REMARK  Name = BDB016019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.827   2.256  -0.038  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.149   1.111   0.168  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.186   1.176   0.348  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.864   2.397   0.347  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.073   3.510   0.128  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.258   3.473  -0.073  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.338   0.809  -0.436  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.952   0.919  -0.235  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.287   2.163  -0.248  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.073   3.309  -0.468  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.452   3.219  -0.666  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.081   1.975  -0.649  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.249  -4.054  -0.883  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.382  -2.641  -0.630  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.562  -2.152  -0.211  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.328  -0.842  -0.084  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.000  -0.486  -0.419  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.417  -1.686  -0.774  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.291   2.530   0.576  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.124   3.404  -0.095  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.376   3.204   0.414  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.589   3.885   0.031  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.421   2.256   1.365  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.152   1.855   1.472  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.893  -0.027   0.568  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.690  -0.052  -0.066  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.091  -1.246   0.488  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.961  -2.454   0.812  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -1.300  -3.837   0.591  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1       -2.669  -4.346   0.087  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -3.012  -2.876  -0.246  0.00  0.00    +0.036 C 
BRANCH  30  32
ATOM     32  O   LIG    1       -2.625  -5.251  -1.028  0.00  0.00    -0.392 OA
ATOM     33  H   LIG    1       -3.555  -5.385  -1.280  0.00  0.00    +0.210 HD
ENDBRANCH  30  32
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7