REMARK  Name = BDB008371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.719   1.261   0.316  0.00  0.00    +0.053 A 
ATOM      2  C   LIG    1       -0.693   1.328   0.245  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.341   2.560   0.292  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -0.595   3.743   0.420  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        0.812   3.696   0.499  0.00  0.00    +0.073 A 
ATOM      6  N   LIG    1        1.562   4.806   0.620  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        0.928   5.998   0.669  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -0.444   6.146   0.601  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.215   4.998   0.474  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        1.437   2.456   0.445  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.175  -0.482  -0.414  0.00  0.00    +0.006 C 
ATOM     12  C   LIG    1        3.148  -0.023  -1.460  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1        1.714  -0.417  -1.128  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1        1.332  -0.004   0.231  0.00  0.00    -0.328 N 
ATOM     15  C   LIG    1        2.244  -0.402   1.307  0.00  0.00    +0.105 C 
ATOM     16  C   LIG    1        3.716  -0.124   1.008  0.00  0.00    +0.023 C 
BRANCH  11  17
ATOM     17  C   LIG    1        4.608  -1.952  -0.585  0.00  0.00    +0.081 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.568  -2.944  -0.353  0.00  0.00    -0.330 NA
ATOM     19  H   LIG    1        3.397  -3.036   0.647  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1        3.910  -3.860  -0.648  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   2  21
ATOM     21  N   LIG    1       -1.352   0.084   0.147  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1       -0.690  -0.684   0.191  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.704  -0.181   0.081  0.00  0.00    +0.253 C 
ATOM     24  O   LIG    1       -3.581   0.675   0.098  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -3.013  -1.603  -0.022  0.00  0.00    +0.101 A 
ATOM     26  C   LIG    1       -4.236  -2.205   0.231  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1       -4.062  -3.573  -0.014  0.00  0.00    -0.221 N 
ATOM     28  C   LIG    1       -5.118  -4.466   0.145  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -6.322  -4.030   0.538  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.410  -2.565   0.782  0.00  0.00    +0.114 A 
ATOM     31  N   LIG    1       -2.797  -3.863  -0.396  0.00  0.00    -0.173 NA
ATOM     32  N   LIG    1       -5.446  -1.707   0.645  0.00  0.00    -0.235 NA
ATOM     33  C   LIG    1       -2.182  -2.681  -0.407  0.00  0.00    +0.150 A 
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 5