REMARK  Name = BDB039494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.463  -0.093   0.919  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.739  -0.598   1.989  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.163  -1.089   3.017  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.320  -0.432   1.655  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.236   0.097   0.372  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.999   0.355  -0.196  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -0.178   0.074   0.535  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.046  -0.459   1.846  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.206  -0.720   2.415  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.602   0.290  -0.195  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.505   0.344  -0.064  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.561   1.451  -0.840  0.00  0.00    -0.245 NA
ATOM     13  C   LIG    1       -2.763   1.714  -1.401  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1       -3.884   0.916  -1.212  0.00  0.00    +0.069 A 
ATOM     15  N   LIG    1       -4.908   1.493  -1.931  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1       -5.852   1.125  -1.943  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.464   2.624  -2.565  0.00  0.00    +0.085 A 
ATOM     18  C   LIG    1       -3.858  -0.233  -0.414  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1       -3.131   2.783  -2.252  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.601  -0.503   0.152  0.00  0.00    +0.035 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.018  -1.184  -0.216  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -6.328  -0.517  -0.266  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -7.412  -1.488   0.046  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1       -8.060  -0.383   0.901  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -6.625   0.162   1.027  0.00  0.00    +0.086 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   1  32
ATOM     26  O   LIG    1        9.452  -0.749  -1.255  0.00  0.00    -0.275 OA
ATOM     27  C   LIG    1        8.437  -0.630  -0.576  0.00  0.00    +0.219 C 
ATOM     28  N   LIG    1        7.540  -1.661  -0.456  0.00  0.00    -0.255 N 
ATOM     29  H   LIG    1        7.744  -2.467  -1.032  0.00  0.00    +0.158 HD
ATOM     30  C   LIG    1        6.224  -1.545  -0.071  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1        5.401  -2.390  -0.416  0.00  0.00    -0.273 OA
ATOM     32  C   LIG    1        5.898  -0.310   0.787  0.00  0.00    +0.163 C 
ATOM     33  C   LIG    1        6.621   0.902   0.207  0.00  0.00    +0.041 C 
ATOM     34  C   LIG    1        8.118   0.635   0.186  0.00  0.00    +0.098 C 
ENDBRANCH   1  32
TORSDOF 4