REMARK  Name = BDB019126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.772  -1.147   0.099  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        0.995  -0.001  -0.030  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.305  -0.458  -0.170  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.420   0.392  -0.286  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -1.251   1.685  -0.320  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.038   2.160  -0.208  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.258  -1.824  -0.204  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.159   1.417  -0.060  0.00  0.00    +0.030 A 
ATOM      9  N   LIG    1        0.961  -2.273  -0.024  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.421   2.168   0.010  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.229   2.443  -1.088  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        2.901   1.927  -2.459  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        4.353   3.196  -0.994  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.685   3.663   0.225  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        5.918   4.505   0.331  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1        3.964   3.471   1.342  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1        2.854   2.716   1.206  0.00  0.00    +0.123 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  C   LIG    1        3.216  -1.255   0.324  0.00  0.00    +0.360 C 
ATOM     19  O   LIG    1        3.952  -0.300   0.540  0.00  0.00    -0.243 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.654  -2.549   0.274  0.00  0.00    -0.460 OA
BRANCH  20  22
ATOM     21  C   LIG    1        5.387  -4.186   0.403  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        5.059  -2.709   0.492  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   4  23
ATOM     23  N   LIG    1       -2.689  -0.130  -0.390  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.307   0.622  -0.704  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.317  -0.705   0.799  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.615  -1.361   0.416  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.762  -0.606   0.109  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -6.947  -1.262  -0.248  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -6.997  -2.658  -0.307  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1       -5.862  -3.406  -0.013  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -4.686  -2.756   0.342  0.00  0.00    +0.132 A 
ATOM     32  F   LIG    1       -3.603  -3.496   0.620  0.00  0.00    -0.205 F 
BRANCH  27  33
ATOM     33  O   LIG    1       -5.612   0.754   0.182  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -6.746   1.557  -0.124  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 8