REMARK  Name = BDB014633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.280  -4.383  -0.076  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.369  -3.168   0.399  0.00  0.00    -0.302 N 
ATOM      3  C   LIG    1        1.620  -2.853  -0.128  0.00  0.00    +0.216 C 
ATOM      4  O   LIG    1        2.120  -3.507  -1.046  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.354  -1.663   0.464  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.722  -1.475  -0.192  0.00  0.00    +0.083 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.428  -0.282   0.356  0.00  0.00    +0.109 A 
ATOM      8  N   LIG    1        5.072   0.625  -0.451  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1        5.131   0.581  -1.458  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.618   1.598   0.345  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        5.272   1.218   1.636  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.682   2.011   2.717  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.431   3.166   2.457  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.764   3.523   1.148  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.364   2.743   0.056  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1        4.540   0.055   1.625  0.00  0.00    -0.232 NA
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -0.238  -2.510   1.560  0.00  0.00    +0.140 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.991  -1.191   1.270  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.429  -0.676   2.539  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -2.196  -1.198   2.831  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.194  -1.383   0.309  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.727  -0.149  -0.311  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.784  -0.508  -1.282  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.505   0.674  -1.891  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.479   1.933  -1.271  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -5.182   3.005  -1.836  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.930   2.821  -2.999  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.975   1.570  -3.607  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.638   2.143  -0.041  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.268   0.500  -3.056  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.249   0.828   0.654  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8