REMARK  Name = BDB060634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.772   0.936   0.459  0.00  0.00    +0.130 C 
ATOM      2  C   LIG    1       -2.858   1.672  -0.889  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -2.955   0.729  -2.088  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -2.413  -0.678  -1.830  0.00  0.00    +0.007 C 
ATOM      5  C   LIG    1       -1.261  -0.762  -0.811  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1       -1.015  -2.233  -0.424  0.00  0.00    +0.089 C 
ATOM      7  N   LIG    1        0.029  -2.472   0.573  0.00  0.00    -0.293 NA
ATOM      8  C   LIG    1        0.194  -1.419   1.601  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1        1.397  -0.558   1.317  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        2.321  -0.740   0.308  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        2.202  -1.888  -0.630  0.00  0.00    +0.053 C 
ATOM     12  C   LIG    1        3.283   0.308   0.385  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        2.923   1.088   1.490  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        3.647   2.216   1.886  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.769   2.557   1.130  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        5.152   1.799   0.022  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.425   0.663  -0.373  0.00  0.00    +0.129 A 
ATOM     18  N   LIG    1        1.793   0.527   2.049  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        1.326   0.885   2.869  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -1.090  -0.577   1.751  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1        1.300  -2.969   0.006  0.00  0.00    +0.090 C 
ATOM     22  C   LIG    1       -1.448   0.140   0.436  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   1  23
ATOM     23  C   LIG    1       -4.016   0.093   0.730  0.00  0.00    +0.313 C 
ATOM     24  O   LIG    1       -4.029  -1.103   0.983  0.00  0.00    -0.250 OA
BRANCH  23  26
ATOM     25  C   LIG    1       -6.350   0.168   0.951  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1       -5.136   0.873   0.676  0.00  0.00    -0.468 OA
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   2  27
ATOM     27  O   LIG    1       -3.893   2.648  -0.933  0.00  0.00    -0.391 OA
ATOM     28  H   LIG    1       -4.721   2.229  -0.631  0.00  0.00    +0.210 HD
ENDBRANCH   2  27
BRANCH  17  29
ATOM     29  O   LIG    1        4.735  -0.129  -1.449  0.00  0.00    -0.494 OA
ATOM     30  C   LIG    1        5.902   0.201  -2.188  0.00  0.00    +0.277 C 
ENDBRANCH  17  29
TORSDOF 4