REMARK  Name = BDB014737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.474  -4.107   2.428  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.019  -3.769   2.223  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.719  -2.755   1.322  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.282  -2.519   1.080  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.068  -1.208   0.411  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.875  -0.503   0.104  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.161   0.644  -0.522  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.504   0.692  -0.597  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.089  -0.419  -0.073  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.530  -0.753   0.020  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.670  -2.265   0.300  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.150  -4.374   2.851  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.148   1.835  -1.192  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.872   2.002  -2.675  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.159   3.378  -2.984  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.184   4.119  -1.754  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.721   3.187  -0.653  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.349  -0.984   0.423  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.405  -1.865   0.927  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.649  -0.469   0.211  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.747  -1.209   0.677  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.524  -2.376   1.305  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.064  -0.783   0.512  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.329   0.423  -0.140  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.246   1.175  -0.616  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.925   0.734  -0.442  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.690   0.895  -0.334  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.767   0.585   0.472  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.843   1.241  -0.052  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        9.196   1.229   0.447  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.549   1.964  -1.147  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.241   1.754  -1.315  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4