REMARK  Name = BDB022414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.609   0.007  -2.097  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.309   0.166  -1.573  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.823   0.315  -2.397  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1       -0.640   0.304  -3.785  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.632   0.141  -4.330  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.741  -0.010  -3.495  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.872  -0.498   0.599  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        3.568  -0.920   0.842  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        2.526  -0.757  -0.009  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        2.771  -0.142  -1.194  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        4.046   0.321  -1.515  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        5.100   0.140  -0.613  0.00  0.00    +0.027 A 
BRANCH   7  14
ATOM     13  C   LIG    1        7.194  -0.398   1.514  0.00  0.00    +0.241 C 
ATOM     14  N   LIG    1        5.858  -0.737   1.581  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        5.540  -1.210   2.416  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        7.766   0.169   0.593  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        9.245  -0.567   2.863  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        7.934  -0.810   2.743  0.00  0.00    +0.060 C 
ENDBRANCH  13  18
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1       -2.204   0.469  -1.764  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -3.151  -0.643  -2.225  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -2.847   1.834  -2.015  0.00  0.00    +0.225 C 
ATOM     22  N   LIG    1       -3.745   2.373  -1.146  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -4.085   3.283  -1.429  0.00  0.00    +0.156 HD
ATOM     24  O   LIG    1       -2.606   2.487  -3.038  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.294   1.966   0.043  0.00  0.00    +0.147 A 
ATOM     26  N   LIG    1       -5.146   2.818   0.628  0.00  0.00    -0.158 NA
ATOM     27  N   LIG    1       -5.533   2.197   1.752  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1       -6.187   2.667   2.368  0.00  0.00    +0.189 HD
ATOM     29  C   LIG    1       -4.970   0.970   1.899  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.152   0.788   0.811  0.00  0.00    +0.068 A 
BRANCH  29  31
ATOM     31  C   LIG    1       -5.189  -0.007   3.072  0.00  0.00    +0.037 C 
ATOM     32  C   LIG    1       -5.658  -1.407   2.778  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -6.593  -0.425   3.420  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH  22  25
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 7