REMARK  Name = BDB050438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.925  -1.419  -0.405  0.00  0.00    -0.330 N 
ATOM      2  C   LIG    1        0.551  -1.588  -0.219  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.005  -2.878  -0.063  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.386  -3.053   0.134  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -2.244  -1.958   0.145  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.737  -0.671  -0.039  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1        0.869  -4.107  -0.059  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.213  -3.836  -0.711  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.351  -0.508  -0.223  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        2.797  -2.564  -0.124  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.633   0.496  -0.039  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.220   0.973  -1.226  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -2.959   0.312  -2.552  0.00  0.00    +0.066 C 
ATOM     14  N   LIG    1       -4.053   2.048  -1.269  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1       -4.326   2.681  -0.121  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.803   2.284   1.099  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -2.941   1.183   1.154  0.00  0.00    -0.038 A 
ATOM     18  C   LIG    1       -2.378   0.756   2.483  0.00  0.00    +0.044 C 
BRANCH  15  19
ATOM     19  N   LIG    1       -5.199   3.762  -0.201  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.792   4.597   0.202  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -5.414   3.885  -1.188  0.00  0.00    +0.144 HD
ENDBRANCH  15  19
ENDBRANCH   6  11
BRANCH   1  22
ATOM     22  C   LIG    1        2.567  -0.096  -0.343  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.701   0.402   1.099  0.00  0.00    +0.047 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.245   1.824   1.153  0.00  0.00    +0.161 C 
BRANCH  24  26
ATOM     25  C   LIG    1        5.109   3.162   0.614  0.00  0.00    +0.193 C 
ATOM     26  O   LIG    1        4.550   1.855   0.579  0.00  0.00    -0.383 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 6