REMARK  Name = BDB015851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.050   2.324   0.343  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.265   1.262   0.076  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.053   1.470  -0.122  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.613   2.745  -0.026  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.719   3.764   0.249  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.605   3.589   0.427  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.380   0.512   0.802  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.013   0.768   0.604  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.491   2.079   0.552  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.402   3.138   0.712  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.764   2.904   0.911  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.250   1.598   0.956  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.924  -4.384   0.144  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.117  -3.014   0.552  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.183  -2.692   1.305  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.044  -1.376   1.492  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.893  -0.848   0.861  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.319  -1.947   0.255  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.030   3.020  -0.179  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.561   4.113  -0.835  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.918   3.986  -0.752  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.911   4.884  -1.289  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.312   2.883  -0.093  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.164   2.302   0.265  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.873   0.354  -0.400  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.453   0.573  -1.208  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.166  -0.914  -0.561  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.179  -2.050  -0.795  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.049  -2.327   0.446  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -2.467  -3.459   1.281  0.00  0.00    +0.160 C 
ATOM     31  O   LIG    1       -2.370  -4.691   0.564  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -2.226  -4.565  -0.850  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1       -1.440  -3.324  -1.240  0.00  0.00    +0.033 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6