REMARK  Name = BDB012350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.968   1.700   0.740  0.00  0.00    -0.471 OA
ENDROOT
BRANCH   1   3
ATOM      2  N   LIG    1        1.714   0.532  -1.202  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1        0.714   1.161  -0.459  0.00  0.00    +0.220 A 
ATOM      4  C   LIG    1       -0.427   1.093  -1.232  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -0.051   0.415  -2.398  0.00  0.00    +0.138 A 
ATOM      6  N   LIG    1        1.232   0.064  -2.397  0.00  0.00    -0.170 NA
BRANCH   2   9
ATOM      7  C   LIG    1        5.250  -0.543  -1.403  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        3.922  -0.312  -1.764  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.087   0.315  -0.841  0.00  0.00    +0.158 A 
ATOM     10  N   LIG    1        3.534   0.713   0.380  0.00  0.00    -0.236 NA
ATOM     11  C   LIG    1        4.831   0.500   0.686  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        5.723  -0.118  -0.164  0.00  0.00    +0.035 A 
BRANCH   7  14
ATOM     13  O   LIG    1        7.381  -0.891  -2.379  0.00  0.00    -0.245 OA
ATOM     14  C   LIG    1        6.204  -1.200  -2.324  0.00  0.00    +0.337 C 
BRANCH  14  15
ATOM     15  O   LIG    1        5.661  -2.198  -3.050  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.751  -2.452  -2.806  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.137   1.869   1.630  0.00  0.00    +0.270 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.359   0.615   2.447  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1       -1.523  -0.163   2.322  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -1.691  -1.297   3.124  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -0.687  -1.676   4.016  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -0.899  -3.079   4.991  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        0.484  -0.934   4.125  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.646   0.209   3.344  0.00  0.00    +0.012 A 
BRANCH  19  25
ATOM     25  O   LIG    1       -2.454   0.272   1.416  0.00  0.00    -0.487 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -3.334  -0.719   0.879  0.00  0.00    +0.264 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.929  -0.181  -0.400  0.00  0.00    -0.010 A 
ATOM     28  C   LIG    1       -3.767  -0.870  -1.611  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.317  -0.368  -2.791  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.036   0.826  -2.774  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.205   1.519  -1.577  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.658   1.018  -0.395  0.00  0.00    +0.007 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9