REMARK  Name = BDB049057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.738   0.319   0.159  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        1.902  -0.293   1.105  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        0.517  -0.080   1.123  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -0.090   0.759   0.186  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1        0.741   1.394  -0.749  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.126   1.178  -0.760  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.874  -0.650  -0.333  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        5.898  -1.625   0.336  0.00  0.00    +0.031 C 
ATOM      9  C   LIG    1        4.454  -1.341  -0.076  0.00  0.00    +0.106 C 
ATOM     10  N   LIG    1        4.122   0.067   0.194  0.00  0.00    -0.330 N 
ATOM     11  C   LIG    1        5.002   1.034  -0.474  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        6.446   0.794  -0.046  0.00  0.00    +0.031 C 
BRANCH   7  16
ATOM     13  C   LIG    1       10.154  -2.511   0.090  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.791  -2.145  -0.203  0.00  0.00    -0.318 N 
ATOM     15  H   LIG    1        8.285  -2.696  -0.883  0.00  0.00    +0.148 HD
ATOM     16  C   LIG    1        8.303  -0.899   0.137  0.00  0.00    +0.216 C 
ATOM     17  O   LIG    1        8.970  -0.067   0.744  0.00  0.00    -0.276 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.581   1.039   0.166  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -2.508   0.309   1.173  0.00  0.00    +0.079 C 
ATOM     20  C   LIG    1       -3.878   0.499   0.492  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -3.587   0.190  -0.909  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -2.240   0.707  -1.195  0.00  0.00    +0.094 C 
BRANCH  19  23
ATOM     23  N   LIG    1       -2.394   0.701   2.596  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -3.232  -0.144   3.449  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -2.648   2.111   2.874  0.00  0.00    +0.104 C 
ENDBRANCH  19  23
BRANCH  21  26
ATOM     26  C   LIG    1       -4.596   0.646  -1.865  0.00  0.00    +0.122 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.914  -0.090  -1.739  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.975  -1.423  -2.175  0.00  0.00    +0.128 A 
ATOM     29  F   LIG    1       -4.894  -2.003  -2.720  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.141  -2.176  -2.076  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -8.286  -1.601  -1.536  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -8.256  -0.274  -1.107  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -7.083   0.497  -1.203  0.00  0.00    -0.043 A 
ATOM     34  C   LIG    1       -7.123   1.928  -0.741  0.00  0.00    +0.044 C 
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH   4  18
TORSDOF 6