REMARK  Name = BDB021002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159   0.589  -0.720  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.158   0.523  -0.231  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.158  -0.141  -0.973  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.547  -0.424  -0.836  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.013  -1.166  -1.850  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        2.948  -1.319  -2.654  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        3.089  -2.064  -3.882  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        1.799  -0.732  -2.184  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        0.500  -0.668  -2.705  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.468   0.011  -1.955  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -6.632  -1.599   1.047  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.263  -1.527   0.421  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.567  -0.328   0.540  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.280  -0.264  -0.153  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.472   0.900   0.298  0.00  0.00    +0.065 A 
ATOM     16  N   LIG    1       -2.971   1.873   1.136  0.00  0.00    -0.315 N 
ATOM     17  C   LIG    1       -1.968   2.752   1.391  0.00  0.00    +0.204 A 
ATOM     18  N   LIG    1       -0.860   2.436   0.772  0.00  0.00    -0.217 NA
ATOM     19 CL   LIG    1       -2.186   4.079   2.429  0.00  0.00    -0.043 Cl
ATOM     20  C   LIG    1       -4.311   1.852   1.677  0.00  0.00    +0.143 C 
ATOM     21  C   LIG    1       -1.158   1.285   0.074  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1       -5.215   0.952   0.843  0.00  0.00    +0.130 C 
ATOM     23  O   LIG    1       -4.796  -2.507  -0.160  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
BRANCH   4  24
ATOM     24  C   LIG    1        4.421  -0.011   0.258  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.608  -0.591   0.649  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.065   0.151   1.695  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.276  -0.063   2.447  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.263   1.186   2.011  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.268   1.091   1.120  0.00  0.00    +0.144 A 
ENDBRANCH   4  24
TORSDOF 2