REMARK  Name = BDB018530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.684  -2.109   0.094  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        0.774  -2.017   0.283  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.478  -3.167   0.298  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.889  -4.412   0.165  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.742  -5.591   0.210  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -0.481  -4.570   0.015  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -1.066  -5.644  -0.086  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.270  -3.315  -0.031  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.231   1.220  -0.240  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1       -2.373   0.974  -1.240  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1       -1.566  -0.101  -1.109  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1       -1.583  -0.950  -0.024  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.508  -0.611   0.940  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1       -3.331   0.454   0.853  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1       -4.020   2.337  -0.411  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1       -3.934   2.591  -1.390  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -5.397   2.580   1.639  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -5.375   2.401   0.123  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1       -6.249   1.238  -0.342  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  C   LIG    1        1.444  -0.759   0.447  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        2.567  -0.346  -0.238  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1        2.911   0.900   0.241  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1        1.996   1.331   1.150  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        1.140   0.318   1.292  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.011   1.746  -0.107  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        5.195   1.293  -0.728  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1        6.188   2.235  -1.066  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1        7.669   1.776  -1.843  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        6.027   3.593  -0.776  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        4.879   4.032  -0.131  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        3.882   3.118   0.205  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1        5.479  -0.096  -0.946  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        5.693  -1.226  -1.109  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   2  20
TORSDOF 6