REMARK  Name = BDB038978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.270   0.399  -0.925  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.050  -0.111  -1.335  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.850   0.535  -0.817  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.574  -0.234  -1.050  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.550  -1.433  -1.802  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.349  -2.128  -2.006  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.137  -1.659  -1.493  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.173  -0.471  -0.754  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.795   0.253  -0.079  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.212   1.422   0.374  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1        1.092   1.381   0.165  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.839  -1.996  -2.348  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.347   0.240  -0.546  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.896  -0.913  -2.542  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.398   1.247  -0.050  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.893   2.628   0.974  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1       -1.577   2.374   2.322  0.00  0.00    +0.171 C 
ATOM     18  O   LIG    1       -2.990   2.251   2.151  0.00  0.00    -0.379 OA
ATOM     19  C   LIG    1       -3.607   3.474   1.745  0.00  0.00    +0.160 C 
ATOM     20  C   LIG    1       -2.793   4.240   0.702  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -1.824   3.323  -0.032  0.00  0.00    +0.016 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.595   0.350  -1.195  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.319  -0.147  -1.599  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.165  -0.203   0.091  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.301  -1.473   0.952  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.701  -2.059   0.786  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -3.867  -3.322   0.196  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.143  -3.858   0.008  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.268  -3.140   0.406  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.120  -1.887   0.995  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.846  -1.348   1.183  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  C   LIG    1       -1.925  -1.210   2.407  0.00  0.00    +0.314 C 
ATOM     33  O   LIG    1       -2.711  -1.002   3.319  0.00  0.00    -0.250 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -0.588  -1.222   2.636  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -0.008  -1.376   1.864  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7