REMARK  Name = BDB051963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.188  -0.561  -1.054  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1        0.649  -0.680   0.032  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.328  -0.324   0.922  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.187  -0.731  -2.208  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -5.840   1.894  -0.993  0.00  0.00    +0.113 C 
ATOM      6  C   LIG    1       -4.509   1.720  -1.641  0.00  0.00    +0.229 C 
ATOM      7  N   LIG    1       -3.548   0.915  -0.983  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1       -3.586   0.252   0.255  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -2.362  -0.429   0.408  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.166  -1.238   1.554  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.149  -1.324   2.539  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.332  -0.621   2.397  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.546  -0.139  -0.727  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -4.569   0.166   1.265  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -2.311   0.654  -1.552  0.00  0.00    +0.108 A 
ATOM     16  O   LIG    1       -4.217   2.244  -2.712  0.00  0.00    -0.273 OA
ENDBRANCH   1  13
BRANCH   2  17
ATOM     17  C   LIG    1        2.050  -1.031  -0.112  0.00  0.00    +0.123 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.885   0.063  -0.792  0.00  0.00    +0.128 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.299  -0.027  -0.473  0.00  0.00    -0.283 N 
ATOM     20  C   LIG    1        5.117  -1.061  -0.921  0.00  0.00    +0.302 C 
ATOM     21  O   LIG    1        4.860  -1.898  -1.766  0.00  0.00    -0.253 OA
ATOM     22  N   LIG    1        6.306  -0.991  -0.209  0.00  0.00    -0.298 N 
ATOM     23  H   LIG    1        7.099  -1.532  -0.525  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        6.352   0.203   0.588  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1        4.889   0.617   0.681  0.00  0.00    +0.128 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4