REMARK  Name = BDB041315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.824  -0.002  -0.450  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        0.047  -0.399  -1.563  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -1.344  -0.151  -1.544  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -2.083  -0.593  -2.653  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1       -1.567  -1.208  -3.744  0.00  0.00    -0.263 NA
ATOM      6  C   LIG    1       -0.239  -1.414  -3.740  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -1.913   0.504  -0.425  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -1.171   0.865   0.641  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        0.591  -1.039  -2.697  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.156   0.615   0.604  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        1.971  -2.484   0.747  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.838  -1.378   0.205  0.00  0.00    -0.042 A 
ATOM     13  C   LIG    1        2.278  -0.211  -0.360  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.140   0.787  -0.848  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.525   0.636  -0.784  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.089  -0.515  -0.223  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        4.236  -1.516   0.264  0.00  0.00    +0.009 A 
BRANCH  16  18
ATOM     18  C   LIG    1        6.594  -0.685  -0.165  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        7.280   0.407   0.549  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1        6.982   0.379   1.984  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        8.725   0.310   0.341  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  N   LIG    1       -3.297   0.772  -0.405  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.533   1.323  -1.227  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.770   1.443   0.804  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.265   1.593   0.728  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -6.124   0.496   0.733  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.815  -0.954   0.739  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.211  -1.500   1.040  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -8.199  -0.519   0.648  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.500   0.660   0.649  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -8.089   1.905   0.556  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.251   3.020   0.559  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.861   2.858   0.646  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.092   3.957   0.637  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6