REMARK  Name = BDB013373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647  -0.545  -0.422  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.175   0.436  -1.012  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.529   0.548  -0.671  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.116  -0.296   0.278  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.552  -0.123   0.602  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.182  -1.002   1.659  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.570  -0.539   2.110  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.418  -0.110   0.923  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.745   1.034   0.165  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.271   0.816  -0.050  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.632   1.713  -1.059  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.266   2.586  -1.644  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.304  -1.270   0.869  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.303   1.525  -1.301  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -1.897   2.137  -1.996  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.053  -1.390   0.530  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.795  -1.966  -0.351  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.150  -0.632  -0.796  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.309  -0.552  -2.276  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.424  -0.468  -3.429  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.860   0.582  -0.117  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.371   0.629  -0.208  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        5.160   0.166   0.855  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.553   0.198   0.772  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.172   0.695  -0.372  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.399   1.165  -1.432  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.006   1.135  -1.351  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4