REMARK  Name = BDB037085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.873   0.905   0.207  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        2.218   1.742   1.097  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        2.707   2.514   1.899  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.780   1.524   0.907  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.290   2.092   1.589  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.583   1.700   1.224  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.742   0.770   0.193  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.990   0.147  -0.351  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -4.121   1.139  -0.648  0.00  0.00    +0.030 C 
ATOM     10  C   LIG    1       -5.323   0.441  -1.294  0.00  0.00    +0.082 C 
ATOM     11  N   LIG    1       -5.476  -0.957  -0.889  0.00  0.00    -0.316 NA
ATOM     12  H   LIG    1       -6.454  -1.234  -0.982  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -5.013  -1.190   0.473  0.00  0.00    +0.082 C 
ATOM     14  C   LIG    1       -3.500  -0.975   0.585  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.385  -0.440  -1.654  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -0.964  -0.660  -1.454  0.00  0.00    -0.490 OA
ATOM     17  C   LIG    1       -0.643   0.233  -0.474  0.00  0.00    +0.130 A 
ATOM     18  C   LIG    1        0.625   0.595  -0.118  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        1.943   0.183  -0.661  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        5.486  -3.082   0.054  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        5.244  -1.879   0.096  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        5.289  -1.113  -1.042  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        5.526  -1.610  -1.890  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        4.800   0.160  -1.214  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        4.638   0.610  -2.347  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        4.327   0.893   0.049  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        5.040   0.314   1.276  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        4.812  -1.186   1.365  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1