REMARK  Name = BDB060867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.496  -1.599  -0.631  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -1.735  -2.211  -1.154  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.980  -1.974  -0.270  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -3.259  -0.530  -0.163  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.086   0.362  -0.188  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.783  -0.394   0.169  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.508  -0.062   0.210  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -5.517  -0.878   0.737  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -6.761  -0.477   1.106  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -7.048   0.833   0.947  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -6.136   1.745   0.436  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.867   1.285   0.067  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -8.424   1.266   1.355  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1       -9.055   0.730   2.258  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1       -8.991   2.300   0.645  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1       -8.673   2.522  -0.288  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -9.973   2.452   0.841  0.00  0.00    +0.145 HD
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        0.470  -1.382  -1.722  0.00  0.00    +0.140 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.477   0.421   0.107  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        5.721   1.628  -0.361  0.00  0.00    +0.252 A 
ATOM     21  O   LIG    1        6.225   2.746  -0.371  0.00  0.00    -0.268 OA
ATOM     22  N   LIG    1        4.431   1.432  -0.782  0.00  0.00    -0.322 N 
ATOM     23  H   LIG    1        3.944   2.262  -1.089  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        3.804   0.180  -0.807  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        4.515  -0.941  -0.386  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        3.858  -2.159  -0.433  0.00  0.00    +0.121 A 
ATOM     27  N   LIG    1        2.583  -2.312  -0.861  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        1.907  -1.201  -1.256  0.00  0.00    +0.057 A 
ATOM     29  C   LIG    1        2.491   0.064  -1.249  0.00  0.00    +0.051 A 
ATOM     30  C   LIG    1        5.892  -0.790   0.076  0.00  0.00    +0.020 A 
BRANCH  19  32
ATOM     31  C   LIG    1        7.971   1.208   1.968  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        7.895   0.633   0.561  0.00  0.00    +0.037 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5