REMARK  Name = BDB015876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.053   1.875  -0.511  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.258   1.072   0.225  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.026   1.442   0.416  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.524   2.641  -0.097  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.624   3.388  -0.835  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.656   3.034  -1.063  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.257  -0.197  -0.382  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.936   0.236  -0.182  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.449   1.443  -0.728  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.348   2.211  -1.490  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.666   1.797  -1.697  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.117   0.598  -1.146  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.663  -4.472   0.400  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.777  -3.341   0.527  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.926  -3.281   1.566  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.280  -2.128   1.371  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.707  -1.448   0.205  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.682  -2.273  -0.318  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.874   3.118   0.128  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.686   3.685  -0.833  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.869   3.968  -0.212  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.049   4.541  -0.812  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.877   3.658   1.096  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.669   3.123   1.297  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.865   0.596   1.175  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -2.722   0.458   0.624  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.286  -0.686   1.590  0.00  0.00    +0.122 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.274  -1.735   0.461  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.573  -2.351   0.211  0.00  0.00    -0.263 N 
ATOM     30  C   LIG    1       -3.640  -1.684  -0.341  0.00  0.00    +0.403 C 
ATOM     31  O   LIG    1       -3.619  -0.565  -0.826  0.00  0.00    -0.226 OA
ATOM     32  O   LIG    1       -4.774  -2.440  -0.215  0.00  0.00    -0.449 OA
ATOM     33  C   LIG    1       -4.401  -3.706   0.340  0.00  0.00    +0.253 C 
ATOM     34  C   LIG    1       -3.057  -3.456   0.979  0.00  0.00    +0.152 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7