REMARK  Name = BDB032278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.991   0.336  -0.142  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -1.247   1.298   0.436  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.071   1.355   0.129  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        0.707   0.495  -0.756  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.074  -0.496  -1.345  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.433  -0.572  -1.040  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.372   0.240   0.117  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -3.572  -0.717   0.391  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.869   1.213   1.090  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -7.963  -1.958  -0.059  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -7.692  -0.569   0.302  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -7.333  -0.424   1.719  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.846  -0.163   1.952  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -5.399   1.128   1.243  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -6.147   1.338  -0.087  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -6.722   0.030  -0.627  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        2.176   0.629  -1.040  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.934   0.098   0.083  0.00  0.00    -0.340 N 
ATOM     19  H   LIG    1        2.512  -0.736   0.485  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.327  -0.001   0.006  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.112   0.747  -0.875  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        6.518   0.668  -0.871  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1        7.171  -0.162   0.064  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        8.575  -0.172   0.004  0.00  0.00    +0.119 A 
ATOM     25  N   LIG    1        9.329   0.526  -0.882  0.00  0.00    -0.263 NA
ATOM     26  C   LIG    1        8.660   1.304  -1.751  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.393  -0.906   0.988  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1        7.280   1.409  -1.783  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        4.989  -0.793   0.952  0.00  0.00    +0.029 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.018  -1.820   2.011  0.00  0.00    +0.191 C 
BRANCH  30  31
ATOM     31  O   LIG    1        7.758  -1.053   2.946  0.00  0.00    -0.390 OA
ATOM     32  H   LIG    1        8.072  -1.666   3.632  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8