REMARK  Name = BDB063638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.124   0.349  -2.213  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.687  -0.025  -1.158  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.239  -0.408  -0.331  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.283   0.546  -3.353  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.049  -0.161  -1.130  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.672  -0.901   0.014  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -1.994  -1.339   0.934  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.050  -0.885  -0.198  0.00  0.00    -0.216 N 
ATOM      9  N   LIG    1       -4.321  -0.205  -1.422  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -5.148  -0.993  -2.357  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -3.072   0.248  -1.897  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -3.040   1.134  -3.102  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.041  -1.028   0.808  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -4.791  -1.791   1.957  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.765  -1.939   2.950  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -7.005  -1.321   2.811  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.269  -0.553   1.682  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.294  -0.408   0.690  0.00  0.00    +0.028 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  22
ATOM     19  C   LIG    1        3.522   0.577  -0.830  0.00  0.00    +0.168 A 
ATOM     20  O   LIG    1        3.704   0.626  -2.179  0.00  0.00    -0.354 OA
ATOM     21  N   LIG    1        2.488   0.551  -2.824  0.00  0.00    -0.073 NA
ATOM     22  C   LIG    1        1.554   0.447  -1.864  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        2.173   0.466  -0.582  0.00  0.00    +0.086 A 
BRANCH  19  27
ATOM     24  C   LIG    1        7.044   0.799   1.610  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        5.781   0.671   2.189  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.631   0.599   1.393  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        4.722   0.653  -0.004  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.997   0.782  -0.575  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        7.148   0.855   0.222  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        9.387   0.987   1.957  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        8.079   0.858   2.500  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 5