REMARK  Name = BDB014926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.804   5.492   0.530  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.327   4.155   0.273  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -5.738   3.431   0.842  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.991   3.954   0.026  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.633   2.627  -0.162  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -2.198   2.399  -0.410  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -1.870   0.952  -0.303  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.621   0.282  -0.308  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.801  -1.038  -0.210  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.133  -1.222  -0.138  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.819  -0.047  -0.199  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.281   0.198  -0.149  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.567   1.612  -0.699  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -3.183   4.877  -0.010  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -2.630  -2.588  -0.027  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -3.314  -3.068  -1.315  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -4.394  -4.099  -1.019  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -3.974  -4.948   0.042  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -3.903  -4.285   1.306  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -3.513  -2.814   1.200  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  N   LIG    1        0.553   0.949  -0.406  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1        0.528   1.964  -0.457  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.894   0.499  -0.441  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        2.918   1.456  -0.546  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.588   2.757  -0.610  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.266   1.108  -0.588  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        4.633  -0.236  -0.521  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1        3.631  -1.209  -0.425  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        2.277  -0.843  -0.383  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.026  -0.631  -0.576  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        7.040  -0.151   0.237  0.00  0.00    +0.044 A 
ATOM     32  C   LIG    1        7.036   0.830   1.354  0.00  0.00    +0.066 C 
ATOM     33  N   LIG    1        8.178  -0.798  -0.182  0.00  0.00    -0.271 N 
ATOM     34  C   LIG    1        9.520  -0.634   0.330  0.00  0.00    +0.172 C 
ATOM     35  N   LIG    1        7.962  -1.689  -1.167  0.00  0.00    -0.179 NA
ATOM     36  C   LIG    1        6.654  -1.586  -1.405  0.00  0.00    +0.143 A 
ENDBRANCH  27  30
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4