REMARK  Name = BDB036964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.082   0.600   0.236  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        2.729   0.942   0.239  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.752  -0.058   0.153  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        2.099  -1.406   0.101  0.00  0.00    +0.078 A 
ATOM      5  N   LIG    1        1.142  -2.424   0.004  0.00  0.00    -0.237 NA
ATOM      6  C   LIG    1       -0.101  -2.078   0.009  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.568  -0.789   0.124  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        3.449  -1.748   0.156  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.317   0.282   0.126  0.00  0.00    +0.262 A 
ATOM     10  O   LIG    1       -0.032   1.459   0.086  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        4.430  -0.754   0.245  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.010  -0.536   0.078  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -2.404   0.036  -1.288  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.836  -0.267  -2.335  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.528   0.831  -1.309  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.798   1.188  -2.216  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.396   1.091  -0.279  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.444   1.701  -0.472  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -4.044   0.505   1.069  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.540   0.331   1.222  0.00  0.00    +0.044 C 
ENDBRANCH   7  12
BRANCH   1  21
ATOM     21  N   LIG    1        5.057   1.579   0.446  0.00  0.00    -0.358 N 
ATOM     22  H   LIG    1        4.790   2.506   0.127  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1        5.984   1.317   0.124  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2