REMARK  Name = BDB034177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.482   0.710  -1.737  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1        0.568   1.300  -2.586  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.956   1.370  -1.921  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        2.280   0.105  -1.170  0.00  0.00    -0.040 C 
ATOM      5  C   LIG    1        1.337  -0.818  -0.917  0.00  0.00    -0.007 C 
ATOM      6  C   LIG    1       -0.099  -0.657  -1.340  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.667  -0.090  -0.731  0.00  0.00    -0.001 A 
ATOM      8  C   LIG    1        4.606  -0.833  -1.461  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.254  -1.487  -2.767  0.00  0.00    +0.066 C 
ATOM     10  N   LIG    1        5.886  -1.008  -1.042  0.00  0.00    -0.247 NA
ATOM     11  C   LIG    1        6.254  -0.432   0.129  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        5.390   0.320   0.914  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        4.079   0.489   0.474  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.676  -0.643   0.555  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.867  -0.881   1.910  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.066  -1.163   2.460  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        9.175  -1.237   2.400  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        8.595  -0.618  -0.255  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.790   1.566  -0.580  0.00  0.00    +0.120 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.748  -0.196   1.150  0.00  0.00    +0.259 C 
ATOM     21  C   LIG    1       -6.876   0.474  -0.234  0.00  0.00    +0.258 C 
ATOM     22  O   LIG    1       -7.926   0.605  -0.858  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.680   0.840  -0.796  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1       -5.699   1.184  -1.746  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1       -4.500   0.845  -0.052  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -4.544   0.579   1.318  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1       -3.379   0.643   2.077  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -2.163   0.951   1.462  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.106   1.210   0.083  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1       -3.292   1.166  -0.668  0.00  0.00    +0.032 A 
ATOM     31  O   LIG    1       -5.709   0.321   1.989  0.00  0.00    -0.478 OA
BRANCH  20  33
ATOM     32  C   LIG    1       -9.113  -1.103   1.503  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -8.054  -0.106   1.953  0.00  0.00    +0.051 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5