REMARK  Name = BDB063959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.238   0.826   3.044  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.182   0.562   1.861  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.295   0.301   0.907  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.576   0.325   1.294  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.776   0.079  -0.351  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.511   0.182  -0.198  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.911   0.441   1.067  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.846   0.624   1.390  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.756   0.105   0.442  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.925   0.829   0.730  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.073   0.608  -0.052  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.089  -0.319  -1.096  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.291  -0.429  -1.777  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.164   0.402  -1.256  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        4.917  -1.051  -1.364  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.624   1.352   0.060  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.768  -0.836  -0.591  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.373   0.040  -1.237  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -0.880  -0.198  -2.093  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.724  -0.492  -1.196  0.00  0.00    +0.132 C 
ATOM     21  C   LIG    1       -2.797  -1.899  -0.533  0.00  0.00    +0.143 C 
ATOM     22  C   LIG    1       -4.194  -1.985   0.112  0.00  0.00    +0.069 C 
ATOM     23  C   LIG    1       -4.502  -0.545   0.391  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -5.483  -0.036   1.225  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.627   1.350   1.310  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.809   2.204   0.555  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.832   1.683  -0.294  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -3.678   0.305  -0.357  0.00  0.00    -0.022 A 
BRANCH  21  29
ATOM     29  O   LIG    1       -2.622  -2.943  -1.490  0.00  0.00    -0.389 OA
ATOM     30  H   LIG    1       -1.682  -2.939  -1.746  0.00  0.00    +0.210 HD
ENDBRANCH  21  29
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4