REMARK  Name = BDB021893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.651  -0.539   0.137  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.430  -1.902  -0.130  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.825  -2.350   0.212  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        1.548  -1.646   0.290  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.301  -2.603  -0.640  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.966   0.017  -0.254  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -1.898   1.467  -0.759  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.301   2.038  -0.923  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -4.065   1.997   0.323  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -5.183   2.786   0.565  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -5.751   2.821   1.657  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -5.687   3.629  -0.581  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.580   1.123   1.387  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.029  -0.190   0.843  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        1.316  -3.677   0.188  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        2.698  -3.882   0.358  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1        3.777  -2.545   0.583  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        3.241  -5.170   0.354  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        2.407  -6.273   0.185  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.036  -6.085   0.026  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.492  -4.795   0.030  0.00  0.00    +0.025 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.140   0.188   1.139  0.00  0.00    +0.144 C 
BRANCH  22  26
ATOM     23  C   LIG    1        3.819   2.020  -0.250  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        2.880   1.562  -1.174  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        1.687   0.971  -0.750  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        1.411   0.821   0.615  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.357   1.294   1.538  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.551   1.886   1.111  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.951   3.011   0.101  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        4.941   2.575  -0.800  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5