REMARK  Name = BDB004962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.773  -0.479   2.460  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.632   0.218   2.008  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.958  -0.298   0.885  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.811   0.403   0.455  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.390   1.521   1.064  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.103   1.940   2.106  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.440  -1.463   0.236  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.566  -2.132   0.694  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.188   1.342   2.614  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.229  -1.642   1.807  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        4.200   1.070   4.322  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        3.399   1.615   4.015  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        4.750   1.380   5.109  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        4.581  -0.050   3.645  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        5.567  -0.680   4.014  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.094  -0.074  -0.660  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.195  -1.037  -0.475  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.108   0.680  -1.060  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.758   1.845  -1.973  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -1.388   3.087  -1.795  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -1.101   4.159  -2.642  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.182   4.005  -3.678  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        0.453   2.779  -3.867  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        0.166   1.706  -3.022  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -2.076  -0.307  -1.792  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.304  -1.562  -1.036  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1       -3.065  -1.357   0.200  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1       -3.541  -2.758   0.554  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -3.527  -3.531  -0.760  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -3.103  -2.517  -1.809  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6