REMARK  Name = BDB013697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.015   0.415   0.351  0.00  0.00    -0.326 N 
ATOM      2  H   LIG    1        0.886   0.910   1.224  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.291  -0.061   0.101  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        3.459   0.670   0.661  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.720   0.113   0.484  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        5.855   0.748   1.009  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.725   1.951   1.701  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.466   2.525   1.861  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.860  -1.136  -0.282  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.971  -1.648  -0.401  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.696  -1.649  -0.839  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.743  -2.882  -1.601  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        3.334   1.890   1.341  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.445  -1.141  -0.613  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.170  -0.347  -0.043  0.00  0.00    +0.122 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.493   0.461   0.165  0.00  0.00    +0.076 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.761  -0.396  -0.208  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.793  -1.756   0.524  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.061  -2.556   0.230  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -5.321  -1.758   0.535  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -5.320  -0.434  -0.215  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -4.066   0.382   0.087  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -0.991   2.881   0.199  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1       -1.582   1.771  -0.537  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -1.103   1.752  -1.918  0.00  0.00    +0.104 C 
ENDBRANCH  16  24
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5