REMARK  Name = BDB001948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.196  -1.469   0.665  0.00  0.00    -0.206 N 
ATOM      2  H   LIG    1        0.908  -2.014  -0.147  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.332  -1.314   1.747  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.585  -0.658   2.752  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        3.139  -1.030  -0.377  0.00  0.00    +0.142 C 
ATOM      6  N   LIG    1        2.464  -0.971   0.724  0.00  0.00    -0.188 NA
BRANCH   5   9
ATOM      7  C   LIG    1        6.685  -0.132   0.588  0.00  0.00    -0.002 A 
ATOM      8  C   LIG    1        5.395  -0.676   0.643  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        4.526  -0.546  -0.441  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        4.955   0.070  -1.618  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        6.243   0.599  -1.689  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        7.094   0.514  -0.588  0.00  0.00    +0.007 A 
BRANCH   8  13
ATOM     13  O   LIG    1        5.010  -1.363   1.755  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        4.276  -0.835   2.163  0.00  0.00    +0.292 HD
ENDBRANCH   8  13
BRANCH   7  15
ATOM     15  C   LIG    1        7.582  -0.123   1.814  0.00  0.00    +0.065 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.822   0.933   3.980  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.269   1.042   2.720  0.00  0.00    -0.030 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   5   9
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1       -0.996  -2.064   1.542  0.00  0.00    +0.182 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.158  -1.166   1.421  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1       -1.962  -0.104   0.401  0.00  0.00    +0.100 C 
ATOM     21  C   LIG    1       -3.286   0.429  -0.213  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1       -4.075  -0.625  -0.915  0.00  0.00    -0.296 NA
ATOM     23  C   LIG    1       -3.821  -1.961  -0.328  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1       -3.395  -1.928   1.170  0.00  0.00    +0.100 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.516  -0.296  -0.906  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.863   0.984  -1.635  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -5.616   1.126  -3.007  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.953   2.305  -3.674  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.540   3.357  -2.972  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.791   3.227  -1.609  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.455   2.048  -0.940  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 9