REMARK  Name = BDB002623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.452   2.008  -1.269  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1       -2.671   1.397  -0.680  0.00  0.00    -0.272 N 
ATOM      3  C   LIG    1       -3.170   0.172  -1.137  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -2.192  -0.736  -1.467  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1       -1.278  -0.561  -1.050  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -4.379  -0.040  -1.190  0.00  0.00    -0.252 OA
ATOM      7  C   LIG    1       -3.650   2.352  -0.161  0.00  0.00    +0.129 C 
ATOM      8  C   LIG    1       -4.081   3.291  -1.281  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -2.932   3.948  -1.875  0.00  0.00    -0.312 N 
ATOM     10  H   LIG    1       -3.083   4.733  -2.498  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1       -1.744   3.292  -2.089  0.00  0.00    +0.234 C 
ATOM     12  O   LIG    1       -0.899   3.804  -2.823  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -2.356  -2.003  -2.061  0.00  0.00    +0.036 A 
ATOM     14  C   LIG    1       -3.548  -2.445  -2.637  0.00  0.00    +0.043 A 
ATOM     15  C   LIG    1       -3.612  -3.714  -3.217  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -5.085  -4.256  -3.928  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.497  -4.549  -3.233  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.302  -4.111  -2.668  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.233  -2.842  -2.088  0.00  0.00    +0.023 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     20  C   LIG    1       -0.403   2.334  -0.199  0.00  0.00    +0.128 C 
BRANCH  20  23
ATOM     21  N   LIG    1        1.430   1.433   1.058  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.507   2.394   1.379  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        0.442   1.123   0.146  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1        0.224   0.019  -0.343  0.00  0.00    -0.275 OA
BRANCH  21  27
ATOM     25  C   LIG    1        3.487  -1.575   1.942  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        2.500  -0.786   1.341  0.00  0.00    +0.072 A 
ATOM     27  C   LIG    1        2.401   0.577   1.628  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        3.308   1.163   2.535  0.00  0.00    +0.141 A 
ATOM     29  C   LIG    1        4.293   0.375   3.134  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1        4.381  -0.990   2.837  0.00  0.00    +0.049 A 
BRANCH  25  32
ATOM     31  C   LIG    1        4.444  -3.743   2.161  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        3.470  -2.892   1.571  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
BRANCH  28  33
ATOM     33  O   LIG    1        3.133   2.511   2.756  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.043   3.142   3.650  0.00  0.00    +0.277 C 
ENDBRANCH  28  33
ENDBRANCH  21  27
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6