REMARK  Name = BDB031699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.636  -1.076  -1.774  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        1.523  -0.044  -1.414  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.995   1.202  -1.052  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.365   1.481  -1.037  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -0.454   2.845  -0.620  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        0.758   3.384  -0.444  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.252   0.463  -1.432  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        1.601   2.363  -0.662  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        2.594   2.529  -0.552  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.740  -0.793  -1.791  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        2.239  -2.231   2.482  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        1.621  -2.357   1.228  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        2.288  -3.005   0.200  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        1.934  -3.324  -1.226  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        1.161  -2.434  -2.177  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        3.130  -4.096  -1.736  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        4.044  -4.162  -0.699  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        4.930  -4.635  -0.785  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        3.247  -4.560  -2.857  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        0.535  -3.700  -1.623  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        3.564  -3.531   0.450  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.203  -3.428   1.667  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        3.525  -2.764   2.694  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        2.042  -1.440   4.719  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        1.488  -1.570   3.416  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -1.576   3.589  -0.497  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1       -1.386   4.552  -0.236  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -2.827   3.227   0.051  0.00  0.00    +0.166 A 
ATOM     29  C   LIG    1       -3.905   4.121  -0.081  0.00  0.00    +0.160 A 
ATOM     30  C   LIG    1       -5.127   3.826   0.519  0.00  0.00    +0.050 A 
ATOM     31  C   LIG    1       -5.274   2.624   1.196  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -4.184   1.773   1.251  0.00  0.00    +0.113 A 
ATOM     33  N   LIG    1       -2.982   2.047   0.695  0.00  0.00    -0.237 NA
BRANCH  29  34
ATOM     34  O   LIG    1       -3.808   5.328  -0.728  0.00  0.00    -0.492 OA
ATOM     35  C   LIG    1       -3.662   5.146  -2.140  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5