REMARK  Name = BDB026344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.120  -1.129   1.866  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.400   0.298   1.565  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.691   0.561   0.752  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.848  -0.082   1.410  0.00  0.00    -0.325 N 
ATOM      5  C   LIG    1       -2.648  -1.513   1.717  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.327  -1.713   2.501  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.091   0.223   0.831  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -4.571  -0.144  -0.441  0.00  0.00    +0.151 A 
ATOM      9 CL   LIG    1       -3.662  -1.083  -1.567  0.00  0.00    -0.060 Cl
ATOM     10  N   LIG    1       -5.785   0.181  -0.944  0.00  0.00    -0.229 NA
ATOM     11  C   LIG    1       -6.587   0.921  -0.136  0.00  0.00    +0.127 A 
ATOM     12  C   LIG    1       -6.227   1.345   1.134  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.969   0.988   1.613  0.00  0.00    +0.028 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -7.931   1.284  -0.692  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.182   0.774  -1.948  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.409   0.293  -2.401  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.362   1.114  -2.695  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.714   1.985  -0.062  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        0.269  -1.895   0.671  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.398  -0.336  -0.748  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        6.351  -0.714   0.735  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        7.358  -0.685   1.426  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        5.120  -1.077   1.216  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        5.059  -1.329   2.192  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.989  -1.095   0.395  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.118  -0.732  -0.953  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1        2.984  -0.751  -1.764  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        1.741  -1.123  -1.242  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        1.613  -1.481   0.108  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1        2.755  -1.471   0.925  0.00  0.00    +0.032 A 
ATOM     31  N   LIG    1        5.347  -0.347  -1.518  0.00  0.00    -0.245 NA
BRANCH  20  32
ATOM     32  C   LIG    1        7.734   0.086  -1.315  0.00  0.00    +0.061 C 
BRANCH  32  34
ATOM     33  C   LIG    1        7.965   2.305  -0.095  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        7.846   1.603  -1.440  0.00  0.00    +0.003 C 
ENDBRANCH  32  34
ENDBRANCH  20  32
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 6