REMARK  Name = BDB020936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.652   0.565  -1.441  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.007   1.852  -1.790  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.511   1.883  -1.426  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.774   0.692  -1.880  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.604   0.830  -2.041  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.149   1.932  -2.042  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.443  -0.591  -1.618  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.932  -0.585  -2.020  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.804   0.184   2.558  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        4.014   1.219   2.095  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        3.628   1.356   0.802  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.024   0.431  -0.099  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.838  -0.633   0.298  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.227  -0.762   1.634  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        5.472   0.033   5.054  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        5.173   0.103   3.935  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.397  -0.450  -2.275  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.907  -0.216  -2.337  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.525  -0.443  -0.978  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -3.828  -1.743  -0.666  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.684  -2.488  -1.333  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.375  -2.123   0.533  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -4.642  -3.291   0.786  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -4.614  -1.038   1.496  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -4.268   0.251   1.099  0.00  0.00    +0.096 A 
ATOM     26  C   LIG    1       -4.499   1.256   2.025  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -5.030   1.056   3.259  0.00  0.00    -0.261 NA
ATOM     28  C   LIG    1       -5.349  -0.214   3.592  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.162  -1.293   2.751  0.00  0.00    +0.035 A 
ATOM     30  N   LIG    1       -3.713   0.539  -0.160  0.00  0.00    -0.232 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5