REMARK  Name = BDB023894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.536   4.672   0.505  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.125   3.433   1.120  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.717   3.115   1.871  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.789   3.207   1.342  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.495   1.994   1.941  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -2.079   1.677   2.185  0.00  0.00    +0.165 C 
ATOM      7  C   LIG    1       -1.736   0.438   1.432  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -2.646  -0.410   0.821  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -1.869  -1.395   0.181  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1       -0.574  -1.190   0.408  0.00  0.00    -0.151 NA
ATOM     11  C   LIG    1       -4.115  -0.177   0.906  0.00  0.00    +0.059 C 
ATOM     12  N   LIG    1       -0.480  -0.056   1.141  0.00  0.00    -0.232 N 
ATOM     13  C   LIG    1       -4.418   0.843   2.020  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -2.932   4.029   1.031  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.807   0.409   1.555  0.00  0.00    +0.075 A 
ATOM     16  C   LIG    1        1.967   0.236   0.724  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        3.217   0.679   1.217  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        4.377   0.541   0.440  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.296  -0.020  -0.827  0.00  0.00    +0.075 A 
ATOM     20  N   LIG    1        3.126  -0.435  -1.350  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        3.304   1.273   2.484  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.175   1.435   3.279  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.014  -0.297  -0.582  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1        0.934   1.004   2.822  0.00  0.00    +0.028 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.453  -0.197  -1.687  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.755   0.180  -1.422  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        7.490  -0.187  -2.514  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        8.908  -0.006  -2.709  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        6.764  -0.779  -3.477  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.525  -0.781  -2.974  0.00  0.00    +0.144 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  N   LIG    1       -2.356  -2.438  -0.540  0.00  0.00    -0.309 N 
ATOM     32  C   LIG    1       -1.438  -3.541  -0.882  0.00  0.00    +0.134 C 
ATOM     33  C   LIG    1       -2.236  -4.709  -1.479  0.00  0.00    +0.178 C 
ATOM     34  O   LIG    1       -2.961  -4.377  -2.674  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1       -3.191  -2.969  -2.819  0.00  0.00    +0.178 C 
ATOM     36  C   LIG    1       -3.469  -2.254  -1.486  0.00  0.00    +0.134 C 
ENDBRANCH   9  31
TORSDOF 3