REMARK  Name = BDB015985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.968   1.875   1.225  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.217   1.053   0.467  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.032   1.440   0.134  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.560   2.650   0.582  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.701   3.426   1.339  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.556   3.070   1.676  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.133  -0.250   1.450  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.840   0.193   1.124  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.332   1.430   1.577  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.179   2.216   2.379  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.466   1.790   2.715  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.939   0.562   2.254  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.925  -4.283  -1.338  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.968  -3.304  -0.280  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.779  -3.503   0.774  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.574  -2.422   1.532  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.630  -1.529   0.973  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.260  -2.139  -0.209  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.916   3.119   0.318  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.181   4.429   0.167  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.507   4.487  -0.049  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.134   5.769  -0.262  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -5.114   3.271  -0.032  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.114   2.360   0.211  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.803   0.580  -0.680  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.138   1.136  -1.467  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.172  -0.674  -1.122  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -1.962  -1.224  -2.330  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -3.138  -2.095  -1.893  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -2.664  -3.324  -1.111  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -1.316  -3.117  -0.417  0.00  0.00    +0.033 C 
ATOM     32  C   LIG    1       -1.141  -1.680   0.051  0.00  0.00    +0.025 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -2.541  -4.422  -2.014  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -2.317  -5.208  -1.487  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6