REMARK  Name = BDB004952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.305  -0.337   0.044  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.569  -0.902  -0.232  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.640  -0.004  -0.402  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.909  -0.548  -0.695  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        5.103  -1.940  -0.800  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        4.046  -2.815  -0.613  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.439   1.328  -0.280  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.205   1.751   0.015  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.790  -2.300  -0.329  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.131   0.984   0.185  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.132   0.289  -0.910  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        7.223  -0.218  -1.151  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.015   1.644  -0.836  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.124   2.079  -0.614  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.838   2.216  -0.961  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.190  -1.183   0.207  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.115  -1.802  -0.597  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.114  -0.550   0.523  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.976  -1.641   1.234  0.00  0.00    +0.103 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.991  -2.223   2.430  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -3.325  -1.216   1.617  0.00  0.00    -0.317 NA
ATOM     22  H   LIG    1       -3.277  -0.334   2.130  0.00  0.00    +0.122 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1       -1.780  -0.018  -0.770  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.733   1.138  -0.555  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -2.244   2.401  -0.191  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.119   3.471   0.004  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.490   3.291  -0.165  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.987   2.041  -0.529  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.113   0.971  -0.725  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7