REMARK  Name = BDB004627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.827  -1.541   0.591  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.483  -1.227   1.280  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.651  -0.990   0.535  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.867  -0.694   1.169  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.903  -0.624   2.562  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.746  -0.853   3.312  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.544  -1.152   2.677  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1       -3.988  -0.470   0.339  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -3.818  -0.564  -0.653  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -5.292  -0.243   0.741  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1       -5.728  -0.256   1.884  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -6.256   0.003  -0.363  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -7.555  -0.485  -0.226  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -8.436  -0.240  -1.258  0.00  0.00    +0.130 A 
ATOM     15 CL   LIG    1      -10.050  -0.813  -1.195  0.00  0.00    -0.062 Cl
ATOM     16  N   LIG    1       -8.125   0.442  -2.380  0.00  0.00    -0.244 NA
ATOM     17  C   LIG    1       -6.869   0.924  -2.471  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1       -5.903   0.735  -1.498  0.00  0.00    +0.033 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        1.727  -0.407   0.761  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        1.282   0.460   0.478  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1        6.085   1.385  -0.370  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.136   0.344  -0.457  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        3.917   0.517   0.227  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        2.974  -0.527   0.113  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        3.229  -1.650  -0.574  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        4.414  -1.725  -1.176  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1        3.687   1.689   0.991  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.636   2.699   1.067  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        5.367  -0.786  -1.163  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        5.831   2.548   0.384  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1        7.735   0.239  -1.789  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        8.636   0.196  -2.243  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        7.092  -0.544  -1.862  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        7.416   1.341  -1.054  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        8.214   2.269  -0.967  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6