REMARK  Name = BDB018525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.240  -3.167   0.056  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -1.561  -2.805   0.604  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -2.470  -3.789   0.753  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.217  -5.104   0.401  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -3.273  -6.088   0.587  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.005  -5.506  -0.143  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -0.729  -6.649  -0.494  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.017  -4.441  -0.294  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        2.845  -0.358  -0.429  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        2.232  -0.818  -1.530  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        1.268  -1.746  -1.352  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        0.868  -2.214  -0.118  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        1.553  -1.664   0.945  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        2.531  -0.743   0.814  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1        3.853   0.583  -0.531  0.00  0.00    -0.311 N 
ATOM     16  H   LIG    1        3.968   1.002   0.389  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.696   1.545  -1.610  0.00  0.00    +0.132 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.677   2.709  -1.407  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.358   4.246  -0.142  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        4.481   3.376  -0.153  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  21
ATOM     21  C   LIG    1       -1.880  -1.458   0.981  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -1.680  -0.319   0.234  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -2.087   0.757   1.002  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1       -2.612   0.334   2.171  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -2.474  -0.991   2.163  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -1.967   2.147   0.692  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1       -2.622   3.151   1.447  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1       -2.419   4.501   1.091  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -3.171   5.810   1.944  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -1.598   4.851   0.015  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -0.965   3.863  -0.727  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -1.144   2.522  -0.393  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -3.532   2.871   2.529  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -4.298   2.718   3.389  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   2  21
TORSDOF 8