REMARK  Name = BDB012356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.882   0.692  -0.737  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1        2.213   0.565  -1.146  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1        2.325   0.648  -2.508  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1        1.076   0.797  -2.940  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        0.144   0.831  -1.896  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        3.377   0.365  -0.328  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        3.237   0.263   1.022  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        4.346   0.075   1.765  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        5.616  -0.022   1.234  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        5.751   0.081  -0.149  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        4.621   0.277  -0.946  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.072  -0.012  -0.812  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.280   0.070  -2.008  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.078  -0.204   0.059  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.875  -0.245  -0.511  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1        0.543   0.658   0.559  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.849   0.726   0.879  0.00  0.00    +0.270 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.847  -0.695   0.202  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -1.544  -0.608   0.715  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -0.902  -1.788   1.130  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -1.530  -3.027   0.996  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.806  -3.096   0.445  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -3.575  -4.625   0.259  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -3.466  -1.938   0.041  0.00  0.00    +0.066 A 
BRANCH  18  25
ATOM     25  O   LIG    1       -3.455   0.459  -0.216  0.00  0.00    -0.489 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -4.670   1.990   1.158  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -4.750   0.691   0.363  0.00  0.00    +0.167 C 
ATOM     28  C   LIG    1       -5.761   0.816  -0.771  0.00  0.00    +0.051 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8