REMARK  Name = BDB002635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.404   1.355   2.271  0.00  0.00    -0.296 N 
ATOM      2  C   LIG    1        0.070   0.140   1.792  0.00  0.00    +0.217 C 
ATOM      3  O   LIG    1       -0.647  -0.864   1.789  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1        0.221   2.639   1.978  0.00  0.00    +0.132 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -1.791   1.405   2.744  0.00  0.00    +0.203 C 
BRANCH   5   8
ATOM      6  N   LIG    1       -2.948   0.519   0.804  0.00  0.00    -0.284 N 
ATOM      7  H   LIG    1       -2.354  -0.272   1.052  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.775   1.645   1.591  0.00  0.00    +0.235 C 
ATOM      9  O   LIG    1       -3.285   2.751   1.429  0.00  0.00    -0.274 OA
BRANCH   6  13
ATOM     10  C   LIG    1       -6.366   2.284  -2.361  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.466   1.178  -1.896  0.00  0.00    -0.049 A 
ATOM     12  C   LIG    1       -4.647   1.361  -0.771  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -3.773   0.358  -0.332  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -3.718  -0.859  -1.044  0.00  0.00    -0.029 A 
ATOM     15  C   LIG    1       -2.803  -1.988  -0.647  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.528  -1.030  -2.180  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.389  -0.020  -2.605  0.00  0.00    +0.004 A 
ENDBRANCH   6  13
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.485   0.108   1.254  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.882  -1.306   0.840  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1        3.238  -1.348   0.323  0.00  0.00    -0.234 N 
ATOM     21  C   LIG    1        4.352  -1.483   1.106  0.00  0.00    +0.254 C 
ATOM     22  O   LIG    1        4.430  -1.601   2.313  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        5.502  -1.424   0.205  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.020  -1.214  -1.074  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        5.861  -1.097  -2.163  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        7.235  -1.205  -1.922  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        7.726  -1.420  -0.617  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.853  -1.531   0.470  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        3.562  -1.139  -0.990  0.00  0.00    +0.254 C 
ATOM     30  O   LIG    1        2.831  -0.904  -1.933  0.00  0.00    -0.270 OA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6