REMARK  Name = BDB016053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.190   2.343   0.359  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.384   1.281   0.164  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.938   1.498   0.006  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.480   2.784   0.066  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.565   3.801   0.268  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.763   3.616   0.407  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.522   0.513   0.727  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.150   0.775   0.573  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.636   2.089   0.522  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.559   3.144   0.637  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.926   2.903   0.793  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.404   1.594   0.837  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.026  -4.388   0.079  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.234  -3.017   0.477  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.319  -2.697   1.204  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.191  -1.381   1.389  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.028  -0.849   0.782  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.434  -1.948   0.194  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.897   3.071  -0.052  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.435   4.137  -0.746  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.791   4.033  -0.613  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.790   4.918  -1.161  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.176   2.970   0.113  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.024   2.393   0.465  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.782   0.383  -0.197  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.378   0.577  -1.001  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.098  -0.903  -0.319  0.00  0.00    +0.108 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.131  -2.030  -0.445  0.00  0.00    +0.032 C 
ATOM     29  C   LIG    1       -2.970  -2.174   0.838  0.00  0.00    +0.164 C 
ATOM     30  O   LIG    1       -3.462  -3.502   1.054  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1       -3.788  -4.175  -0.155  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1       -2.517  -4.468  -0.944  0.00  0.00    +0.028 C 
ATOM     33  C   LIG    1       -1.469  -3.366  -0.788  0.00  0.00    +0.009 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6