REMARK  Name = BDB001512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.786   2.775   1.018  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.686   3.737   0.708  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.145   2.375   0.932  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -3.116   3.302   1.269  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -2.805   4.557   1.623  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -4.419   2.886   1.206  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -4.776   1.642   0.838  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.788   0.787   0.528  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1       -2.485   1.121   0.569  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1       -4.040  -0.522   0.132  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.161  -0.981  -0.059  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.200  -1.285  -0.041  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.067  -2.613  -0.482  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -6.184  -3.430  -0.679  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -7.452  -2.926  -0.435  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -7.618  -1.619   0.001  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -6.494  -0.806   0.195  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -8.517  -3.752  -0.637  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -9.329  -3.265  -0.421  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.817   0.586   0.621  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        2.789   1.966   0.401  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        1.584   2.668   0.529  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        0.388   2.013   0.866  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        0.447   0.639   1.128  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        1.646  -0.071   1.006  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  O   LIG    1        4.253  -1.135   1.275  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        4.075  -0.203   0.500  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1        4.910   0.192  -0.530  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1        4.549   0.891  -1.167  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.175  -0.339  -0.857  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1        6.802   0.163  -2.006  0.00  0.00    +0.025 A 
ATOM     32  C   LIG    1        8.060  -0.307  -2.396  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        8.699  -1.281  -1.634  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       10.247  -1.861  -2.110  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1        8.091  -1.785  -0.489  0.00  0.00    +0.022 A 
ATOM     36  C   LIG    1        6.831  -1.313  -0.101  0.00  0.00    +0.025 A 
ENDBRANCH  28  30
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 7