REMARK  Name = BDB012306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.252   3.417  -2.089  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        0.018   2.352  -1.085  0.00  0.00    +0.064 A 
ATOM      3  N   LIG    1       -1.141   1.692  -1.067  0.00  0.00    -0.167 NA
ATOM      4  N   LIG    1       -1.018   0.784  -0.050  0.00  0.00    -0.182 N 
ATOM      5  C   LIG    1        0.218   0.900   0.589  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1        0.892   1.902  -0.079  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.087  -0.130   0.243  0.00  0.00    +0.158 A 
ATOM      8  N   LIG    1       -1.942  -1.026   1.256  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1       -2.961  -1.873   1.508  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -4.143  -1.882   0.797  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.284  -0.961  -0.239  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -3.247  -0.071  -0.525  0.00  0.00    +0.063 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.515  -0.893  -1.060  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -5.722  -0.123  -1.978  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.436  -1.801  -0.690  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -7.180  -1.641  -1.308  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   4   7
BRANCH   5  17
ATOM     17  O   LIG    1        0.546   0.113   1.623  0.00  0.00    -0.471 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.817   0.321   2.240  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.961  -0.314   1.481  0.00  0.00    -0.010 A 
ATOM     20  C   LIG    1        4.223   0.298   1.469  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        5.292  -0.294   0.794  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.114  -1.508   0.133  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.869  -2.134   0.150  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.800  -1.543   0.826  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 6