REMARK  Name = BDB014709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056   0.318  -0.867  0.00  0.00    +0.121 C 
ATOM      2  N   LIG    1       -0.794   0.664  -2.088  0.00  0.00    -0.285 NA
ATOM      3  H   LIG    1       -1.638   0.751  -2.660  0.00  0.00    +0.188 HD
ENDROOT
BRANCH   1  12
ATOM      4  C   LIG    1       -2.842  -0.933   0.312  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1       -4.256  -1.005   0.862  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -4.953   0.353   0.904  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1       -4.790   1.070  -0.354  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1       -5.756   1.906  -0.900  0.00  0.00    +0.213 C 
ATOM      9  O   LIG    1       -5.502   2.708  -1.798  0.00  0.00    -0.276 OA
ATOM     10  C   LIG    1       -7.160   1.790  -0.363  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1       -3.415   1.279  -0.804  0.00  0.00    +0.147 C 
ATOM     12  C   LIG    1       -2.495   0.146  -0.429  0.00  0.00    +0.026 C 
BRANCH   4  14
ATOM     13  C   LIG    1       -2.401  -3.309   1.058  0.00  0.00    +0.125 C 
ATOM     14  N   LIG    1       -1.978  -1.990   0.616  0.00  0.00    -0.350 N 
ATOM     15  H   LIG    1       -1.203  -2.053  -0.052  0.00  0.00    +0.145 HD
ENDBRANCH   4  14
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  N   LIG    1       -0.071   0.086   0.071  0.00  0.00    -0.298 N 
ATOM     17  H   LIG    1       -0.408  -0.280   0.957  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.325   0.114  -0.056  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1        2.030   0.489  -1.196  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1        3.388   0.522  -1.298  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        4.109   0.176  -0.209  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        3.505  -0.203   0.982  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.109  -0.229   1.052  0.00  0.00    +0.027 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.550   0.231  -0.379  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        6.513  -0.059   0.569  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        7.720   0.133  -0.042  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        9.027  -0.043   0.543  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.620   0.526  -1.322  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.300   0.587  -1.524  0.00  0.00    +0.144 A 
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5