REMARK  Name = BDB034280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.726  -1.119  -1.020  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.864  -1.089   0.369  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        1.828  -0.670   1.191  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.600  -0.262   0.614  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -0.436   0.188   1.487  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.204   0.112   2.861  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.030  -0.311   3.317  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        0.467  -0.337  -0.795  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        2.042  -0.685   2.514  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        1.519  -0.767  -1.604  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -1.676   0.584   0.958  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -1.562   1.088   0.082  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.740   1.169   1.774  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.646   0.088   2.366  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.497  -0.635   1.319  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -5.507   0.261   0.749  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -6.158   0.549   1.480  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -6.283  -0.424  -0.288  0.00  0.00    +0.155 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -7.362   0.470  -0.788  0.00  0.00    +0.119 A 
ATOM     20  O   LIG    1       -8.574   0.374  -0.166  0.00  0.00    -0.467 OA
ATOM     21  C   LIG    1       -9.399   1.268  -0.768  0.00  0.00    +0.195 A 
ATOM     22  C   LIG    1       -8.735   1.942  -1.766  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -7.416   1.429  -1.779  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  24
ATOM     24  O   LIG    1        3.720  -1.567  -1.859  0.00  0.00    -0.456 OA
BRANCH  24  28
ATOM     25  C   LIG    1        7.632  -0.203  -1.346  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        6.576   0.714  -1.333  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.257   0.285  -1.495  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        4.989  -1.074  -1.657  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        6.038  -1.992  -1.694  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        7.358  -1.559  -1.531  0.00  0.00    +0.049 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.977  -0.541  -1.153  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        8.871   0.352  -1.176  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH   1  24
TORSDOF 10