REMARK  Name = BDB036394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159   0.777   2.756  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.232   0.576   1.894  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.619  -0.633   1.103  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -2.857  -0.216   0.463  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.171   1.102   0.730  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -4.104   1.754   0.306  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.148   1.601   1.656  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.045   2.852   2.233  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.968   3.074   3.088  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.035   2.050   3.345  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.541  -1.077  -0.494  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.033  -1.184  -0.164  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.448  -1.725   0.861  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.906  -0.593  -1.045  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.882  -0.642  -0.793  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.617   0.185  -2.136  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.517   0.702  -2.794  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.160   0.393  -2.473  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.285  -0.737  -1.959  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.854  -0.299   3.035  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1        1.974  -1.277   1.063  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        1.893  -0.300   2.030  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.442   0.543   1.936  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.190  -2.217   0.987  0.00  0.00    -0.270 OA
BRANCH  21  27
ATOM     25  C   LIG    1        5.235  -0.308  -0.651  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.244  -0.437   0.328  0.00  0.00    +0.058 A 
ATOM     27  C   LIG    1        3.054  -1.121   0.050  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        2.871  -1.701  -1.211  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        3.858  -1.574  -2.188  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        5.035  -0.875  -1.911  0.00  0.00    +0.045 A 
BRANCH  25  32
ATOM     31  C   LIG    1        7.396   0.523  -1.193  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        6.341   0.388  -0.248  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  21  27
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5