REMARK  Name = BDB034997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.440  -4.154   2.319  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        1.404  -3.102   1.831  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        0.935  -1.784   1.757  0.00  0.00    -0.266 N 
ATOM      4  O   LIG    1        2.555  -3.426   1.531  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.786  -0.798   1.136  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        2.272  -0.960  -0.186  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1        3.135   0.011  -0.777  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.480   1.158  -0.022  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1        4.324   2.137  -0.571  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        4.835   2.005  -1.861  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.507   0.890  -2.619  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.970   1.319   1.271  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.669  -0.092  -2.087  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        2.133   0.359   1.842  0.00  0.00    +0.025 A 
BRANCH   6  15
ATOM     15  C   LIG    1        1.798  -2.055  -0.993  0.00  0.00    +0.102 C 
ATOM     16  N   LIG    1        1.380  -2.908  -1.662  0.00  0.00    -0.191 NA
ENDBRANCH   6  15
ENDBRANCH   3   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.225  -1.317   2.534  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.162  -0.441   1.747  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -1.738  -0.870   0.546  0.00  0.00    +0.036 A 
ATOM     20  C   LIG    1       -2.608  -0.062  -0.170  0.00  0.00    +0.092 A 
ATOM     21  C   LIG    1       -2.893   1.209   0.372  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1       -3.770   2.009  -0.360  0.00  0.00    -0.020 A 
ATOM     23  C   LIG    1       -4.310   1.532  -1.561  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -3.956   0.271  -2.004  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1       -4.145   3.376   0.139  0.00  0.00    +0.046 C 
ATOM     26  N   LIG    1       -2.359   1.643   1.538  0.00  0.00    -0.253 NA
ATOM     27  N   LIG    1       -3.125  -0.527  -1.323  0.00  0.00    -0.231 NA
ATOM     28  C   LIG    1       -1.516   0.820   2.197  0.00  0.00    +0.116 A 
BRANCH  24  29
ATOM     29  N   LIG    1       -4.489  -0.244  -3.181  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -4.332   0.374  -3.968  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -4.060  -1.155  -3.329  0.00  0.00    +0.144 HD
ENDBRANCH  24  29
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5