REMARK  Name = BDB031572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.040  -0.136   0.420  0.00  0.00    -0.288 N 
ATOM      2  H   LIG    1        0.906  -0.379   1.394  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1       -0.061   0.409  -0.204  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -1.268  -0.094   0.242  0.00  0.00    -0.255 N 
ATOM      5  C   LIG    1       -2.540   0.318  -0.199  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.535  -0.450   0.409  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1       -4.879  -0.234   0.141  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -5.222   0.779  -0.754  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -4.226   1.552  -1.368  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.949  -1.492   1.304  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -2.874   1.323  -1.092  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.452  -1.168   1.234  0.00  0.00    +0.120 C 
ATOM     13  O   LIG    1        0.077   1.246  -1.091  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        6.418  -0.296  -0.441  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        5.224  -0.052  -0.293  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        4.658  -0.042   0.957  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        5.271  -0.325   1.709  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        3.315  -0.059   1.244  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1        2.907  -0.365   2.364  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        2.377   0.352   0.106  0.00  0.00    +0.161 C 
ATOM     21  C   LIG    1        2.901  -0.217  -1.208  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.315   0.287  -1.451  0.00  0.00    +0.098 C 
ENDBRANCH   1  20
TORSDOF 1