REMARK  Name = BDB024772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.344  -2.006   0.566  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.739  -0.819   0.117  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.578   0.358  -0.221  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.390   0.115  -1.507  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.805   1.673  -0.413  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.685   1.788   0.594  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.764   0.625   0.376  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.361   0.767   0.434  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.609   1.898   0.647  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.651   1.514   0.614  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.737   0.158   0.380  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        0.541  -0.340   0.261  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.047  -1.617   0.019  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.442  -1.749  -0.030  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.309  -0.660   0.151  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.766  -3.029   0.918  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        7.372  -3.076   1.102  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        6.707  -1.905   0.624  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -1.958  -0.625   0.279  0.00  0.00    +0.139 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.451  -0.720  -1.171  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.753  -1.370  -1.394  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -4.872  -0.565  -0.915  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.791  -2.791  -1.028  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -4.748  -3.632  -1.885  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1       -5.016  -4.838  -1.145  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -4.522  -4.665   0.190  0.00  0.00    +0.161 C 
ATOM     27  C   LIG    1       -4.252  -3.185   0.368  0.00  0.00    +0.049 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  28
ATOM     28  C   LIG    1       -1.839   2.406   0.783  0.00  0.00    +0.097 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.436   3.841   1.108  0.00  0.00    +0.151 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.585   4.727   1.139  0.00  0.00    -0.271 N 
ATOM     31  N   LIG    1       -3.595   4.491   2.001  0.00  0.00    -0.180 NA
ATOM     32  C   LIG    1       -4.454   5.485   1.761  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1       -4.006   6.345   0.743  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -2.793   5.827   0.357  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  10  28
TORSDOF 8