REMARK  Name = BDB046601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.765   0.182  -0.390  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -0.148  -0.040   0.843  0.00  0.00    +0.114 C 
ATOM      3  N   LIG    1        0.099   0.924   1.930  0.00  0.00    -0.336 N 
ATOM      4  H   LIG    1       -0.552   0.807   2.705  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1        0.259   2.265   1.567  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        0.665   2.655   0.289  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        0.852   3.994  -0.035  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        0.690   4.981   0.939  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        0.344   4.609   2.236  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.205   4.342  -1.419  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1        1.383   5.506  -1.758  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        1.303   3.291  -2.300  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        1.564   3.508  -3.257  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        1.169   1.969  -1.994  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        0.140   3.260   2.547  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.882   1.654  -0.763  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.736  -1.615  -0.116  0.00  0.00    -0.045 A 
ATOM     18  C   LIG    1        3.939  -1.777  -1.257  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.669  -1.198  -1.330  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.154  -0.446  -0.263  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1        2.959  -0.272   0.871  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.229  -0.852   0.944  0.00  0.00    +0.004 A 
BRANCH  17  24
ATOM     23  C   LIG    1        6.066  -3.756  -0.099  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        6.120  -2.229  -0.013  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        7.068  -1.656  -1.070  0.00  0.00    +0.012 C 
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   2  26
ATOM     26  C   LIG    1       -1.653  -0.104   0.574  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -2.451  -0.908   1.409  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.833  -0.991   1.225  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.460  -0.272   0.201  0.00  0.00    -0.033 A 
ATOM     30  C   LIG    1       -3.675   0.541  -0.625  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.290   0.625  -0.441  0.00  0.00    +0.006 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -5.961  -0.348   0.011  0.00  0.00    +0.119 C 
BRANCH  32  33
ATOM     33  N   LIG    1       -6.462  -1.722  -0.171  0.00  0.00    -0.304 NA
ATOM     34  C   LIG    1       -7.923  -1.737  -0.090  0.00  0.00    +0.104 C 
ATOM     35  C   LIG    1       -6.030  -2.282  -1.455  0.00  0.00    +0.104 C 
ENDBRANCH  32  33
ENDBRANCH  29  32
ENDBRANCH   2  26
TORSDOF 5