REMARK  Name = BDB007544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.026  -3.011   1.313  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.046  -1.812   1.567  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        1.162  -1.172   2.052  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.107  -0.198   2.316  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.161  -0.973   1.353  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.073   0.365   0.965  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -2.242   1.109   0.770  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.516   0.539   0.924  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.579  -0.797   1.336  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -2.417  -1.555   1.527  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -4.628   1.366   0.779  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -4.451   2.146   0.152  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -5.993   0.838   0.683  0.00  0.00    +0.075 C 
ATOM     14  C   LIG    1       -6.979   1.992   0.868  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -8.415   1.482   0.786  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -8.547   0.297  -0.001  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -7.679   0.287  -1.128  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -6.230   0.157  -0.672  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        2.407  -1.867   2.347  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.177  -2.377   1.111  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.577  -3.568   0.581  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.606  -3.495   0.718  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.319  -1.334  -0.021  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.910  -0.040   0.380  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.831   0.941  -0.723  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        4.858   0.763  -1.821  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.059   0.070  -1.584  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.009  -0.049  -2.608  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.779   0.536  -3.853  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.599   1.238  -4.085  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.297  -0.604  -0.256  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        4.644   1.355  -3.074  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.311  -0.140   0.827  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8