REMARK  Name = BDB034729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230   2.831   1.141  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.443   1.962   0.268  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.745   1.613   0.564  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.628   0.752  -0.105  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.832   0.685   0.623  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -3.690   1.565   1.714  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -4.657   1.772   2.751  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.788  -0.032   0.365  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.404   2.119   1.684  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -1.792   3.001   2.545  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.468   3.361   2.257  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.560   3.251   0.910  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        1.934   3.821   1.663  0.00  0.00    +0.154 HD
BRANCH  12  16
ATOM     14  C   LIG    1        3.415   0.658  -0.802  0.00  0.00    +0.217 A 
ATOM     15  N   LIG    1        2.422   1.284  -0.159  0.00  0.00    -0.198 NA
ATOM     16  C   LIG    1        2.610   2.556   0.252  0.00  0.00    +0.146 A 
ATOM     17  C   LIG    1        3.810   3.213   0.011  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1        4.123   4.825   0.520  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        4.773   2.490  -0.653  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1        4.601   1.218  -1.063  0.00  0.00    -0.221 NA
BRANCH  14  21
ATOM     21  N   LIG    1        3.139  -0.638  -1.194  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1        2.328  -0.940  -0.664  0.00  0.00    +0.149 HD
BRANCH  21  24
ATOM     23  C   LIG    1        4.683  -1.992   0.157  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        4.248  -1.579  -1.250  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        3.787  -2.807  -2.036  0.00  0.00    +0.027 C 
ENDBRANCH  21  24
ENDBRANCH  14  21
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   4  26
ATOM     26  C   LIG    1       -2.326  -0.003  -1.296  0.00  0.00    +0.130 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.589  -1.322  -1.035  0.00  0.00    +0.056 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.446  -2.533  -0.601  0.00  0.00    +0.062 C 
ATOM     29  C   LIG    1       -1.524  -3.744  -0.405  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -3.533  -2.892  -1.619  0.00  0.00    +0.041 C 
BRANCH  28  31
ATOM     31  O   LIG    1       -3.055  -2.292   0.665  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -3.846  -1.731   0.525  0.00  0.00    +0.210 HD
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8