REMARK  Name = BDB015899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547   2.118   0.064  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.200   1.032  -0.212  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.543   1.141  -0.155  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.161   2.338   0.211  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.302   3.391   0.469  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.042   3.317   0.395  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.010   0.543  -0.237  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.616   0.707  -0.178  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.015   1.971   0.001  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.874   3.079   0.118  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.262   2.934   0.053  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.827   1.672  -0.126  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.849  -4.342   0.025  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.951  -2.936  -0.282  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.992  -2.491  -1.007  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.780  -1.174  -1.081  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.599  -0.771  -0.416  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.087  -1.948   0.093  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.597   2.504   0.336  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.304   3.618  -0.072  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.615   3.366   0.220  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.743   4.232  -0.020  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.813   2.164   0.787  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.586   1.644   0.866  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.316  -0.006  -0.440  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.064   0.260  -1.080  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.577  -1.171  -0.946  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -0.911  -1.969   0.199  0.00  0.00    +0.090 C 
ATOM     29  N   LIG    1       -1.883  -2.565   1.084  0.00  0.00    -0.311 N 
ATOM     30  H   LIG    1       -2.518  -2.027   1.662  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1       -2.171  -3.869   0.749  0.00  0.00    +0.213 C 
ATOM     32  O   LIG    1       -3.080  -4.535   1.212  0.00  0.00    -0.276 OA
ATOM     33  C   LIG    1       -1.203  -4.304  -0.322  0.00  0.00    +0.097 C 
ATOM     34  C   LIG    1       -0.155  -3.192  -0.314  0.00  0.00    +0.033 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6