REMARK  Name = BDB036238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.040  -1.384   0.122  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.754  -0.001  -0.070  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.424   0.354  -0.169  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.383   1.717  -0.330  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.698   2.137  -0.334  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        0.630  -0.581  -0.102  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.353  -1.844   0.080  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.538   1.056  -0.177  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -0.973  -2.209   0.193  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.224  -3.868   1.526  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.208  -3.021   0.858  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -5.528  -2.312  -0.227  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.387  -1.664  -0.557  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.407  -0.843  -1.747  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.337  -1.954   0.287  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -3.855  -2.842   1.212  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -2.250   3.523  -0.466  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -2.997   3.711  -1.781  0.00  0.00    +0.044 C 
BRANCH  17  19
ATOM     19  O   LIG    1       -1.214   4.509  -0.391  0.00  0.00    -0.386 OA
ATOM     20  H   LIG    1       -1.657   5.374  -0.367  0.00  0.00    +0.210 HD
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  21
ATOM     21  N   LIG    1        1.926  -0.127  -0.228  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.057   0.764  -0.693  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.029  -1.048  -0.429  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.327  -0.310  -0.269  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.804   0.091   0.976  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.252  -0.148   2.331  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.129   0.817   3.129  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.346   1.074   2.390  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.010   0.769   1.097  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.793   1.080   0.003  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.327   0.704  -1.256  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        5.109   0.021  -1.382  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.693  -0.318  -2.610  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6