REMARK  Name = BDB016008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635   0.668  -0.026  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.692   0.465  -0.162  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.500   1.532  -0.286  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -0.985   2.831  -0.301  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.387   2.932  -0.157  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.214   1.880  -0.013  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.755  -1.506   0.341  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.911  -0.391   0.195  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.507  -0.515   0.123  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        0.975  -1.813   0.202  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        1.796  -2.932   0.352  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.179  -2.779   0.421  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.653  -2.265   0.004  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.359  -1.680   0.255  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.283  -0.435   0.756  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.967  -0.220   0.852  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.196  -1.324   0.417  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.141  -2.254   0.033  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -1.797   4.021  -0.478  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -1.645   5.197   0.228  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -2.606   6.048  -0.237  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -2.851   7.403   0.194  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -3.379   5.508  -1.196  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -2.879   4.280  -1.350  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.877   1.325  -0.436  0.00  0.00    -0.324 N 
ATOM     26  H   LIG    1       -3.375   1.955   0.192  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.484  -0.005  -0.445  0.00  0.00    +0.089 C 
ATOM     28  C   LIG    1       -3.284  -0.888   0.789  0.00  0.00    +0.131 C 
ATOM     29  N   LIG    1       -3.742  -2.232   0.324  0.00  0.00    -0.180 NA
ATOM     30  C   LIG    1       -3.610  -2.273  -1.162  0.00  0.00    +0.111 C 
ATOM     31  C   LIG    1       -3.058  -0.914  -1.585  0.00  0.00    +0.040 C 
BRANCH  29  32
ATOM     32  S   LIG    1       -3.166  -3.544   1.214  0.00  0.00    +0.029 S 
ATOM     33  O   LIG    1       -3.379  -3.246   2.614  0.00  0.00    -0.158 OA
ATOM     34  O   LIG    1       -1.856  -3.891   0.711  0.00  0.00    -0.158 OA
ATOM     35  C   LIG    1       -4.314  -4.822   0.748  0.00  0.00    +0.215 C 
ENDBRANCH  29  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6