REMARK  Name = BDB036829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.766  -2.288   0.029  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.435  -1.698   0.050  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.751  -1.641  -1.167  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -2.143  -2.199  -2.190  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.486  -0.891  -1.272  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -0.474   0.499  -1.154  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        0.734   1.206  -1.247  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1        0.712   2.710  -1.125  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        2.091   3.311  -0.863  0.00  0.00    +0.005 C 
ATOM     10  C   LIG    1        3.117   2.726  -1.824  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1        3.253   1.220  -1.609  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        1.925   0.506  -1.521  0.00  0.00    -0.044 A 
ATOM     13  C   LIG    1        1.891  -0.889  -1.679  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        0.687  -1.585  -1.570  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -1.916  -1.336   1.388  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -1.896   0.172   1.678  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.679   0.976   1.175  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -1.003   0.587   2.640  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -1.011   1.576   2.851  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -0.210  -0.189   3.447  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        0.438   0.309   4.363  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -0.249  -1.680   3.205  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -0.585  -1.993   1.754  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2