REMARK  Name = BDB036798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.241  -0.610   0.920  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.546   0.003  -0.024  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.192   0.800  -0.546  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.124  -1.551   1.611  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -1.683  -1.209  -1.938  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1       -2.595  -0.339  -1.232  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1       -2.524   0.101   0.071  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1       -3.741   0.754   0.292  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.040   1.275   1.565  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -3.116   1.120   2.603  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.900   0.482   2.374  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.404   0.713  -0.951  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1       -1.574  -0.016   1.103  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1       -3.704   0.070  -1.884  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  C   LIG    1        1.901  -0.451  -0.301  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        2.359   0.114  -1.649  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        1.582   0.581  -2.479  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        3.710   0.062  -1.893  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.005   0.453  -2.778  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.696  -0.020  -0.943  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.859   0.263  -1.216  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.279  -0.501   0.426  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        2.883  -0.013   0.781  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2