REMARK  Name = BDB008641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.988  -1.269   0.224  0.00  0.00    -0.345 N 
ATOM      2  C   LIG    1        2.654  -1.392   0.556  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.549  -1.154   1.930  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        1.284  -1.205   2.520  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1        0.183  -1.468   1.774  0.00  0.00    -0.257 NA
ATOM      6  C   LIG    1        0.296  -1.697   0.436  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        3.863  -0.906   2.409  0.00  0.00    +0.068 A 
ATOM      8 CL   LIG    1        4.283  -0.569   4.020  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        1.527  -1.683  -0.222  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        4.727  -0.986   1.344  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.020  -1.969  -0.299  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1       -0.907  -2.480  -1.743  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.986  -0.845  -0.216  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -3.326  -1.189  -0.020  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.717  -2.358  -0.144  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.338  -0.124   0.463  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.394   1.089  -0.287  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -4.798   2.224   0.490  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -5.777   1.857   1.612  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.175   0.952   2.604  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -5.909   0.368   3.007  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.142   0.096   1.981  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.494   0.516  -0.236  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -0.391   1.002  -1.153  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.795   1.439  -1.394  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   1  26
ATOM     26  C   LIG    1        4.551  -1.424  -1.108  0.00  0.00    +0.124 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.270  -0.245  -2.035  0.00  0.00    +0.049 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.883   1.063  -1.540  0.00  0.00    +0.161 C 
BRANCH  28  30
ATOM     29  C   LIG    1        3.487   2.734  -2.500  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        4.753   2.085  -2.529  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8