REMARK  Name = BDB023997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.119   4.620   2.989  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.980   4.272   1.800  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.695   3.086   1.134  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.444   2.333   1.370  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.565   0.949   0.843  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.683  -0.157   0.930  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.178  -1.219   0.276  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.365  -0.807  -0.214  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -2.624   0.496   0.086  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.798   1.321  -0.289  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.427   2.809  -0.120  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.900   5.020   1.468  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.612  -0.220   1.598  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        1.806  -0.438   0.881  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        1.829  -0.646  -0.614  0.00  0.00    +0.132 C 
ATOM     16  C   LIG    1        3.137  -0.275  -1.300  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1        4.285  -0.217  -0.511  0.00  0.00    -0.294 N 
ATOM     18  C   LIG    1        4.272  -0.846   0.803  0.00  0.00    +0.143 C 
ATOM     19  O   LIG    1        3.146  -0.058  -2.513  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.023  -0.524   1.575  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        3.051  -0.379   2.968  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.873  -0.144   3.673  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.659  -0.069   2.992  0.00  0.00    +0.010 A 
BRANCH  17  24
ATOM     24  C   LIG    1        5.603   0.019  -1.126  0.00  0.00    +0.070 C 
ATOM     25  C   LIG    1        6.036  -1.129  -2.039  0.00  0.00    +0.028 C 
ATOM     26  C   LIG    1        5.690   1.370  -1.840  0.00  0.00    +0.028 C 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.188  -1.730  -0.985  0.00  0.00    +0.112 C 
ATOM     28  C   LIG    1       -3.522  -3.005  -0.204  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -4.343  -3.943  -1.075  0.00  0.00    +0.162 C 
ATOM     30  O   LIG    1       -3.657  -4.233  -2.292  0.00  0.00    -0.380 OA
ATOM     31  C   LIG    1       -3.416  -3.070  -3.081  0.00  0.00    +0.162 C 
ATOM     32  C   LIG    1       -2.544  -2.076  -2.330  0.00  0.00    +0.055 C 
ENDBRANCH   8  27
TORSDOF 3