REMARK  Name = BDB012608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.220  -0.908  -0.031  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        1.081  -0.564  -0.280  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.714  -0.617   0.949  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.808  -0.995   1.922  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.337  -1.164   1.302  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.122  -0.320   1.215  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.467  -0.168   2.517  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.755   0.106   2.799  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.741   0.243   1.840  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.389   0.087   0.499  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.054  -0.200   0.188  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.360   0.213  -0.573  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        6.039   0.121  -1.905  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        7.147   0.280  -2.616  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        8.152   0.468  -1.751  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        9.088   0.608  -2.114  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        7.714   0.437  -0.460  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.280  -1.008  -1.015  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.987   0.324  -1.275  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.161   0.181   0.052  0.00  0.00    +0.124 A 
ATOM     21  C   LIG    1       -2.887   0.755  -0.136  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -2.426   1.729   0.765  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.220   2.137   1.833  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.481   1.580   2.009  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.951   0.606   1.123  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1       -4.512  -0.774  -0.863  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.777  -1.436  -0.744  0.00  0.00    +0.342 C 
BRANCH  27  29
ATOM     28  F   LIG    1       -8.034  -1.468  -1.427  0.00  0.00    -0.167 F 
ATOM     29  C   LIG    1       -6.913  -0.705  -1.445  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1       -7.221   0.465  -0.849  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1       -6.623  -0.453  -2.741  0.00  0.00    -0.167 F 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8