REMARK  Name = BDB007291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.543  -0.171   0.522  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -4.225  -0.234   0.093  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -3.504  -1.435   0.085  0.00  0.00    +0.068 A 
ATOM      4  N   LIG    1       -2.170  -1.293  -0.363  0.00  0.00    -0.294 N 
ATOM      5  H   LIG    1       -1.988  -1.952  -1.123  0.00  0.00    +0.187 HD
ATOM      6  N   LIG    1       -2.125   0.063  -0.799  0.00  0.00    -0.248 N 
ATOM      7  C   LIG    1       -4.075  -2.620   0.516  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.397  -2.592   0.951  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.276   0.756  -0.426  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -3.459   1.960  -0.481  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -6.119  -1.386   0.952  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.823   0.719  -0.919  0.00  0.00    +0.111 C 
ATOM     13  C   LIG    1       -0.226   1.040   0.458  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        1.278   1.271   0.340  0.00  0.00    +0.087 C 
ATOM     15  N   LIG    1        2.009   0.074  -0.104  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.201  -0.801  -0.973  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        0.162  -0.054  -1.806  0.00  0.00    +0.042 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.371   0.351  -0.629  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        4.196   1.384   0.185  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1        4.899   0.744   1.375  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        5.931  -0.290   0.921  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        5.659  -0.831  -0.482  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.163  -0.985  -0.739  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   1  27
ATOM     24  N   LIG    1       -5.926   2.252   0.242  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -4.964   2.429  -0.042  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -6.550   3.045   0.286  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -6.422   1.029   0.567  0.00  0.00    +0.242 C 
ATOM     28  O   LIG    1       -7.600   0.928   0.900  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3