REMARK  Name = BDB005098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.078   2.585  -2.265  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1       -2.627   1.779  -2.551  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.290   2.403   2.047  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -3.103   2.506   1.290  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1       -3.226   2.522  -0.114  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.027   2.607  -0.854  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1       -0.837   2.738  -0.256  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -0.817   2.702   1.074  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -4.508   2.460  -0.717  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.663   2.364   0.046  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1       -1.885   2.587   1.871  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -5.552   2.330   1.427  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1       -3.123   2.460   4.212  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.120   2.421   5.220  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.245   2.539   3.705  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1       -4.307   2.362   3.544  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1       -5.354   2.243   4.171  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.793   2.593  -2.966  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.301   1.182  -3.209  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        0.584   0.572  -2.302  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        1.021  -0.740  -2.491  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        0.569  -1.446  -3.612  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -0.312  -0.855  -4.521  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -0.750   0.452  -4.318  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  N   LIG    1        1.896  -1.416  -1.615  0.00  0.00    -0.285 N 
ATOM     26  H   LIG    1        2.141  -2.360  -1.885  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1        2.454  -0.943  -0.436  0.00  0.00    +0.220 C 
ATOM     28  O   LIG    1        2.290   0.172   0.048  0.00  0.00    -0.275 OA
BRANCH  27  29
ATOM     29  C   LIG    1        3.338  -1.995   0.247  0.00  0.00    +0.075 C 
ATOM     30  C   LIG    1        4.160  -1.373   1.385  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        5.011  -2.416   2.104  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        4.160  -3.571   2.621  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1        3.333  -4.199   1.505  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        2.486  -3.160   0.772  0.00  0.00    +0.013 C 
ENDBRANCH  27  29
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6