REMARK  Name = BDB049629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.288  -0.354  -0.125  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.321  -1.312  -0.106  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.530  -0.837   0.356  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.657   0.162   0.292  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.135  -2.465  -0.489  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.699  -1.578   0.629  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -5.876  -0.854   0.858  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -7.066  -1.522   1.149  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -8.506  -0.619   1.423  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -7.100  -2.912   1.222  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.930  -3.637   1.004  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.734  -2.972   0.713  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.948  -0.375   0.026  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.282  -1.679   0.086  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.818  -1.544   0.491  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.032  -0.821  -0.609  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.885   0.242  -1.321  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.102   0.702  -0.514  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.328  -0.376  -0.521  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        5.113  -1.666  -0.223  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.095   0.851   0.049  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.612   0.633   0.394  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.495   1.069  -0.544  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.327   0.831   0.742  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.119   2.002   0.196  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.543   3.002   1.085  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.275   4.100   0.630  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.587   4.217  -0.722  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.163   3.240  -1.619  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.430   2.142  -1.165  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7