REMARK  Name = BDB051041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.170  -0.137  -0.494  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.096   0.350   0.293  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.106   1.774   0.799  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.014  -0.510   0.623  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.005  -1.838   0.144  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.057  -2.255  -0.644  0.00  0.00    +0.138 A 
ATOM      7  O   LIG    1       -0.891  -3.552  -1.024  0.00  0.00    -0.460 OA
ATOM      8  C   LIG    1        0.276  -3.986  -0.472  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1        0.652  -5.384  -0.753  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1        0.858  -2.974   0.261  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -2.146  -1.458  -0.982  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.091  -0.048   1.493  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        2.353  -0.183   0.958  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.455  -0.720   0.105  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        0.859   0.420   2.600  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.521  -0.038   1.794  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.729   0.156   0.930  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        5.305  -1.103   0.354  0.00  0.00    +0.254 A 
ATOM     19  O   LIG    1        4.766  -2.196   0.508  0.00  0.00    -0.268 OA
ATOM     20  N   LIG    1        6.457  -0.974  -0.378  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        6.831  -1.836  -0.755  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        7.086   0.220  -0.634  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        8.330   0.173  -1.465  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.561   1.351  -0.140  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.349   1.329   0.668  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        4.882   2.677   1.142  0.00  0.00    +0.044 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   4  12
BRANCH   1  27
ATOM     27  N   LIG    1       -3.287   0.706  -0.754  0.00  0.00    -0.327 N 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.310   0.585   0.325  0.00  0.00    +0.078 C 
ATOM     29  C   LIG    1       -5.441  -0.412   0.034  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -6.733   0.313  -0.308  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -7.176   1.181   0.734  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -6.144   1.799   1.502  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -4.845   1.964   0.731  0.00  0.00    +0.050 C 
ENDBRANCH  27  28
BRANCH  27  35
ATOM     34  C   LIG    1       -4.077   2.156  -2.607  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1       -3.672   0.755  -2.177  0.00  0.00    +0.102 C 
ENDBRANCH  27  35
ENDBRANCH   1  27
TORSDOF 6