REMARK  Name = BDB012927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.402   0.501   1.144  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.383  -0.189   0.504  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.008   0.093   0.839  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.826  -0.787  -0.119  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.922  -0.836  -1.351  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.474  -0.923  -0.751  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.151   1.384   1.961  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.945   0.099   0.384  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.533  -1.171   0.281  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.230  -1.114   0.599  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.716  -1.985   0.666  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.758   0.150   0.808  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.875   0.958   0.728  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.823   0.167  -1.281  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.380   0.476   0.151  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.315  -0.193   1.160  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.149  -0.278  -0.426  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.463  -0.312  -1.387  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.114  -0.219   0.561  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.893  -0.513   1.730  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.480   0.184   0.128  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        5.691   1.018  -0.978  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        6.991   1.371  -1.348  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        8.080   0.901  -0.613  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.873   0.084   0.498  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.576  -0.270   0.872  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4