REMARK  Name = BDB006903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.125  -1.932  -0.732  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.134  -2.488  -0.904  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.393  -1.924  -1.186  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.370  -2.915  -1.140  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.686  -2.576  -1.368  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.072  -1.313  -1.643  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.108  -0.355  -1.702  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.797  -4.263  -0.794  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.229  -4.690   0.614  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        2.170  -5.338  -1.819  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.752  -0.627  -1.497  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        0.283  -3.951  -0.838  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.113  -2.672  -0.631  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.248  -0.402  -0.649  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.772   1.486  -0.388  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.559   0.041  -0.102  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.625  -0.221   1.359  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.118   0.922   2.292  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -1.429   0.347   3.529  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -1.204   1.848   1.611  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -0.889   2.581   2.245  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -1.878   2.457   0.450  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -4.272   1.844  -0.243  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.876   3.521  -0.664  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -4.501   3.168  -0.742  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        3.564   1.056  -2.012  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.162   2.078  -0.968  0.00  0.00    -0.041 A 
ATOM     28  C   LIG    1        2.277   3.119  -1.291  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        1.888   4.040  -0.317  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        2.382   3.923   0.976  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1        2.001   4.804   1.911  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        3.267   2.907   1.314  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        3.660   1.986   0.343  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6