REMARK  Name = BDB046471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.110  -1.847  -1.514  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   1   7
ATOM      2  N   LIG    1       -3.456  -1.874  -0.279  0.00  0.00    -0.209 N 
ATOM      3  C   LIG    1       -3.705  -2.251  -1.597  0.00  0.00    +0.347 A 
ATOM      4  O   LIG    1       -4.788  -2.461  -2.120  0.00  0.00    -0.245 OA
ATOM      5  N   LIG    1       -2.467  -2.320  -2.190  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -2.248  -2.614  -3.585  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1       -1.586  -1.929  -1.249  0.00  0.00    +0.134 A 
ATOM      8  N   LIG    1       -2.109  -1.659  -0.088  0.00  0.00    -0.153 NA
BRANCH   2   9
ATOM      9  C   LIG    1       -4.457  -1.540   0.704  0.00  0.00    +0.184 C 
BRANCH   9  15
ATOM     10  C   LIG    1       -5.956   4.093   0.425  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.551   2.648   0.518  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1       -4.458   2.240   1.307  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.642   3.232   2.091  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -4.117   0.878   1.359  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.849  -0.083   0.647  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1       -5.921   0.336  -0.147  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -6.270   1.686  -0.207  0.00  0.00    +0.004 A 
ENDBRANCH   9  15
ENDBRANCH   2   9
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.550  -3.200  -1.247  0.00  0.00    +0.012 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.027  -3.235  -1.652  0.00  0.00    +0.035 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.899  -2.301  -0.852  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1        3.178  -2.563   0.493  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.978  -1.686   1.230  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.512  -0.534   0.647  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        4.242  -0.275  -0.694  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        3.441  -1.152  -1.437  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1        5.267   0.216   1.500  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.784   1.499   1.144  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1        7.018   1.344   0.241  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1        6.271   2.108   2.474  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1        4.780   2.513   0.560  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1        4.930   3.187  -0.449  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1        3.640   2.620   1.276  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1        3.090   3.256   0.774  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10