REMARK  Name = BDB032962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.742  -3.595   0.558  0.00  0.00    +0.171 A 
ATOM      2  C   LIG    1        2.579  -2.842   0.550  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1        2.190  -1.552  -0.057  0.00  0.00    +0.168 C 
ATOM      4  N   LIG    1        0.783  -1.237   0.192  0.00  0.00    -0.260 N 
ATOM      5  C   LIG    1       -0.162  -2.348   0.372  0.00  0.00    +0.135 C 
ATOM      6  C   LIG    1        0.306  -3.314   1.449  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1        0.357   0.026  -0.192  0.00  0.00    +0.403 C 
ATOM      8  O   LIG    1        1.107   0.911  -0.587  0.00  0.00    -0.226 OA
ATOM      9  N   LIG    1        1.692  -3.632   1.218  0.00  0.00    -0.245 N 
ATOM     10  N   LIG    1        2.227  -4.793   1.604  0.00  0.00    -0.065 NA
ATOM     11  N   LIG    1        3.487  -4.795   1.187  0.00  0.00    -0.124 NA
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        5.508  -2.014   0.264  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1        5.056  -1.498   1.020  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        5.038  -3.282  -0.024  0.00  0.00    +0.266 C 
ATOM     15  O   LIG    1        5.677  -4.088  -0.694  0.00  0.00    -0.268 OA
BRANCH  12  16
ATOM     16  C   LIG    1        6.849  -1.636  -0.119  0.00  0.00    +0.105 C 
BRANCH  16  17
ATOM     17  C   LIG    1        7.318  -0.313   0.485  0.00  0.00    +0.028 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.499   0.900   0.045  0.00  0.00    +0.097 C 
BRANCH  18  22
ATOM     19  C   LIG    1        3.285   2.583   1.130  0.00  0.00    +0.128 C 
ATOM     20  N   LIG    1        4.522   2.209   0.488  0.00  0.00    -0.318 N 
ATOM     21  H   LIG    1        4.934   2.861  -0.167  0.00  0.00    +0.148 HD
ATOM     22  C   LIG    1        5.208   1.067   0.826  0.00  0.00    +0.213 C 
ATOM     23  O   LIG    1        4.816   0.255   1.659  0.00  0.00    -0.276 OA
ENDBRANCH  18  22
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   7  24
ATOM     24  O   LIG    1       -0.989   0.178  -0.079  0.00  0.00    -0.450 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.482   1.468  -0.461  0.00  0.00    +0.234 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.998   1.496  -0.277  0.00  0.00    +0.041 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.711   0.517  -1.215  0.00  0.00    +0.003 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.226   0.452  -0.990  0.00  0.00    +0.000 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.943   1.771  -1.298  0.00  0.00    +0.003 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.478   1.639  -1.323  0.00  0.00    -0.017 C 
ATOM     31  C   LIG    1       -8.051   1.216   0.031  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -8.105   2.966  -1.759  0.00  0.00    +0.007 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 12