REMARK  Name = BDB014089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.755  -1.039  -2.333  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.305  -0.057  -1.376  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        3.007  -0.447  -0.128  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.653   0.690   0.512  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        2.511   0.761   1.982  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        2.251  -0.365   2.738  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        2.169  -0.129   3.718  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        1.630  -1.601   2.309  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1        0.130  -1.406   2.119  0.00  0.00    +0.022 C 
ATOM     10  C   LIG    1       -0.567  -2.622   1.521  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -0.179  -2.858   0.059  0.00  0.00    +0.231 C 
ATOM     12  O   LIG    1       -1.334  -3.284  -0.689  0.00  0.00    -0.475 OA
ATOM     13  C   LIG    1       -2.196  -2.303  -1.060  0.00  0.00    +0.233 A 
ATOM     14  N   LIG    1       -1.970  -1.046  -0.884  0.00  0.00    -0.130 NA
ATOM     15  N   LIG    1       -2.972  -0.171  -1.268  0.00  0.00    -0.222 N 
ATOM     16  C   LIG    1       -2.676   1.258  -1.217  0.00  0.00    +0.182 C 
ATOM     17  C   LIG    1       -1.842   1.721  -0.041  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1       -0.603   2.344  -0.256  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        0.125   2.878   0.819  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.356   3.663   0.546  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        2.317   3.123  -0.278  0.00  0.00    -0.278 N 
ATOM     22  H   LIG    1        2.878   3.800  -0.778  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        1.403   4.840   0.898  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1       -0.384   2.805   2.115  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -1.599   2.156   2.342  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.324   1.620   1.272  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.132  -0.583  -1.919  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.990   0.169  -2.374  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -4.321  -2.046  -2.065  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -3.385  -2.904  -1.657  0.00  0.00    +0.074 A 
ATOM     31  O   LIG    1        2.665   1.816   2.602  0.00  0.00    -0.268 OA
ATOM     32  C   LIG    1        2.647   1.788  -0.415  0.00  0.00    +0.084 A 
ATOM     33  C   LIG    1        3.157   1.278  -1.585  0.00  0.00    +0.132 A 
ENDROOT
TORSDOF 0