REMARK  Name = BDB028738
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.644  -0.620  -0.729  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.628   0.369  -0.245  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.418  -0.267   0.723  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.008  -1.474   0.117  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        2.171  -1.468  -0.647  0.00  0.00    +0.234 C 
ATOM      6  O   LIG    1        2.401  -2.358  -1.474  0.00  0.00    -0.274 OA
ATOM      7  C   LIG    1       -0.010  -2.479  -0.206  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -1.042  -1.899  -1.199  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.212  -0.348  -0.408  0.00  0.00    +0.155 C 
ATOM     10  N   LIG    1        4.131  -0.282  -1.582  0.00  0.00    -0.303 NA
ATOM     11  H   LIG    1        4.059  -1.173  -2.086  0.00  0.00    +0.123 HD
ATOM     12  C   LIG    1        5.525  -0.072  -1.172  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1        5.666   0.853   0.054  0.00  0.00    +0.096 C 
ATOM     14  N   LIG    1        4.977   0.374   1.265  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.651  -0.064   1.892  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.928  -0.610   0.939  0.00  0.00    +0.109 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     17  C   LIG    1       -4.015  -0.958  -0.348  0.00  0.00    +0.066 A 
ATOM     18  C   LIG    1       -2.698  -0.884   0.180  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1       -2.432  -1.107   1.486  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1       -3.487  -1.358   2.299  0.00  0.00    +0.133 A 
ATOM     21  C   LIG    1       -4.804  -1.407   1.873  0.00  0.00    +0.061 A 
ATOM     22 CL   LIG    1       -6.076  -1.715   2.983  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1       -5.074  -1.192   0.529  0.00  0.00    +0.047 A 
BRANCH  17  24
ATOM     24  N   LIG    1       -4.280  -0.602  -1.688  0.00  0.00    -0.355 N 
ATOM     25  H   LIG    1       -3.417  -0.613  -2.231  0.00  0.00    +0.142 HD
ATOM     26  H   LIG    1       -5.050  -1.102  -2.116  0.00  0.00    +0.142 HD
ENDBRANCH  17  24
ENDBRANCH   1  18
BRANCH   2  27
ATOM     27  C   LIG    1       -1.269   1.681   0.201  0.00  0.00    -0.025 A 
ATOM     28  C   LIG    1       -1.291   2.103   1.540  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -1.898   3.311   1.898  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.495   4.105   0.923  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -3.245   5.588   1.368  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -2.495   3.702  -0.409  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -1.887   2.496  -0.766  0.00  0.00    +0.007 A 
ENDBRANCH   2  27
TORSDOF 4