REMARK  Name = BDB013320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636   2.856   1.107  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -0.094   2.623  -0.315  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.228   1.857  -0.203  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        2.306   2.444  -0.315  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        1.163   0.503   0.144  0.00  0.00    -0.288 N 
ATOM      6  C   LIG    1       -0.121  -0.239   0.105  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.138   0.321  -0.942  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -1.076   1.837  -1.188  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.039  -1.737  -0.187  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.741  -2.192  -1.317  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.836  -3.558  -1.596  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.217  -4.480  -0.757  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.335  -6.161  -1.101  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.502  -4.050   0.355  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.596  -2.685   0.635  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -2.570  -0.140  -0.660  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.194  -1.044  -1.536  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.490  -1.495  -1.285  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.231  -2.609  -2.366  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.186  -1.054  -0.164  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.581  -0.155   0.713  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.282   0.297   0.468  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.347   0.016   0.907  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1        2.108  -0.970   2.064  0.00  0.00    +0.182 C 
ATOM     25  O   LIG    1        3.315  -1.162   2.816  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1        4.347  -1.745   2.018  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1        4.711  -0.841   0.846  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        3.479  -0.503   0.006  0.00  0.00    +0.027 C 
ENDBRANCH   5  23
BRANCH   2  29
ATOM     29  C   LIG    1        0.211   4.000  -0.965  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.003   4.852  -1.203  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1       -1.758   4.780  -2.158  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -1.229   5.735  -0.213  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -2.027   6.225  -0.504  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6