REMARK  Name = BDB036792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.824  -0.851  -0.516  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.667  -1.296   0.782  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1       -0.242  -1.129   1.202  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        1.640  -1.329  -1.295  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.373  -2.487   1.247  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        0.742  -2.895   2.583  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -0.451  -3.185   2.683  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        1.522  -2.776   3.705  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        1.052  -2.995   4.574  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        2.571  -1.905   3.844  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        2.927  -1.522   4.955  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.191  -1.380   2.572  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.882  -2.294   1.397  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -1.222   1.368  -2.782  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -0.369   0.363  -2.322  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1       -0.092   0.236  -0.958  0.00  0.00    +0.044 A 
ATOM     17  C   LIG    1       -0.658   1.139  -0.053  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1       -1.512   2.148  -0.504  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -1.798   2.258  -1.869  0.00  0.00    +0.091 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -2.252   2.386  -4.675  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -1.414   1.371  -4.137  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  18  22
ATOM     22  O   LIG    1       -1.998   2.957   0.487  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -2.859   4.019   0.096  0.00  0.00    +0.277 C 
ENDBRANCH  18  22
ENDBRANCH   1  16
TORSDOF 4