REMARK  Name = BDB031752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.282   2.331   0.684  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.167   1.803  -0.617  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.014   1.142  -0.972  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.093   0.994  -0.112  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.079   0.270  -0.863  0.00  0.00    +0.154 A 
ATOM      6  N   LIG    1        1.626  -0.003  -2.091  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        0.995   1.540   1.181  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.399   0.525  -2.127  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -0.134   0.428  -2.983  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.187   2.200   1.554  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.969  -1.492   0.707  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.433  -0.264   1.123  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -4.144   0.904   0.893  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.883   2.352   1.198  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.541   3.052   1.108  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -5.124   3.060   0.705  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.953   2.095   0.159  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.854   2.313  -0.236  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -5.332   4.259   0.782  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.181   2.779   2.455  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.395   0.820   0.265  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.955  -0.369  -0.155  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.223  -1.539   0.071  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.616  -3.839   0.512  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.175  -2.573   0.983  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.281  -0.053  -0.322  0.00  0.00    -0.278 N 
ATOM     27  H   LIG    1        3.442   0.241   0.633  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.323  -0.720  -0.877  0.00  0.00    +0.188 A 
ATOM     29  C   LIG    1        5.514  -0.955  -0.124  0.00  0.00    +0.179 A 
ATOM     30  C   LIG    1        6.360  -1.642  -0.960  0.00  0.00    +0.155 A 
ATOM     31  N   LIG    1        5.668  -1.782  -2.126  0.00  0.00    -0.269 N 
ATOM     32  C   LIG    1        6.120  -2.435  -3.330  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        4.443  -1.239  -2.103  0.00  0.00    -0.152 NA
BRANCH  29  34
ATOM     34  O   LIG    1        5.718  -0.557   1.157  0.00  0.00    -0.490 OA
ATOM     35  C   LIG    1        6.989  -0.907   1.690  0.00  0.00    +0.277 C 
ENDBRANCH  29  34
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5