REMARK  Name = BDB034654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.620  -0.707  -0.965  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.590  -0.069  -1.310  0.00  0.00    +0.267 C 
ATOM      3  O   LIG    1        0.887   0.185  -2.483  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1       -3.242  -1.461   1.049  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.835  -0.883   1.249  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.783  -1.476   0.300  0.00  0.00    +0.091 C 
ATOM      7  C   LIG    1       -0.956  -3.007   0.098  0.00  0.00    +0.103 C 
ATOM      8  N   LIG    1       -2.338  -3.461  -0.102  0.00  0.00    -0.313 NA
ATOM      9  H   LIG    1       -2.353  -4.482  -0.133  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -3.206  -2.994   0.983  0.00  0.00    +0.094 C 
BRANCH   4  14
ATOM     11  C   LIG    1       -6.663   1.239   3.141  0.00  0.00    +0.111 C 
ATOM     12  C   LIG    1       -5.643   0.182   3.057  0.00  0.00    +0.214 A 
ATOM     13  O   LIG    1       -4.995   0.032   1.861  0.00  0.00    -0.425 OA
ATOM     14  C   LIG    1       -4.146  -1.006   2.139  0.00  0.00    +0.222 A 
ATOM     15  N   LIG    1       -4.260  -1.442   3.376  0.00  0.00    -0.112 NA
ATOM     16  N   LIG    1       -5.235  -0.671   3.972  0.00  0.00    -0.113 NA
ENDBRANCH   4  14
ENDBRANCH   1   6
BRANCH   2  17
ATOM     17  C   LIG    1        1.561   0.361  -0.245  0.00  0.00    +0.146 A 
ATOM     18  C   LIG    1        2.941   0.381  -0.520  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        3.775   0.804   0.526  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.266   1.254   1.758  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1        1.875   1.226   1.873  0.00  0.00    +0.115 A 
ATOM     22  N   LIG    1        1.014   0.798   0.922  0.00  0.00    -0.248 NA
BRANCH  20  23
ATOM     23  C   LIG    1        4.126   1.741   2.908  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1        5.462   1.105   3.209  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        5.406   2.503   2.662  0.00  0.00    +0.009 C 
ENDBRANCH  20  23
BRANCH  18  26
ATOM     26  N   LIG    1        3.482  -0.111  -1.740  0.00  0.00    -0.335 N 
ATOM     27  H   LIG    1        2.758  -0.044  -2.475  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.806   0.156  -2.236  0.00  0.00    +0.122 C 
ATOM     29  C   LIG    1        4.982   1.548  -2.856  0.00  0.00    +0.184 C 
ATOM     30  O   LIG    1        5.476   0.974  -4.094  0.00  0.00    -0.376 OA
ATOM     31  C   LIG    1        5.042  -0.344  -3.668  0.00  0.00    +0.184 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH   2  17
BRANCH   1  32
ATOM     32  C   LIG    1       -1.655  -0.776  -2.004  0.00  0.00    +0.111 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -2.572   0.467  -2.043  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -3.809   0.166  -2.894  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -1.870   1.712  -2.588  0.00  0.00    +0.009 C 
ENDBRANCH  32  33
ENDBRANCH   1  32
TORSDOF 8