REMARK  Name = BDB001360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.571   0.213   0.040  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1       -0.459   0.116  -0.907  0.00  0.00    -0.248 N 
ATOM      3  C   LIG    1       -0.867   0.327  -2.213  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.176   0.374  -3.213  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -2.322   0.496  -2.201  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.183   0.695  -3.264  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -4.542   0.824  -2.972  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.001   0.753  -1.644  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.109   0.552  -0.585  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.759   0.424  -0.880  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -1.424   1.407   0.997  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.391   1.226   2.392  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.266   2.315   3.259  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -1.177   3.607   2.752  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.211   3.815   1.377  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -1.334   2.727   0.508  0.00  0.00    +0.008 A 
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  O   LIG    1       -1.703  -1.012   0.768  0.00  0.00    -0.348 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.904  -2.209   0.018  0.00  0.00    +0.163 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.207  -4.695   0.307  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -2.035  -3.360   1.009  0.00  0.00    +0.025 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  21
ATOM     21  C   LIG    1        0.962  -0.053  -0.559  0.00  0.00    +0.192 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.251  -0.907   0.682  0.00  0.00    +0.328 C 
ATOM     23  O   LIG    1        1.142  -0.538   1.845  0.00  0.00    -0.249 OA
BRANCH  22  24
ATOM     24  O   LIG    1        1.647  -2.160   0.306  0.00  0.00    -0.467 OA
ATOM     25  C   LIG    1        2.013  -3.007   1.396  0.00  0.00    +0.280 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  C   LIG    1        1.688   1.302  -0.430  0.00  0.00    +0.069 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.192   1.173  -0.530  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        3.985   1.168   0.627  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.371   1.028   0.534  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        5.963   0.892  -0.718  0.00  0.00    +0.117 A 
ATOM     31  C   LIG    1        5.192   0.892  -1.874  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        3.807   1.033  -1.782  0.00  0.00    +0.007 A 
BRANCH  30  33
ATOM     33  O   LIG    1        7.313   0.752  -0.853  0.00  0.00    -0.507 OA
ATOM     34  H   LIG    1        7.715   0.789   0.030  0.00  0.00    +0.292 HD
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   2  21
TORSDOF 10