REMARK  Name = BDB018641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.933  -2.578   1.597  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -1.549  -1.438   1.253  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.870  -1.453   1.054  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -3.608  -2.603   1.234  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.913  -3.713   1.643  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.583  -3.727   1.837  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.538  -0.290   0.603  0.00  0.00    -0.299 N 
ATOM      8  C   LIG    1       -3.251   0.966   1.383  0.00  0.00    +0.052 C 
ATOM      9  C   LIG    1       -3.385   0.748   2.917  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1       -4.804   0.389   3.361  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -5.820   1.426   2.900  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -5.728   1.675   1.401  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -4.304   2.045   0.982  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -1.829   1.511   1.063  0.00  0.00    +0.130 C 
ATOM     15  N   LIG    1       -1.534   1.588  -0.353  0.00  0.00    -0.312 N 
ATOM     16  H   LIG    1       -0.638   1.969  -0.627  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -1.981   0.631  -1.229  0.00  0.00    +0.230 C 
ATOM     18  O   LIG    1       -1.444   0.533  -2.335  0.00  0.00    -0.274 OA
ATOM     19  C   LIG    1       -3.245  -0.164  -0.859  0.00  0.00    +0.202 C 
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  N   LIG    1        0.452  -2.613   1.767  0.00  0.00    -0.268 N 
ATOM     21  H   LIG    1        0.697  -3.580   1.920  0.00  0.00    +0.156 HD
BRANCH  20  25
ATOM     22  C   LIG    1        3.295  -0.703  -0.709  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        1.921  -0.730  -0.959  0.00  0.00    +0.136 A 
ATOM     24  N   LIG    1        0.981  -1.331  -0.185  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        1.378  -1.967   0.928  0.00  0.00    +0.125 A 
ATOM     26  C   LIG    1        2.722  -2.000   1.278  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        3.670  -1.368   0.461  0.00  0.00    +0.028 A 
BRANCH  22  32
ATOM     28  C   LIG    1        6.319   1.193  -4.863  0.00  0.00    +0.105 C 
ATOM     29  N   LIG    1        6.183   1.185  -3.409  0.00  0.00    -0.302 NA
ATOM     30  C   LIG    1        4.928   1.831  -2.971  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1        3.779   0.873  -2.578  0.00  0.00    +0.120 C 
ATOM     32  N   LIG    1        4.209  -0.070  -1.530  0.00  0.00    -0.326 N 
ATOM     33  C   LIG    1        5.645  -0.396  -1.494  0.00  0.00    +0.120 C 
ATOM     34  C   LIG    1        6.291  -0.193  -2.885  0.00  0.00    +0.103 C 
ENDBRANCH  22  32
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4