REMARK  Name = BDB022368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.610   0.109   0.674  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -0.718   0.288   0.255  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -1.188   1.502  -0.293  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.612   1.683  -0.693  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.928   2.812  -1.342  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1       -1.974   3.908  -1.605  0.00  0.00    +0.253 A 
ATOM      7  N   LIG    1       -0.687   3.755  -1.123  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.262   4.835  -1.346  0.00  0.00    +0.152 C 
ATOM      9  O   LIG    1       -2.382   4.898  -2.212  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -0.267   2.550  -0.484  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        1.060   2.377  -0.064  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.488   1.175   0.510  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.991  -1.151   1.172  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        0.242  -1.619   1.678  0.00  0.00    +0.152 HD
BRANCH  13  20
ATOM     15  C   LIG    1        4.601  -2.053   0.793  0.00  0.00    +0.129 A 
ATOM     16  N   LIG    1        4.742  -3.001   1.754  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1        3.664  -3.313   2.509  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        2.419  -2.732   2.357  0.00  0.00    +0.080 A 
ATOM     19 CL   LIG    1        1.120  -3.219   3.382  0.00  0.00    -0.080 Cl
ATOM     20  C   LIG    1        2.248  -1.768   1.358  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        3.362  -1.453   0.565  0.00  0.00    +0.068 A 
BRANCH  15  24
ATOM     22  C   LIG    1        7.134  -0.397  -1.548  0.00  0.00    +0.110 C 
ATOM     23  C   LIG    1        5.890  -0.554  -0.704  0.00  0.00    +0.217 C 
ATOM     24  N   LIG    1        5.767  -1.744   0.016  0.00  0.00    -0.259 N 
ATOM     25  C   LIG    1        6.890  -2.665   0.211  0.00  0.00    +0.140 C 
ATOM     26  O   LIG    1        5.080   0.374  -0.689  0.00  0.00    -0.276 OA
ENDBRANCH  15  24
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   4  27
ATOM     27  N   LIG    1       -3.522   0.686  -0.376  0.00  0.00    -0.334 N 
ATOM     28  H   LIG    1       -3.261   0.082   0.401  0.00  0.00    +0.147 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -4.985   0.699  -0.535  0.00  0.00    +0.135 C 
ATOM     30  C   LIG    1       -5.626   1.607   0.514  0.00  0.00    +0.036 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -5.548  -0.717  -0.366  0.00  0.00    +0.149 A 
ATOM     32  N   LIG    1       -4.974  -1.519   0.566  0.00  0.00    -0.238 NA
ATOM     33  C   LIG    1       -5.504  -2.748   0.705  0.00  0.00    +0.114 A 
ATOM     34  C   LIG    1       -6.574  -3.202  -0.028  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1       -7.094  -2.311  -0.936  0.00  0.00    +0.114 A 
ATOM     36  N   LIG    1       -6.610  -1.069  -1.122  0.00  0.00    -0.238 NA
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 6