REMARK  Name = BDB021311
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.542   3.778   1.149  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        0.679   3.234   0.836  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.415   2.102   0.204  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1       -0.950   1.884   0.143  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.518   0.747  -0.453  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.754  -0.142  -1.020  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.611   0.069  -0.972  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        1.260   1.113  -0.400  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1       -1.567   2.970   0.721  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.710   1.184  -0.427  0.00  0.00    +0.098 A 
ATOM     11  N   LIG    1        3.500   0.211  -0.920  0.00  0.00    -0.171 NA
ATOM     12  N   LIG    1        4.753   0.669  -0.758  0.00  0.00    -0.268 N 
ATOM     13  C   LIG    1        4.811   1.900  -0.182  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1        3.505   2.264   0.048  0.00  0.00    +0.049 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.876  -0.136  -1.189  0.00  0.00    +0.175 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.314  -1.143  -0.132  0.00  0.00    +0.140 C 
ATOM     17  O   LIG    1        7.566  -1.747  -0.524  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1        7.516  -3.147  -0.205  0.00  0.00    +0.160 C 
ATOM     19  C   LIG    1        6.266  -3.367   0.619  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        5.347  -2.297   0.086  0.00  0.00    +0.035 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1       -0.773   6.048   2.381  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1       -0.654   5.034   1.827  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -2.884   0.573  -0.465  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.093  -0.137  -1.165  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.554   0.195   0.775  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.037   0.197   0.562  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.724  -0.894   0.038  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.240  -2.246  -0.335  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.471  -2.753  -1.086  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.630  -2.010  -0.645  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.101  -0.850  -0.144  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.853   0.263   0.176  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.183   1.375   0.685  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.795   1.335   0.868  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.185   2.422   1.366  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 7