REMARK  Name = BDB065037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.522  -0.044  -1.518  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.285  -0.467  -0.417  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -2.561  -1.043  -0.574  0.00  0.00    -0.023 A 
ATOM      4  C   LIG    1       -3.059  -1.162  -1.885  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -2.308  -0.745  -2.985  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.043  -0.191  -2.801  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.428  -1.491   0.618  0.00  0.00    +0.060 C 
ATOM      8  N   LIG    1       -4.120  -2.731   0.274  0.00  0.00    -0.290 N 
ATOM      9  H   LIG    1       -3.598  -3.470  -0.179  0.00  0.00    +0.151 HD
ATOM     10  C   LIG    1       -5.304  -3.129   0.797  0.00  0.00    +0.300 C 
ATOM     11  O   LIG    1       -5.729  -4.267   0.633  0.00  0.00    -0.253 OA
ATOM     12  N   LIG    1       -6.013  -2.201   1.485  0.00  0.00    -0.299 N 
ATOM     13  H   LIG    1       -6.863  -2.559   1.902  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -5.514  -0.905   1.873  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -4.475  -0.393   0.892  0.00  0.00    +0.049 C 
ATOM     16  C   LIG    1       -2.591  -1.772   1.887  0.00  0.00    +0.037 C 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        1.669   1.012  -2.142  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        0.740   0.513  -1.247  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.033   0.570  -0.274  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        1.571   1.072  -3.361  0.00  0.00    -0.268 OA
BRANCH  17  26
ATOM     21  C   LIG    1        6.192   3.095  -2.224  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1        5.016   2.495  -1.514  0.00  0.00    +0.042 A 
ATOM     23  N   LIG    1        5.078   2.412  -0.168  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        4.036   1.873   0.497  0.00  0.00    +0.133 A 
ATOM     25  N   LIG    1        2.928   1.422  -0.116  0.00  0.00    -0.227 NA
ATOM     26  C   LIG    1        2.908   1.523  -1.468  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        3.927   2.053  -2.224  0.00  0.00    +0.056 A 
BRANCH  24  28
ATOM     28  C   LIG    1        4.113   1.782   2.001  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1        5.255   1.040   2.658  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        3.872   0.463   2.700  0.00  0.00    +0.012 C 
ENDBRANCH  24  28
ENDBRANCH  17  26
ENDBRANCH   1  18
TORSDOF 4