REMARK  Name = BDB049240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.031  -0.370  -1.012  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.958  -1.830  -1.054  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.444  -2.063  -0.915  0.00  0.00    +0.075 C 
ATOM      4  C   LIG    1       -1.037  -1.027   0.164  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1       -2.153   0.042   0.086  0.00  0.00    +0.090 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.385  -0.429  -0.001  0.00  0.00    -0.002 C 
ATOM      7  C   LIG    1        1.492  -1.489  -0.050  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1        2.877  -0.857  -0.209  0.00  0.00    +0.107 C 
ATOM      9  N   LIG    1        3.067   0.305   0.668  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        2.078   0.491   1.726  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1        0.680   0.608   1.110  0.00  0.00    +0.023 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.393   0.564   1.041  0.00  0.00    +0.140 A 
ATOM     13  N   LIG    1        4.680   0.870   2.330  0.00  0.00    -0.236 NA
ATOM     14  C   LIG    1        5.980   1.124   2.636  0.00  0.00    +0.146 A 
ATOM     15  C   LIG    1        6.987   1.083   1.689  0.00  0.00    +0.143 A 
ATOM     16  N   LIG    1        6.747   0.791   0.384  0.00  0.00    -0.245 NA
ATOM     17  C   LIG    1        5.439   0.546   0.101  0.00  0.00    +0.155 A 
BRANCH  15  18
ATOM     18  C   LIG    1        8.394   1.367   2.082  0.00  0.00    +0.261 C 
ATOM     19  O   LIG    1        8.714   1.637   3.232  0.00  0.00    -0.269 OA
ATOM     20  N   LIG    1        9.311   1.306   1.068  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        9.005   1.093   0.125  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       10.283   1.501   1.259  0.00  0.00    +0.145 HD
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  23
ATOM     23  N   LIG    1       -0.973  -3.443  -0.671  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1       -1.088  -4.256  -1.885  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -1.631  -4.125   0.442  0.00  0.00    +0.104 C 
ENDBRANCH   3  23
BRANCH   1  26
ATOM     26  C   LIG    1       -4.404   0.129  -0.913  0.00  0.00    +0.122 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -5.059   2.146   1.280  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1       -4.800   2.557  -0.143  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -4.511   1.619  -1.160  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.312   2.092  -2.468  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1       -4.072   1.227  -3.465  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -4.373   3.447  -2.777  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -4.642   4.368  -1.773  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1       -4.856   3.926  -0.468  0.00  0.00    +0.004 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 6