.219  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1       -2.466  -0.084  -0.785  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -2.326  -1.167   0.981  0.00  0.00    +0.218 C 
ATOM     11  O   LIG    1       -2.669  -1.268   2.155  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.402   1.070   0.713  0.00  0.00    +0.101 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.919   0.735   0.667  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -5.485   0.546  -0.743  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -5.750   1.779   1.420  0.00  0.00    +0.009 C 
ENDBRANCH  12  13
BRANCH  12  16
ATOM     16  C   LIG    1       -2.980   2.352  -0.036  0.00  0.00    +0.182 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.066   2.147  -1.451  0.00  0.00    -0.378 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -3.766   4.321  -2.292  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -2.660   3.284  -2.211  0.00  0.00    +0.156 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1        1.933  -2.684  -1.385  0.00  0.00    +0.225 C 
ATOM     21  N   LIG    1        2.692  -2.305  -0.284  0.00  0.00    -0.253 N 
ATOM     22  O   LIG    1        2.427  -2.932  -2.489  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.168  -0.959  -0.247  0.00  0.00    +0.128 A 
ATOM     24  N   LIG    1        2.873  -0.150  -1.291  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1        3.303   1.132  -1.260  0.00  0.00    +0.116 A 
ATOM     26  C   LIG    1        4.013   1.696  -0.209  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        4.283   0.864   0.876  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.861  -0.469   0.858  0.00  0.00    +0.044 A 
BRANCH  26  29
ATOM     29  C   LIG    1        4.444   3.145  -0.260  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        5.951   3.307  -0.044  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        3.658   3.986   0.748  0.00  0.00    +0.012 C 
ENDBRANCH  26  29
ENDBRANCH  21  23
BRANCH  21  32
ATOM     32  C   LIG    1        2.833  -3.188   0.850  0.00  0.00    +0.083 C 
ATOM     33  C   LIG    1        4.184  -3.720   1.277  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1        3.185  -4.648   0.669  0.00  0.00    +0.025 C 
ENDBRANCH  21  32
ENDBRANCH   3  20
TORSDOF 10