REMARK  Name = BDB019818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.982  -0.810   0.197  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -2.203  -0.242   0.146  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -3.300  -1.009   0.251  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -4.576  -0.445   0.184  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -4.900   0.946  -0.229  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -3.763   1.802  -0.810  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1       -4.455   2.888  -1.633  0.00  0.00    +0.002 C 
ATOM      8  C   LIG    1       -5.766   2.268  -2.104  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -5.823   0.880  -1.472  0.00  0.00    +0.027 C 
ATOM     10  C   LIG    1       -5.591   1.673   0.960  0.00  0.00    +0.130 C 
ATOM     11  N   LIG    1       -6.782   0.968   1.398  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1       -7.663   1.451   1.521  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1       -6.843  -0.405   1.351  0.00  0.00    +0.234 C 
ATOM     14  O   LIG    1       -7.910  -0.982   1.542  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -5.499  -1.124   1.141  0.00  0.00    +0.169 C 
ATOM     16  C   LIG    1       -5.698  -2.561   0.683  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1       -4.352  -3.233   0.598  0.00  0.00    +0.170 C 
ATOM     18  O   LIG    1       -4.224  -4.454   0.641  0.00  0.00    -0.292 OA
ATOM     19  C   LIG    1       -3.168  -2.376   0.438  0.00  0.00    +0.076 A 
ATOM     20  C   LIG    1       -1.896  -2.891   0.478  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1       -0.795  -2.126   0.361  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   1  22
ATOM     22  N   LIG    1        0.080   0.065   0.070  0.00  0.00    -0.268 N 
ATOM     23  H   LIG    1       -0.218   1.019  -0.054  0.00  0.00    +0.156 HD
BRANCH  22  27
ATOM     24  C   LIG    1        4.276  -0.108   0.015  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        3.491   1.038  -0.123  0.00  0.00    +0.136 A 
ATOM     26  N   LIG    1        2.131   1.091  -0.104  0.00  0.00    -0.238 NA
ATOM     27  C   LIG    1        1.455  -0.064   0.060  0.00  0.00    +0.125 A 
ATOM     28  C   LIG    1        2.135  -1.262   0.205  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        3.536  -1.278   0.181  0.00  0.00    +0.028 A 
BRANCH  24  34
ATOM     30  C   LIG    1        9.641   0.610  -0.802  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1        8.658  -0.094   0.017  0.00  0.00    -0.302 NA
ATOM     32  C   LIG    1        7.823   0.839   0.801  0.00  0.00    +0.103 C 
ATOM     33  C   LIG    1        6.422   1.143   0.218  0.00  0.00    +0.120 C 
ATOM     34  N   LIG    1        5.658  -0.095  -0.013  0.00  0.00    -0.326 N 
ATOM     35  C   LIG    1        6.447  -1.323  -0.213  0.00  0.00    +0.120 C 
ATOM     36  C   LIG    1        7.830  -0.988  -0.820  0.00  0.00    +0.103 C 
ENDBRANCH  24  34
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 3