REMARK  Name = BDB021400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.186   0.913   0.475  0.00  0.00    +0.141 C 
ENDROOT
BRANCH   1  12
ATOM      2  C   LIG    1       -3.857  -0.151  -2.719  0.00  0.00    +0.017 C 
ATOM      3  C   LIG    1       -3.523   0.302  -1.281  0.00  0.00    +0.007 C 
ATOM      4  C   LIG    1       -4.214  -0.542  -0.213  0.00  0.00    -0.027 A 
ATOM      5  C   LIG    1       -3.566  -0.780   1.017  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -4.194  -1.537   2.019  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -5.470  -2.060   1.813  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -6.122  -1.817   0.610  0.00  0.00    +0.018 A 
ATOM      9 BR   LIG    1       -7.860  -2.508   0.331  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1       -2.215  -0.217   1.304  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -1.719  -0.335   2.421  0.00  0.00    -0.270 OA
ATOM     12  N   LIG    1       -1.555   0.418   0.258  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1       -5.509  -1.062  -0.394  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.992   0.174  -1.108  0.00  0.00    +0.119 C 
ATOM     15  C   LIG    1       -3.957   1.771  -1.113  0.00  0.00    +0.017 C 
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  C   LIG    1        0.867  -0.219   0.519  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.286   0.311   0.181  0.00  0.00    +0.088 C 
ATOM     18  N   LIG    1        2.696   1.363   1.137  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1        2.825   0.910   2.046  0.00  0.00    +0.123 HD
ATOM     20  C   LIG    1        3.965   1.969   0.725  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1        5.047   0.976   0.376  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.734  -0.359   0.070  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        5.756  -1.253  -0.277  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.079  -0.818  -0.345  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.391   0.510  -0.063  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.381   1.403   0.294  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.310  -0.846   0.183  0.00  0.00    +0.056 C 
ENDBRANCH  16  17
BRANCH  16  28
ATOM     28  O   LIG    1        0.892  -0.857   1.807  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1        0.004  -0.739   2.213  0.00  0.00    +0.210 HD
ENDBRANCH  16  28
ENDBRANCH   1  16
TORSDOF 4