REMARK  Name = BDB061867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.264   1.725   0.065  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.164   2.033  -0.244  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.515   3.332  -0.641  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.828   3.652  -0.985  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.819   2.671  -0.923  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.520   1.373  -0.491  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        0.458   4.335  -0.673  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1        0.214   5.282  -0.929  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1        1.755   4.129  -0.312  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1        2.587   5.031  -0.308  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.193   1.078  -0.146  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.135   2.748   0.055  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.600   0.403   0.328  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.959  -0.273  -0.097  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.949  -0.178   0.383  0.00  0.00    +0.154 C 
ATOM     16  C   LIG    1        3.445  -0.166   1.823  0.00  0.00    +0.038 C 
BRANCH  15  20
ATOM     17  C   LIG    1        4.181  -3.620  -0.777  0.00  0.00    +0.128 C 
ATOM     18  N   LIG    1        4.087  -2.300  -0.204  0.00  0.00    -0.317 N 
ATOM     19  H   LIG    1        4.944  -1.781  -0.064  0.00  0.00    +0.148 HD
ATOM     20  C   LIG    1        2.882  -1.628  -0.169  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1        1.826  -2.121  -0.571  0.00  0.00    -0.274 OA
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   6  22
ATOM     22  N   LIG    1       -3.548   0.408  -0.479  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -4.468   0.820  -0.335  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.510  -1.007  -0.509  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -4.498  -1.778   0.133  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1       -4.372  -3.161   0.106  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1       -5.509  -4.225   0.844  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1       -3.359  -3.826  -0.493  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1       -2.421  -3.074  -1.098  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1       -2.457  -1.690  -1.133  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -5.601  -1.158   0.794  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -6.486  -0.602   1.299  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6