REMARK  Name = BDB009578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.295  -0.286  -0.707  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.882   0.357  -0.068  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.890  -0.711   0.479  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.911  -1.984  -0.390  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -1.401  -1.716  -1.807  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.036  -1.212  -1.734  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        0.877  -1.558  -2.561  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.548   1.381   1.019  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.852   2.738   0.812  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -0.561   3.691   1.791  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.035   3.298   2.986  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.394   4.472   4.191  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.343   1.960   3.211  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.052   1.005   2.233  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -3.282  -0.116   0.690  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -4.168   0.123  -0.373  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.421   0.694  -0.136  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -6.489   0.984  -1.454  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -5.812   1.036   1.155  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.944   0.807   2.219  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.690   0.236   1.988  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.579   0.436  -0.805  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     23  C   LIG    1        4.242   1.524  -1.535  0.00  0.00    +0.011 C 
ATOM     24  C   LIG    1        4.173   0.355  -0.546  0.00  0.00    -0.031 C 
ATOM     25  C   LIG    1        2.837  -0.443  -0.577  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        2.818  -1.146   0.791  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        3.630  -0.272   1.747  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        4.229   0.854   0.907  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        5.368  -0.581  -0.834  0.00  0.00    +0.011 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   5  30
ATOM     30  C   LIG    1       -1.501  -2.971  -2.688  0.00  0.00    +0.133 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -2.915  -3.218  -3.134  0.00  0.00    +0.305 C 
ATOM     32  O   LIG    1       -3.863  -2.459  -3.025  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -3.062  -4.423  -3.715  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -4.006  -4.456  -3.975  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7