REMARK  Name = BDB022188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.824   0.182   0.145  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        0.058   0.043  -1.128  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.006   1.248  -2.109  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        0.440   1.152  -3.262  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.355   2.490  -1.645  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.272   3.268  -2.287  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.810   2.635  -0.363  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.142   3.788   0.286  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -1.093   5.140  -0.212  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -1.561   3.569   1.550  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.503   2.236   1.694  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -1.916   1.601   2.970  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -1.045   1.608   0.511  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -3.850  -2.097   0.698  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -2.593  -1.493   0.808  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -2.213  -0.423  -0.024  0.00  0.00    -0.034 A 
ATOM     17  C   LIG    1       -3.129   0.017  -0.993  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.384  -0.583  -1.108  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -4.746  -1.636  -0.265  0.00  0.00    +0.045 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -5.322  -3.788   1.487  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -4.074  -3.115   1.583  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  16
BRANCH   2  22
ATOM     22  N   LIG    1        1.492  -0.152  -0.836  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        2.137   0.289  -1.483  0.00  0.00    +0.150 HD
ATOM     24  C   LIG    1        1.930  -1.306  -0.222  0.00  0.00    +0.245 C 
ATOM     25  O   LIG    1        1.170  -2.152   0.234  0.00  0.00    -0.270 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.405  -1.506  -0.166  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        4.300  -0.427  -0.166  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        5.683  -0.652  -0.103  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        6.643   0.501  -0.135  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        6.159  -1.968  -0.059  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        5.270  -3.044  -0.043  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        3.896  -2.814  -0.089  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH   2  22
TORSDOF 4