REMARK  Name = BDB036194
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.216   1.022  -2.488  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.085   1.655  -2.824  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.185   1.536  -1.739  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.349   0.129  -1.330  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.100  -0.551  -0.953  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.048  -0.382  -2.078  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.493  -0.115  -0.567  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.635   0.022   0.828  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        2.519   0.470   1.725  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1        4.799  -0.239   1.487  0.00  0.00    -0.245 NA
ATOM     11  C   LIG    1        5.869  -0.635   0.744  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.839  -0.779  -0.629  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.638  -0.513  -1.279  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.136  -0.909   1.499  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.019  -0.769   2.866  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.128  -0.409   3.199  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.148  -0.862   3.751  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.173  -1.219   0.924  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.922   1.796  -1.454  0.00  0.00    +0.122 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.718  -0.330   0.523  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -5.773  -0.387   1.727  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1       -6.163  -0.780   2.816  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1       -4.489   0.028   1.490  0.00  0.00    -0.317 N 
ATOM     24  H   LIG    1       -3.832   0.009   2.260  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.082   0.472   0.226  0.00  0.00    +0.104 A 
ATOM     26  C   LIG    1       -5.009   0.490  -0.822  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1       -4.593   0.933  -2.079  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1       -3.275   1.353  -2.288  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -2.344   1.335  -1.238  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.767   0.891   0.017  0.00  0.00    +0.153 A 
ATOM     31  F   LIG    1       -1.898   0.855   1.041  0.00  0.00    -0.203 F 
ATOM     32  N   LIG    1       -6.343   0.076  -0.656  0.00  0.00    -0.245 NA
BRANCH  20  34
ATOM     33  C   LIG    1       -8.217  -2.312   0.638  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -8.135  -0.801   0.740  0.00  0.00    +0.057 C 
ENDBRANCH  20  34
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5