REMARK  Name = BDB063129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.064  -0.613   0.303  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        2.225   0.177   0.907  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.919  -1.744   0.470  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -1.374  -0.705   1.201  0.00  0.00    +0.126 A 
ATOM      5  N   LIG    1       -0.070  -0.338   1.128  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1        0.754  -1.050   0.321  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.277  -2.132  -0.415  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -1.071  -2.490  -0.336  0.00  0.00    +0.018 A 
BRANCH   3  13
ATOM      9  N   LIG    1       -6.504   0.736  -0.167  0.00  0.00    -0.300 NA
ATOM     10  C   LIG    1       -6.653  -0.344   0.835  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -5.703  -1.528   0.574  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1       -4.307  -1.110   0.434  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1       -3.341  -2.104   0.602  0.00  0.00    +0.248 C 
ATOM     14  O   LIG    1       -3.606  -3.271   0.879  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -4.120   0.018  -0.488  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1       -5.092   1.176  -0.195  0.00  0.00    +0.103 C 
BRANCH   9  18
ATOM     17  C   LIG    1       -8.860   1.562  -0.079  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -7.382   1.881   0.120  0.00  0.00    +0.081 C 
ENDBRANCH   9  18
ENDBRANCH   3  13
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1        3.219  -1.013  -0.344  0.00  0.00    +0.221 A 
ATOM     20  N   LIG    1        4.314  -0.289  -0.063  0.00  0.00    -0.214 NA
ATOM     21  C   LIG    1        5.484  -0.627  -0.652  0.00  0.00    +0.076 A 
ATOM     22  C   LIG    1        5.567  -1.681  -1.537  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.400  -2.362  -1.772  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        3.229  -2.051  -1.192  0.00  0.00    -0.223 NA
BRANCH  21  25
ATOM     25  C   LIG    1        6.645   0.212  -0.289  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        6.476   1.589  -0.039  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.569   2.413   0.304  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1        8.836   1.837   0.402  0.00  0.00    +0.039 A 
ATOM     29  S   LIG    1        9.976   3.055   0.833  0.00  0.00    -0.075 S 
ATOM     30  C   LIG    1        8.716   4.214   0.849  0.00  0.00    +0.157 A 
ATOM     31  C   LIG    1        9.045   0.470   0.171  0.00  0.00    +0.018 A 
ATOM     32  N   LIG    1        7.514   3.774   0.559  0.00  0.00    -0.247 NA
ATOM     33  C   LIG    1        7.939  -0.321  -0.171  0.00  0.00    +0.011 A 
ENDBRANCH  21  25
ENDBRANCH   1  19
TORSDOF 5