REMARK  Name = BDB018533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.292   2.163   0.143  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.178   2.113   0.055  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.861   3.248   0.313  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.240   4.443   0.631  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.072   5.612   0.877  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.140   4.566   0.700  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.750   5.600   0.953  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.908   3.321   0.447  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.804  -1.195  -0.360  0.00  0.00    +0.217 A 
ATOM     10  N   LIG    1        3.015  -1.125   0.728  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        2.224  -0.041   0.870  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.175   0.999  -0.031  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        3.016   0.844  -1.109  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        3.821  -0.224  -1.292  0.00  0.00    -0.222 NA
BRANCH   9  16
ATOM     15  C   LIG    1        4.254  -3.467   0.248  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1        4.649  -2.294  -0.514  0.00  0.00    -0.306 N 
ATOM     17  C   LIG    1        5.106  -2.518  -1.875  0.00  0.00    +0.132 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -0.881   0.911  -0.290  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.959   0.381   0.386  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.353  -0.757  -0.285  0.00  0.00    -0.238 N 
ATOM     21  N   LIG    1       -1.515  -1.010  -1.327  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -0.657   0.011  -1.342  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.437  -1.651  -0.020  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -4.537  -1.342   0.801  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -5.521  -2.319   1.011  0.00  0.00    +0.143 A 
ATOM     26  F   LIG    1       -6.580  -2.050   1.789  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -5.450  -3.577   0.420  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -4.383  -3.878  -0.415  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.389  -2.923  -0.638  0.00  0.00    +0.029 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -4.785  -0.060   1.386  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -4.972   0.989   1.847  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 5