REMARK  Name = BDB018511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.468  -2.882   0.199  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.889  -2.405  -0.113  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.858  -3.326  -0.286  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.625  -4.687  -0.193  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.736  -5.599  -0.416  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -0.366  -5.205   0.079  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -0.092  -6.398   0.157  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.709  -4.203   0.290  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.727  -0.348   0.985  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        2.725  -0.381   1.874  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        1.690  -1.204   1.598  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        1.613  -1.999   0.473  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.696  -1.883  -0.373  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        3.751  -1.073  -0.141  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1        4.776   0.503   1.305  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        4.397   1.122   2.014  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.362   1.175   0.153  0.00  0.00    +0.132 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.497   2.102   0.603  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.084   3.667  -0.161  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        7.005   2.817  -0.525  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  21
ATOM     21  C   LIG    1       -1.188  -1.010  -0.239  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.171  -0.326   0.440  0.00  0.00    +0.117 A 
ATOM     23  N   LIG    1       -2.109   0.973  -0.000  0.00  0.00    -0.264 N 
ATOM     24  N   LIG    1       -1.141   1.166  -0.925  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -0.586  -0.040  -1.067  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -2.964   2.076   0.453  0.00  0.00    +0.134 C 
ATOM     27  C   LIG    1       -2.305   3.455   0.338  0.00  0.00    +0.038 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.313   2.033  -0.249  0.00  0.00    -0.023 A 
ATOM     29  C   LIG    1       -4.413   2.126  -1.647  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -5.658   2.090  -2.276  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.820   1.964  -1.518  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.738   1.874  -0.130  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.494   1.909   0.502  0.00  0.00    +0.006 A 
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   2  21
TORSDOF 8