REMARK  Name = BDB036858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100  -1.095   1.907  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -1.212  -1.404   1.496  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.997  -2.281   2.352  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        0.501  -1.470   3.013  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.906  -0.899   0.296  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -1.336  -1.470  -1.015  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -0.815  -2.583  -1.099  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -1.514  -0.710  -2.145  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -0.983  -1.040  -2.938  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -1.841   0.620  -2.164  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -1.499   1.351  -3.089  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -2.689   1.099  -1.013  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.147   0.612   0.318  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  19
ATOM     14  C   LIG    1        4.206   1.407   0.209  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        2.882   0.763   0.372  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        1.906   0.751  -0.585  0.00  0.00    -0.271 N 
ATOM     17  C   LIG    1        1.942   1.343  -1.904  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        0.783   0.117  -0.199  0.00  0.00    -0.167 NA
ATOM     19  C   LIG    1        1.033  -0.320   1.048  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        2.348   0.069   1.436  0.00  0.00    +0.057 A 
ENDBRANCH   1  19
TORSDOF 2