REMARK  Name = BDB002379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010  -0.823  -0.755  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.070  -1.833  -0.729  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.321  -1.538  -1.058  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.901  -2.887  -1.485  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.091  -3.889  -0.668  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.296  -3.263  -0.613  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        0.678   0.309  -1.120  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.090  -0.989   0.171  0.00  0.00    +0.238 C 
ATOM      9  N   LIG    1       -3.100  -0.107  -0.192  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -3.088   0.191  -1.155  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -1.843  -1.387   1.307  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.069   0.514   0.642  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -4.985   1.457   0.070  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -5.958   2.046   0.915  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.859   2.961   0.364  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -6.877   3.343  -0.931  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -5.947   2.787  -1.725  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -6.016   1.720   2.277  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -5.118   0.811   2.819  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -5.007   1.863  -1.286  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -4.156   0.212   2.008  0.00  0.00    +0.024 A 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        2.481  -1.166  -0.367  0.00  0.00    +0.162 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.555   1.088  -0.629  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1        3.378  -0.219  -1.057  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1        3.450  -0.351  -2.057  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1        3.116   1.516   0.436  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1        4.316   1.989  -1.641  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        5.635   1.368  -2.106  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1        5.514   3.497  -0.095  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1        4.471   3.366  -1.108  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1        3.579   3.598  -0.655  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1        2.815  -1.331   1.144  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        3.456  -2.696   1.427  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        1.643  -1.086   2.094  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7