REMARK  Name = BDB047322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.931   0.300   5.480  0.00  0.00    +0.199 A 
ATOM      2  N   LIG    1        3.003   0.185   4.638  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        3.974   0.145   4.912  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.520   0.096   3.361  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1        1.149   0.141   3.505  0.00  0.00    +0.184 A 
ATOM      6  N   LIG    1        0.295   0.057   2.477  0.00  0.00    -0.193 NA
ATOM      7  C   LIG    1        0.882  -0.097   1.291  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1        2.219  -0.145   1.086  0.00  0.00    -0.197 NA
ATOM      9  C   LIG    1        3.089  -0.038   2.111  0.00  0.00    +0.150 A 
ATOM     10  N   LIG    1        0.794   0.282   4.822  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1        0.137  -0.214   0.117  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.773  -0.334  -0.657  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.230  -0.256  -0.169  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -1.635  -0.361  -1.505  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -2.991  -0.393  -1.865  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -4.005  -0.307  -0.905  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -3.591  -0.215   0.431  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -2.235  -0.183   0.793  0.00  0.00    +0.025 A 
BRANCH  16  19
ATOM     19  N   LIG    1       -5.374  -0.342  -1.211  0.00  0.00    -0.326 N 
ATOM     20  C   LIG    1       -5.776  -0.744  -2.576  0.00  0.00    +0.133 C 
ATOM     21  C   LIG    1       -7.300  -0.930  -2.639  0.00  0.00    +0.178 C 
ATOM     22  O   LIG    1       -7.990   0.267  -2.246  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1       -7.637   0.613  -0.897  0.00  0.00    +0.178 C 
ATOM     24  C   LIG    1       -6.125   0.850  -0.745  0.00  0.00    +0.133 C 
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   9  25
ATOM     25  N   LIG    1        4.463  -0.072   1.930  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1        4.964   0.445   2.641  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        5.076   0.032   0.604  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1        4.754   1.355  -0.102  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        5.471   1.450  -1.448  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        5.180   0.238  -2.330  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        5.524  -1.071  -1.623  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        4.804  -1.192  -0.280  0.00  0.00    +0.022 C 
ENDBRANCH  25  27
ENDBRANCH   9  25
TORSDOF 5