REMARK  Name = BDB008758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.988  -0.619  -0.219  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1        0.283  -0.930   0.097  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        1.131   0.092   0.327  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        0.772   1.428   0.263  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.548   1.752  -0.059  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -1.438   0.693  -0.301  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.990   3.154  -0.141  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.711   3.640  -1.231  0.00  0.00    +0.119 A 
ATOM      9  N   LIG    1       -2.140   4.920  -1.370  0.00  0.00    -0.250 NA
ATOM     10  C   LIG    1       -1.855   5.797  -0.368  0.00  0.00    +0.144 A 
ATOM     11  C   LIG    1       -1.138   5.402   0.762  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -0.707   4.079   0.871  0.00  0.00    +0.012 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -2.312   7.247  -0.478  0.00  0.00    +0.434 C 
ATOM     14  F   LIG    1       -1.262   8.114  -0.584  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -3.120   7.508  -1.544  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -3.009   7.657   0.623  0.00  0.00    -0.164 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  18
ATOM     17  C   LIG    1       -3.101  -1.789  -0.877  0.00  0.00    +0.235 C 
ATOM     18  N   LIG    1       -1.795  -1.730  -0.443  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1       -1.316  -2.623  -0.369  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1       -3.815  -0.825  -1.137  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -3.617  -3.252  -0.942  0.00  0.00    +0.137 C 
ATOM     22  C   LIG    1       -4.811  -3.354  -1.891  0.00  0.00    +0.034 C 
BRANCH  21  24
ATOM     23  C   LIG    1       -2.758  -5.539  -1.029  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -2.496  -4.140  -1.341  0.00  0.00    -0.309 NA
ATOM     25  H   LIG    1       -2.339  -4.043  -2.346  0.00  0.00    +0.122 HD
ENDBRANCH  21  24
ENDBRANCH  17  21
ENDBRANCH   1  18
BRANCH   3  26
ATOM     26  C   LIG    1        2.465  -0.298   0.649  0.00  0.00    -0.041 C 
ATOM     27  C   LIG    1        3.587  -0.628   0.923  0.00  0.00    -0.060 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.921  -1.028   1.251  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        5.999  -0.196   0.940  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        7.300  -0.589   1.262  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.523  -1.813   1.893  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.448  -2.645   2.203  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.146  -2.253   1.883  0.00  0.00    +0.017 A 
ENDBRANCH  27  28
ENDBRANCH   3  26
TORSDOF 7