REMARK  Name = BDB034669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.185   0.080   0.115  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        4.126  -0.279  -0.793  0.00  0.00    -0.229 NA
ATOM      3  C   LIG    1        3.685  -0.986  -1.855  0.00  0.00    +0.149 A 
ATOM      4 CL   LIG    1        4.961  -1.389  -2.941  0.00  0.00    -0.061 Cl
ATOM      5  C   LIG    1        2.361  -1.354  -2.068  0.00  0.00    +0.110 A 
ATOM      6  C   LIG    1        1.400  -0.971  -1.112  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        1.838  -0.236  -0.004  0.00  0.00    +0.057 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.660   1.899   2.319  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        5.029   1.069   1.328  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1        5.559   0.752   0.520  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        3.666   0.870   1.294  0.00  0.00    +0.262 C 
ATOM     12  O   LIG    1        2.882   1.297   2.131  0.00  0.00    -0.269 OA
ENDBRANCH   1  11
BRANCH   5  13
ATOM     13  C   LIG    1        1.990  -2.100  -3.228  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        1.640  -2.722  -4.143  0.00  0.00    -0.191 NA
ENDBRANCH   5  13
BRANCH   6  15
ATOM     15  N   LIG    1        0.030  -1.272  -1.293  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -0.170  -2.099  -1.854  0.00  0.00    +0.152 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.143  -0.629  -0.841  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -2.301  -1.407  -0.659  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -3.427  -0.777  -0.177  0.00  0.00    +0.069 A 
ATOM     20  N   LIG    1       -4.685  -1.306   0.091  0.00  0.00    -0.306 N 
ATOM     21  H   LIG    1       -4.988  -2.259  -0.026  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -5.518  -0.283   0.574  0.00  0.00    +0.327 A 
ATOM     23  N   LIG    1       -4.736   0.888   0.594  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1       -5.177   2.183   1.023  0.00  0.00    +0.154 C 
ATOM     25  O   LIG    1       -6.684  -0.415   0.903  0.00  0.00    -0.247 OA
ATOM     26  C   LIG    1       -3.451   0.581   0.133  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -2.339   1.372  -0.029  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -1.180   0.751  -0.519  0.00  0.00    +0.025 A 
ENDBRANCH  15  17
ENDBRANCH   6  15
TORSDOF 4