REMARK  Name = BDB034652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.285  -0.767   0.594  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.165  -0.339  -0.145  0.00  0.00    +0.146 A 
ATOM      3  N   LIG    1       -0.726  -1.182  -0.726  0.00  0.00    -0.248 NA
ATOM      4  C   LIG    1       -0.519  -2.506  -0.531  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1        0.514  -3.071   0.219  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        1.411  -2.150   0.788  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.032   1.123  -0.407  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1       -1.308   1.718  -0.440  0.00  0.00    -0.292 N 
ATOM      9  O   LIG    1        0.992   1.794  -0.594  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1       -2.545   1.189   0.192  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1       -3.433   0.388  -0.771  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -4.509  -0.450  -0.052  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -4.806   0.111   1.349  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1       -3.645   0.185   2.238  0.00  0.00    -0.314 NA
ATOM     15  H   LIG    1       -3.828   0.847   2.991  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -2.380   0.502   1.565  0.00  0.00    +0.103 C 
BRANCH  12  17
ATOM     17  C   LIG    1       -4.143  -1.940  -0.013  0.00  0.00    +0.160 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -5.273  -2.723   0.362  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1       -5.945  -2.619  -0.332  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   8  10
BRANCH   8  20
ATOM     20  C   LIG    1       -1.362   3.098  -0.945  0.00  0.00    +0.111 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.028   3.238  -2.446  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -0.986   4.720  -2.828  0.00  0.00    +0.009 C 
ATOM     23  C   LIG    1       -2.035   2.503  -3.330  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
ENDBRANCH   8  20
ENDBRANCH   2   7
BRANCH   5  24
ATOM     24  C   LIG    1        0.618  -4.574   0.382  0.00  0.00    +0.021 C 
ATOM     25  C   LIG    1        1.095  -5.189   1.676  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        1.960  -5.264   0.450  0.00  0.00    +0.009 C 
ENDBRANCH   5  24
BRANCH   1  27
ATOM     27  N   LIG    1        2.182   0.147   1.213  0.00  0.00    -0.339 N 
ATOM     28  H   LIG    1        2.146   1.046   0.711  0.00  0.00    +0.146 HD
BRANCH  27  31
ATOM     29  C   LIG    1        4.946   1.120   0.819  0.00  0.00    +0.121 C 
ATOM     30  C   LIG    1        4.247   1.088   2.197  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1        3.480  -0.169   1.743  0.00  0.00    +0.075 C 
ATOM     32  C   LIG    1        4.550  -0.366   0.652  0.00  0.00    +0.054 C 
BRANCH  29  34
ATOM     33  C   LIG    1        7.012   1.418  -0.412  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        6.360   1.407   0.850  0.00  0.00    -0.380 OA
ENDBRANCH  29  34
ENDBRANCH  27  31
ENDBRANCH   1  27
TORSDOF 10