REMARK  Name = BDB051015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.054   0.948  -1.245  0.00  0.00    +0.213 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.437   0.559  -1.102  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1        2.033   0.269   0.097  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1        1.517   0.398   1.199  0.00  0.00    -0.272 OA
ATOM      5  C   LIG    1        3.446  -0.239  -0.201  0.00  0.00    +0.138 C 
ATOM      6  C   LIG    1        4.571   0.515   0.445  0.00  0.00    -0.012 A 
ATOM      7  C   LIG    1        5.553  -0.378   0.899  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        6.714   0.078   1.500  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        6.882   1.455   1.657  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.902   2.352   1.204  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.179  -1.795   0.590  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        4.739   1.885   0.587  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        3.673  -1.670   0.311  0.00  0.00    +0.045 C 
ATOM     14  N   LIG    1        3.478  -0.137  -1.635  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        4.273  -0.326  -2.228  0.00  0.00    +0.152 HD
ATOM     16  C   LIG    1        2.283   0.318  -2.139  0.00  0.00    +0.310 C 
ATOM     17  O   LIG    1        2.062   0.491  -3.326  0.00  0.00    -0.252 OA
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  N   LIG    1       -2.214  -0.125  -1.239  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1       -0.829  -0.310  -1.276  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1       -0.314  -1.430  -1.342  0.00  0.00    -0.274 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -2.986  -2.058  -2.623  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -3.124  -1.288  -1.308  0.00  0.00    +0.076 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.966  -2.196  -0.112  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -4.096  -3.107   0.307  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.719  -1.938   1.170  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
BRANCH  18  26
ATOM     26  C   LIG    1       -2.850   1.196  -1.255  0.00  0.00    +0.143 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.488   1.584   0.059  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.782   2.127   0.072  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.377   2.523   1.272  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.683   2.390   2.472  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.394   1.862   2.474  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.798   1.465   1.276  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 6