REMARK  Name = BDB036412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.781  -0.778   2.784  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.391  -0.483   2.093  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -0.664   0.587   1.085  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -2.078   0.396   0.780  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.591  -0.740   1.391  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.681  -1.258   1.235  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.534  -1.265   2.268  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.577  -2.352   3.120  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.409  -2.662   3.819  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.756  -1.887   3.652  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.685   1.043  -0.381  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -2.471   0.203  -1.651  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -1.495  -0.533  -1.826  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -3.392   0.392  -2.660  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.216  -0.125  -3.509  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.440   1.278  -2.693  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.096   1.440  -3.716  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.670   2.102  -1.447  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.168   1.378  -0.205  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        2.039   0.027   2.599  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1        2.751   0.804   0.368  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        2.615  -0.213   1.294  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        2.744  -1.184   1.028  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        2.414   1.968   0.590  0.00  0.00    -0.270 OA
BRANCH  21  27
ATOM     25  C   LIG    1        4.547  -1.003  -2.474  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        4.068  -0.714  -1.189  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        3.292   0.434  -0.972  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        3.032   1.304  -2.043  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        3.509   1.015  -3.323  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.256  -0.144  -3.540  0.00  0.00    +0.019 A 
BRANCH  25  32
ATOM     31  N   LIG    1        6.015  -3.101  -2.874  0.00  0.00    -0.191 NA
ATOM     32  C   LIG    1        5.352  -2.169  -2.697  0.00  0.00    +0.099 C 
ENDBRANCH  25  32
ENDBRANCH  21  27
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5