REMARK  Name = BDB000198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.349  -1.002  -1.276  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1        0.958  -1.224  -0.663  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.603  -0.183  -0.032  0.00  0.00    +0.237 C 
ATOM      4  O   LIG    1        1.121   0.957  -0.026  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1        1.567  -2.454  -1.141  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1        0.787  -2.787  -2.405  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.610  -2.267  -2.100  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -2.642  -0.326  -0.733  0.00  0.00    -0.302 N 
ATOM      9  H   LIG    1       -2.789  -0.360  -1.734  0.00  0.00    +0.150 HD
ATOM     10  C   LIG    1       -1.461  -0.831  -0.224  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1       -1.354  -1.180   0.952  0.00  0.00    -0.274 OA
BRANCH   8  12
ATOM     12  C   LIG    1       -3.834  -0.204   0.109  0.00  0.00    +0.161 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.444  -1.621   0.147  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -5.201  -2.072  -0.709  0.00  0.00    -0.274 OA
ATOM     15  N   LIG    1       -3.967  -2.418   1.153  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1       -4.199  -3.401   1.088  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -3.041  -2.197   1.520  0.00  0.00    +0.145 HD
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1       -4.822   0.837  -0.464  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -6.046   0.985   0.450  0.00  0.00    +0.010 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -3.516   2.868   0.484  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -4.172   2.216  -0.726  0.00  0.00    +0.002 C 
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  C   LIG    1        2.916  -0.480   0.734  0.00  0.00    +0.162 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.744   0.723   0.609  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1        3.309   1.570   0.957  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1        4.570   0.878  -0.486  0.00  0.00    +0.230 C 
ATOM     26  O   LIG    1        4.824  -0.037  -1.269  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.168   2.295  -0.637  0.00  0.00    +0.135 C 
ATOM     28  C   LIG    1        4.106   3.284  -1.099  0.00  0.00    +0.033 C 
BRANCH  27  29
ATOM     29  N   LIG    1        6.276   2.270  -1.613  0.00  0.00    -0.320 NA
ATOM     30  H   LIG    1        5.906   1.885  -2.486  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        6.942   1.557  -1.306  0.00  0.00    +0.119 HD
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  22  23
BRANCH  22  32
ATOM     32  C   LIG    1        2.684  -0.835   2.222  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        1.836   0.189   2.984  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        2.081  -2.230   2.391  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   3  22
TORSDOF 10