REMARK  Name = BDB012353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -0.689   0.281  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.280   0.046   0.183  0.00  0.00    +0.223 A 
ATOM      3  N   LIG    1       -0.602   1.367   0.498  0.00  0.00    -0.182 N 
ATOM      4  N   LIG    1       -1.916   1.476   0.857  0.00  0.00    -0.170 NA
ATOM      5  C   LIG    1       -2.411   0.247   0.703  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        0.256   2.518   0.504  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        1.577   2.371   0.210  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        2.356   3.474   0.218  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        1.891   4.738   0.512  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        0.539   4.878   0.818  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -0.295   3.758   0.818  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -0.053   6.194   1.147  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -1.211   6.401   1.456  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        0.840   7.197   1.070  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        0.316   7.992   1.304  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -1.642  -2.146   0.003  0.00  0.00    +0.057 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.629  -2.440  -1.145  0.00  0.00    +0.088 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.834  -2.134  -2.072  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -4.042  -2.134  -0.838  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1       -4.615  -3.089   0.116  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   2  21
ATOM     21  O   LIG    1        0.938  -0.350  -0.200  0.00  0.00    -0.471 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.738  -0.850   0.875  0.00  0.00    +0.266 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.997  -1.450   0.298  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        3.233  -2.832   0.367  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.399  -3.375  -0.175  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        5.324  -2.538  -0.791  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        6.438  -3.063  -1.319  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        5.106  -1.168  -0.876  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        3.944  -0.623  -0.331  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9