REMARK  Name = BDB064444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.340   1.363  -0.563  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -1.942   1.060   0.665  0.00  0.00    +0.247 C 
ATOM      3  O   LIG    1       -1.596   1.537   1.743  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -3.043   0.079   0.702  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -4.324   0.509   1.052  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -5.361  -0.420   1.121  0.00  0.00    +0.143 A 
ATOM      7  O   LIG    1       -6.598   0.078   1.420  0.00  0.00    -0.481 OA
ATOM      8  C   LIG    1       -7.576  -0.899   1.740  0.00  0.00    +0.325 C 
ATOM      9  C   LIG    1       -7.413  -2.343   1.266  0.00  0.00    +0.255 C 
ATOM     10  N   LIG    1       -6.150  -2.695   0.884  0.00  0.00    -0.280 N 
ATOM     11  H   LIG    1       -6.005  -3.662   0.625  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -8.331  -3.160   1.270  0.00  0.00    -0.272 OA
ATOM     13  C   LIG    1       -5.110  -1.768   0.845  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1       -3.824  -2.198   0.510  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.781  -1.272   0.448  0.00  0.00    +0.015 A 
ENDBRANCH   2   4
BRANCH   1  17
ATOM     16  C   LIG    1       -0.973   0.710  -2.974  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1       -1.971   1.055  -1.869  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -2.895   2.196  -2.307  0.00  0.00    +0.028 C 
ENDBRANCH   1  17
BRANCH   1  19
ATOM     19  C   LIG    1       -0.214   2.305  -0.524  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.134   1.613  -0.525  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        1.497   0.747   0.519  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        2.742   0.111   0.524  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        3.650   0.349  -0.514  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.296   1.205  -1.562  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.052   1.841  -1.561  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.988  -0.305  -0.549  0.00  0.00    +0.249 C 
ATOM     27  N   LIG    1        5.600  -0.417   0.684  0.00  0.00    -0.266 N 
ATOM     28  H   LIG    1        5.159   0.032   1.472  0.00  0.00    +0.157 HD
ATOM     29  O   LIG    1        5.433  -0.641  -1.639  0.00  0.00    -0.270 OA
BRANCH  27  30
ATOM     30  C   LIG    1        6.841  -1.030   0.920  0.00  0.00    +0.128 A 
ATOM     31  N   LIG    1        7.497  -1.652  -0.067  0.00  0.00    -0.221 NA
ATOM     32  C   LIG    1        8.671  -2.214   0.246  0.00  0.00    +0.223 A 
ATOM     33  N   LIG    1        9.243  -2.217   1.458  0.00  0.00    -0.244 NA
ATOM     34  C   LIG    1        8.552  -1.588   2.421  0.00  0.00    +0.116 A 
ATOM     35  C   LIG    1        7.338  -0.975   2.208  0.00  0.00    +0.063 A 
ENDBRANCH  27  30
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6