REMARK  Name = BDB034685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.118  -1.478  -0.841  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.267  -1.671  -0.946  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.494  -3.026  -1.176  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        1.766  -3.528  -1.331  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.827  -2.617  -1.233  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.618  -1.238  -0.967  0.00  0.00    +0.034 A 
ATOM      7  N   LIG    1       -0.747  -3.674  -1.204  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -0.944  -5.082  -1.385  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.303  -0.763  -0.852  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.767  -2.726  -0.976  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.967  -2.938  -0.903  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.744  -0.387  -0.915  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        4.623  -0.894  -0.896  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.900   0.882  -0.295  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        5.086   1.584  -0.489  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1        6.407   0.965  -1.403  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1        5.176   2.821   0.111  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        4.192   3.365   0.854  0.00  0.00    -0.239 NA
ATOM     19  C   LIG    1        3.075   2.629   0.981  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1        1.962   3.183   1.814  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1        2.896   1.410   0.438  0.00  0.00    -0.216 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  22
ATOM     22  C   LIG    1       -1.772  -0.232  -0.524  0.00  0.00    +0.128 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.762   0.049   0.982  0.00  0.00    +0.036 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.302   1.442   1.326  0.00  0.00    +0.096 C 
ATOM     25  C   LIG    1       -2.036   1.780   2.794  0.00  0.00    +0.019 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.793   1.524   1.051  0.00  0.00    +0.310 C 
ATOM     27  O   LIG    1       -4.670   1.205   1.841  0.00  0.00    -0.251 OA
BRANCH  26  29
ATOM     28  C   LIG    1       -5.386   2.062  -0.576  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -4.007   1.991  -0.211  0.00  0.00    -0.468 OA
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7