REMARK  Name = BDB018540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.636  -2.052  -0.168  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.174  -2.095   0.019  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.450  -3.272  -0.194  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.222  -4.421  -0.573  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.545  -5.643  -0.765  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.596  -4.447  -0.765  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.246  -5.433  -1.098  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.300  -3.161  -0.542  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.940   1.448   0.451  0.00  0.00    +0.118 A 
ATOM     10  N   LIG    1       -4.069   0.420   1.310  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -3.330  -0.689   1.074  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -2.457  -0.837  -0.000  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.366   0.228  -0.894  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.115   1.381  -0.666  0.00  0.00    +0.044 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -3.906   3.776   0.957  0.00  0.00    +0.127 C 
ATOM     16  N   LIG    1       -4.705   2.579   0.742  0.00  0.00    -0.332 N 
ATOM     17  H   LIG    1       -5.201   2.318   1.595  0.00  0.00    +0.147 HD
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1        0.575  -0.934   0.406  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        1.721  -0.463  -0.198  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.088   0.697   0.460  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1        1.243   0.955   1.478  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        0.335  -0.019   1.443  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        3.211   1.539   0.195  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        3.337   2.831   0.763  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        4.499   3.580   0.483  0.00  0.00    +0.060 A 
ATOM     26 CL   LIG    1        4.758   5.170   1.125  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        5.504   3.073  -0.345  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        5.368   1.813  -0.914  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.231   1.050  -0.648  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1        2.309   3.458   1.556  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        1.509   4.037   2.168  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5