REMARK  Name = BDB016329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.840   0.314   1.214  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.419   0.455   0.656  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.481   1.013  -0.186  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.165  -0.432   2.131  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM      5  C   LIG    1       -4.351  -2.012  -1.488  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1       -4.413  -1.627  -0.011  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -3.279  -0.803   0.350  0.00  0.00    -0.339 N 
ATOM      8  H   LIG    1       -2.733  -1.169   1.141  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -3.152   0.577   0.216  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.093   1.436  -0.391  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -3.761   2.787  -0.636  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -2.535   3.326  -0.256  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -1.603   2.513   0.365  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -5.404   1.104  -0.785  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.914   1.791  -1.328  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -6.198   0.046  -0.481  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.343   0.018  -0.941  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -1.896   1.155   0.575  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1       -5.719  -1.023   0.446  0.00  0.00    +0.118 C 
ENDBRANCH   1  18
BRANCH   2  20
ATOM     20  C   LIG    1        1.614  -0.173   1.066  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.757   0.056   0.286  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.999  -0.523   0.608  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.070  -1.343   1.743  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        2.941  -1.573   2.528  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        1.718  -0.989   2.191  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.187  -0.276  -0.223  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        5.904  -1.340  -0.793  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        7.032  -1.107  -1.585  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        7.461   0.197  -1.819  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.765   1.267  -1.262  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.637   1.032  -0.471  0.00  0.00    +0.008 A 
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 3