REMARK  Name = BDB023926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.034   6.052  -0.457  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -2.752   4.637  -0.489  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -1.950   4.351   0.053  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.795   3.744  -0.422  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.411   2.408  -0.437  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.170   1.991  -1.125  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.876   0.561  -0.841  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.729  -0.225  -1.120  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.887  -1.479  -0.669  0.00  0.00    -0.170 NA
ATOM     10  N   LIG    1       -2.112  -1.498  -0.104  0.00  0.00    -0.264 N 
ATOM     11  C   LIG    1       -2.746  -0.297  -0.204  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.089   0.090   0.292  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.505   1.415  -0.382  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -4.965   4.110  -0.351  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        0.496   0.190  -1.797  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.753   0.196  -1.134  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.895   0.637  -1.835  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.141   0.661  -1.189  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.234   0.256   0.138  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.161  -0.169   0.840  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        2.773   1.050  -3.172  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.538   1.033  -3.818  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        1.967  -0.197   0.197  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        0.404   0.606  -3.135  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.503   0.270   0.848  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.677  -0.153   2.152  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        6.996   0.017   2.443  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.656  -0.289   3.688  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.708   0.529   1.422  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.798   0.678   0.455  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH   8  15
BRANCH  10  31
ATOM     31  C   LIG    1       -2.602  -2.720   0.520  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -2.896  -3.808  -0.516  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -3.370  -5.073   0.183  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -2.419  -5.505   1.152  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -2.199  -4.542   2.181  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -1.652  -3.247   1.601  0.00  0.00    +0.055 C 
ENDBRANCH  10  31
TORSDOF 3