REMARK  Name = BDB000966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.054   0.699  -0.501  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1        1.684   1.807  -1.010  0.00  0.00    -0.342 N 
ATOM      3  H   LIG    1        1.241   2.541  -1.544  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.011   1.744  -0.667  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1        3.135   0.551   0.044  0.00  0.00    +0.101 A 
ATOM      6  C   LIG    1        4.404   0.194   0.540  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        5.500   1.045   0.309  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        5.328   2.229  -0.406  0.00  0.00    +0.044 A 
ATOM      9 CL   LIG    1        6.687   3.254  -0.676  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        4.081   2.610  -0.914  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1        1.908  -0.061   0.152  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -3.038  -0.399  -0.532  0.00  0.00    -0.300 NA
ATOM     13  C   LIG    1       -2.414  -0.180   0.772  0.00  0.00    +0.085 C 
ATOM     14  C   LIG    1       -1.185   0.722   0.613  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -0.410   0.451  -0.688  0.00  0.00    +0.057 C 
ATOM     16  C   LIG    1       -0.675  -0.972  -1.183  0.00  0.00    +0.026 C 
ATOM     17  C   LIG    1       -2.174  -1.198  -1.418  0.00  0.00    +0.085 C 
BRANCH  12  19
ATOM     18  C   LIG    1       -4.640  -2.119   0.426  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -4.420  -0.914  -0.496  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1       -5.391   0.215  -0.129  0.00  0.00    +0.024 C 
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   6  21
ATOM     21  C   LIG    1        4.593  -1.070   1.274  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        4.146  -2.139   0.886  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        5.331  -0.987   2.426  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        5.483  -0.104   2.893  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        5.343  -1.825   2.994  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 3