REMARK  Name = BDB051946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.592   1.061  -0.219  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.181  -0.074  -0.379  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.325  -0.922  -0.597  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.176   2.209  -0.123  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -6.711   1.177  -0.993  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -5.366   1.784  -1.204  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -4.239   1.102  -0.685  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -4.128  -0.122  -0.004  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.767  -0.312   0.309  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.388  -1.450   1.062  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.339  -2.394   1.448  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.667  -2.219   1.102  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.030   0.784  -0.233  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -5.079  -1.092   0.384  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -2.960   1.627  -0.797  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -5.199   2.841  -1.805  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        1.588  -0.172  -0.372  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        2.448   0.897  -0.097  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.852   0.759  -0.092  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        4.365  -0.518  -0.376  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1        3.523  -1.603  -0.650  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        2.136  -1.427  -0.647  0.00  0.00    +0.038 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.724   1.964   0.213  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        6.003   1.824   1.003  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        6.062   2.157  -0.461  0.00  0.00    +0.009 C 
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  C   LIG    1        4.145  -2.918  -0.938  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        5.339  -3.154  -0.965  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        3.239  -3.883  -1.177  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        3.789  -4.676  -1.351  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH   2  17
TORSDOF 5