REMARK  Name = BDB052438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.515   0.889   0.604  0.00  0.00    +0.193 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.229   2.272   1.544  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1       -0.614   1.843   0.415  0.00  0.00    -0.203 NA
ATOM      4  O   LIG    1       -0.886   2.039   2.710  0.00  0.00    -0.272 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -2.502   3.162   1.199  0.00  0.00    +0.192 C 
ATOM      6  C   LIG    1       -2.369   4.653   1.784  0.00  0.00    +0.027 C 
BRANCH   5   9
ATOM      7  C   LIG    1       -6.106   2.147   1.719  0.00  0.00    +0.096 C 
ATOM      8  C   LIG    1       -4.774   2.677   1.110  0.00  0.00    +0.242 C 
ATOM      9  N   LIG    1       -3.688   2.571   1.843  0.00  0.00    -0.204 NA
ATOM     10  O   LIG    1       -5.024   3.137   0.004  0.00  0.00    -0.273 OA
ENDBRANCH   5   9
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        1.452   0.799  -0.675  0.00  0.00    +0.256 C 
ATOM     12  N   LIG    1        2.663   0.276  -0.362  0.00  0.00    -0.201 NA
ATOM     13  O   LIG    1        1.081   1.116  -1.807  0.00  0.00    -0.272 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.551  -0.105  -1.547  0.00  0.00    +0.218 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.961  -0.687  -1.073  0.00  0.00    +0.196 C 
ATOM     16  O   LIG    1        5.864   0.277  -0.891  0.00  0.00    -0.228 OA
ATOM     17  C   LIG    1        5.678  -1.628  -2.147  0.00  0.00    +0.030 C 
ENDBRANCH  14  15
BRANCH  14  18
ATOM     18  C   LIG    1        2.820  -1.188  -2.350  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.693  -1.223  -3.576  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        2.281  -2.378  -1.651  0.00  0.00    -0.087 NA
ENDBRANCH  14  18
ENDBRANCH  12  14
ENDBRANCH   1  11
BRANCH   1  21
ATOM     21  C   LIG    1       -0.056  -0.460   0.850  0.00  0.00    +0.027 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -0.675  -1.853   1.060  0.00  0.00    +0.028 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.344  -3.234   1.190  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -1.969  -4.423   1.235  0.00  0.00    -0.234 NA
ATOM     25  C   LIG    1       -2.783  -4.694   0.270  0.00  0.00    +0.284 C 
ATOM     26  N   LIG    1       -3.469  -5.988   0.311  0.00  0.00    -0.104 NA
ATOM     27  N   LIG    1       -3.075  -3.814  -0.861  0.00  0.00    -0.104 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11