REMARK  Name = BDB004048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.310   0.172  -0.153  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        1.628  -0.544  -0.788  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.827   1.047  -0.346  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -2.004   1.777   0.515  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.633   1.500   0.594  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.049   0.500  -0.190  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.887  -0.216  -1.061  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -2.259   0.052  -1.146  0.00  0.00    +0.015 A 
BRANCH   3  11
ATOM      9  N   LIG    1       -5.119   0.373  -0.824  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -4.791  -0.587  -0.818  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -4.279   1.376  -0.395  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -4.680   2.478  -0.036  0.00  0.00    -0.270 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -6.560   0.518  -0.743  0.00  0.00    +0.120 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -7.274  -0.658  -1.430  0.00  0.00    +0.102 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.310  -3.024  -1.897  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1       -6.749  -1.986  -1.027  0.00  0.00    -0.307 NA
ATOM     17  C   LIG    1       -7.076  -2.288   0.370  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.402   0.639   0.575  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1        3.572   0.052   0.272  0.00  0.00    -0.199 NA
ATOM     20  C   LIG    1        4.681   0.457   0.916  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        4.629   1.417   1.900  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        3.396   1.958   2.155  0.00  0.00    +0.118 A 
ATOM     23  N   LIG    1        2.281   1.593   1.504  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  N   LIG    1        5.858  -0.198   0.554  0.00  0.00    -0.298 N 
ATOM     25  H   LIG    1        5.644  -0.957  -0.088  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1        7.220   0.162   0.539  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        8.205  -0.839   0.387  0.00  0.00    +0.062 A 
ATOM     28 CL   LIG    1        7.755  -2.495   0.149  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        9.569  -0.531   0.416  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        9.980   0.786   0.599  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        9.027   1.790   0.747  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        7.662   1.479   0.721  0.00  0.00    +0.025 A 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 8