REMARK  Name = BDB065105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.585   0.311   0.633  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.240   1.040  -0.367  0.00  0.00    +0.164 A 
ATOM      3  C   LIG    1       -0.774   0.934  -1.685  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.298   0.125  -2.041  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.950  -0.628  -1.046  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.037  -1.447  -1.451  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.420  -1.462  -2.791  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        1.709  -0.687  -3.687  0.00  0.00    +0.142 A 
ATOM      9  N   LIG    1        0.665   0.098  -3.332  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        0.485  -0.523   0.282  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -1.647   1.307   2.537  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -0.864   0.262   1.974  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   8  13
ATOM     13  C   LIG    1        2.057  -0.674  -5.080  0.00  0.00    +0.119 C 
ATOM     14  N   LIG    1        2.365  -0.685  -6.201  0.00  0.00    -0.189 NA
ENDBRANCH   8  13
BRANCH   6  15
ATOM     15  N   LIG    1        2.803  -2.227  -0.545  0.00  0.00    -0.340 N 
ATOM     16  H   LIG    1        2.156  -2.664   0.114  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.827  -1.454   0.198  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        5.077  -1.234  -0.658  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.168  -0.532   0.141  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1        6.463  -1.209   1.401  0.00  0.00    -0.302 N 
ATOM     21  C   LIG    1        7.740  -1.019   1.931  0.00  0.00    +0.212 C 
ATOM     22  O   LIG    1        8.620  -0.393   1.341  0.00  0.00    -0.276 OA
ATOM     23  C   LIG    1        8.023  -1.627   3.282  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1        5.310  -1.537   2.237  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        4.214  -2.247   1.453  0.00  0.00    +0.041 C 
ENDBRANCH  15  17
ENDBRANCH   6  15
BRANCH   2  26
ATOM     26  O   LIG    1       -2.306   1.811  -0.002  0.00  0.00    -0.488 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.149   2.415  -0.984  0.00  0.00    +0.230 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.152   1.423  -1.575  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.063   0.775  -0.521  0.00  0.00    +0.087 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -5.900   1.757   0.191  0.00  0.00    -0.302 NA
ATOM     31  C   LIG    1       -7.051   2.207  -0.610  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1       -8.155   1.181  -0.390  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -7.775   0.455   0.893  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -6.523   1.162   1.385  0.00  0.00    +0.084 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   2  26
TORSDOF 9