REMARK  Name = BDB015945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.444   1.864  -0.101  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.462   0.878   0.064  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.772   1.201   0.044  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.188   2.511  -0.205  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.177   3.445  -0.341  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.138   3.158  -0.286  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.653  -0.183  -0.252  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.299   0.181  -0.309  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.873   1.500  -0.062  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.864   2.456   0.226  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.216   2.109   0.283  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.608   0.793   0.049  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.898  -4.595   0.049  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.045  -3.502  -0.348  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.160  -3.682  -1.345  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.561  -2.492  -1.450  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.044  -1.555  -0.509  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.011  -2.248   0.189  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.579   2.935  -0.327  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.985   4.133   0.128  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.296   4.182  -0.164  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.059   5.353   0.196  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.754   3.069  -0.798  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.665   2.241  -0.927  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.724   0.193   0.267  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.404   0.544   0.940  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.352  -1.183   0.582  0.00  0.00    +0.073 C 
ATOM     28  C   LIG    1       -1.633  -1.939  -0.536  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1       -0.965  -3.075   0.236  0.00  0.00    +0.052 C 
ATOM     30  C   LIG    1       -0.419  -2.370   1.477  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -1.512  -1.366   1.854  0.00  0.00    +0.024 C 
BRANCH  29  32
ATOM     32  N   LIG    1        0.047  -3.775  -0.535  0.00  0.00    -0.327 NA
ATOM     33  H   LIG    1        0.537  -4.446   0.056  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1        0.767  -3.124  -0.847  0.00  0.00    +0.118 HD
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6