REMARK  Name = BDB030249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.010   0.583   1.425  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.700   0.286   1.075  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.256  -0.425  -0.117  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        1.236  -0.445  -0.008  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        2.037   0.841  -0.062  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1        1.626   0.231   1.263  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.383   0.677   1.961  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -2.257   1.189   2.470  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  11
ATOM      9  N   LIG    1       -5.114  -0.121  -0.308  0.00  0.00    -0.334 N 
ATOM     10  C   LIG    1       -4.443   0.439   0.741  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -3.102   0.163   0.530  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1       -2.971  -0.568  -0.641  0.00  0.00    -0.231 NA
ATOM     13  C   LIG    1       -4.188  -0.717  -1.115  0.00  0.00    +0.200 A 
BRANCH   9  15
ATOM     14  C   LIG    1       -7.069   1.327  -0.737  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -6.552  -0.098  -0.542  0.00  0.00    +0.082 C 
ATOM     16  C   LIG    1       -7.315  -0.821   0.567  0.00  0.00    +0.030 C 
ENDBRANCH   9  15
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1        3.457   0.873  -0.513  0.00  0.00    +0.217 C 
ATOM     18  N   LIG    1        4.231  -0.214  -0.177  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        3.792  -0.957   0.347  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1        3.853   1.842  -1.144  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.649  -0.377  -0.525  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1        6.501   0.738   0.102  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        6.127  -1.727   0.041  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        5.842  -0.397  -2.050  0.00  0.00    +0.031 C 
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 4