REMARK  Name = BDB001386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.702  -0.165   0.436  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        0.350   0.847   0.573  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1        0.596   1.177   1.894  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        1.356   2.018   2.336  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.204   0.280   2.726  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.247   0.184   4.105  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.082  -0.789   4.656  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.844  -1.630   3.825  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.781  -1.512   2.433  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.942  -0.548   1.887  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.345  -1.379  -0.420  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.751  -2.198  -0.079  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        1.083  -3.320  -0.843  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        0.323  -3.651  -1.960  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -0.771  -2.865  -2.311  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.103  -1.742  -1.547  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -1.978   0.406   0.096  0.00  0.00    -0.345 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.017   1.509  -0.794  0.00  0.00    +0.191 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.477   1.889  -1.040  0.00  0.00    +0.187 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.410   4.231  -1.429  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1       -3.601   2.941  -1.996  0.00  0.00    -0.381 OA
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  22
ATOM     22  C   LIG    1        1.157   1.376  -0.517  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.439   0.620  -0.782  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        2.606  -0.097  -1.978  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.789  -0.793  -2.232  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.823  -0.776  -1.300  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.676  -0.060  -0.114  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.493   0.636   0.142  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7