REMARK  Name = BDB030246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.864  -0.345   0.387  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -1.420  -0.841  -0.975  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1       -0.304  -0.180  -1.712  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.864  -0.375  -0.872  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        2.083   0.161  -1.261  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1        2.168   0.842  -2.286  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.609  -1.214   0.295  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -0.863  -1.475   0.249  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1  15
ATOM      9  N   LIG    1       -4.315  -0.035   0.305  0.00  0.00    -0.277 N 
ATOM     10  C   LIG    1       -5.458  -0.580   1.005  0.00  0.00    +0.201 C 
ATOM     11  C   LIG    1       -6.332  -1.426   0.087  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -6.255   0.488   1.742  0.00  0.00    +0.081 C 
ATOM     13  O   LIG    1       -4.879  -1.466   2.000  0.00  0.00    -0.367 OA
ATOM     14  N   LIG    1       -3.452  -1.451   1.834  0.00  0.00    -0.071 NA
ATOM     15  C   LIG    1       -3.224  -0.623   0.858  0.00  0.00    +0.144 C 
BRANCH   9  17
ATOM     16  C   LIG    1       -4.001   2.333  -0.232  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -4.394   0.954  -0.738  0.00  0.00    +0.107 C 
ENDBRANCH   9  17
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        3.275  -0.094  -0.434  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1        3.328  -0.868   0.716  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1        4.576  -0.827   1.125  0.00  0.00    +0.200 A 
ATOM     21  N   LIG    1        5.348  -0.063   0.297  0.00  0.00    -0.334 N 
ATOM     22  C   LIG    1        4.539   0.408  -0.697  0.00  0.00    +0.120 A 
BRANCH  21  23
ATOM     23  C   LIG    1        6.773   0.189   0.462  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1        7.583  -0.367  -0.709  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        7.061   1.674   0.683  0.00  0.00    +0.030 C 
ENDBRANCH  21  23
ENDBRANCH   5  18
TORSDOF 4