REMARK  Name = BDB055650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.672  -0.041   0.050  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -2.599  -0.943   0.177  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.314  -0.449   0.105  0.00  0.00    +0.043 A 
ATOM      4  N   LIG    1       -0.114  -1.124   0.260  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        0.020  -2.130   0.207  0.00  0.00    +0.152 HD
ATOM      6  C   LIG    1        0.962  -0.257   0.101  0.00  0.00    +0.092 C 
ATOM      7  C   LIG    1        0.362   1.129  -0.058  0.00  0.00    +0.210 C 
ATOM      8  O   LIG    1        0.901   2.208  -0.176  0.00  0.00    -0.285 OA
ATOM      9  C   LIG    1        2.265  -0.578   0.064  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1        3.527   0.166  -0.086  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.549  -0.795  -0.040  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        5.891  -0.464  -0.149  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        6.226   0.878  -0.309  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.216   1.852  -0.355  0.00  0.00    +0.002 A 
ATOM     15 BR   LIG    1        7.247  -1.776  -0.087  0.00  0.00    -0.048 Br
ATOM     16  N   LIG    1        4.012  -2.072   0.123  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1        4.551  -2.924   0.176  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        3.863   1.499  -0.243  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.636  -2.037   0.189  0.00  0.00    +0.251 C 
ATOM     20  O   LIG    1        1.884  -2.988   0.306  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -1.099   0.923  -0.053  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1       -2.123   1.840  -0.180  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1       -3.428   1.344  -0.130  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1       -5.052  -0.597   0.118  0.00  0.00    +0.339 C 
ATOM     25  O   LIG    1       -5.291  -1.785   0.265  0.00  0.00    -0.245 OA
BRANCH  24  27
ATOM     26  C   LIG    1       -7.326  -0.070   0.052  0.00  0.00    +0.280 C 
ATOM     27  O   LIG    1       -5.974   0.390  -0.005  0.00  0.00    -0.464 OA
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 2