REMARK  Name = BDB016204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.829   1.339   2.562  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.087   0.545   1.277  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.816   0.379   0.583  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.197   1.173   0.744  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.793  -0.041  -0.761  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -2.808  -0.803  -1.395  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -2.660  -1.137  -2.768  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -1.524  -0.796  -3.496  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -0.492  -0.120  -2.865  0.00  0.00    +0.012 A 
ATOM     10 CL   LIG    1       -3.894  -2.019  -3.616  0.00  0.00    -0.082 Cl
ATOM     11  N   LIG    1       -3.997  -1.285  -0.795  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1       -4.639  -1.754  -1.429  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -4.451  -1.337   0.480  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.547  -1.866   0.690  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -0.608   0.244  -1.514  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -3.631  -0.824   1.616  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  15  17
ATOM     17  C   LIG    1        0.556   0.949  -0.923  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1        1.636   0.225  -0.573  0.00  0.00    +0.078 C 
BRANCH  17  19
ATOM     19  C   LIG    1        0.530   2.423  -0.718  0.00  0.00    +0.111 C 
ATOM     20  N   LIG    1       -0.487   3.200  -0.894  0.00  0.00    -0.307 NA
ATOM     21  H   LIG    1       -1.301   2.674  -1.230  0.00  0.00    +0.186 HD
ENDBRANCH  17  19
BRANCH  18  22
ATOM     22  N   LIG    1        2.831   0.606   0.003  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        2.840   1.541   0.402  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.862  -0.287   0.555  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1        4.374  -1.252  -0.523  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1        5.034   0.588   1.031  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1        3.294  -1.062   1.751  0.00  0.00    +0.031 C 
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  15  17
TORSDOF 4