REMARK  Name = BDB064677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258   0.005  -1.354  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.176  -0.836  -1.206  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        0.239  -1.598  -0.015  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.312  -2.576  -0.526  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        1.040  -2.684  -2.017  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        0.559  -1.282  -2.383  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.428   0.626  -2.412  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.882  -0.741   1.089  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        1.418   0.446   0.651  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.183   0.762  -0.281  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.021  -1.173   2.232  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.073   1.373   1.541  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.570   1.283   1.374  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.250   2.161   0.518  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.633   2.053   0.350  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.339   1.063   1.030  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        8.041   0.928   0.817  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        5.676   0.178   1.877  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.294   0.286   2.045  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  20
ATOM     20  O   LIG    1        0.001  -3.636  -2.242  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        0.362  -4.518  -2.045  0.00  0.00    +0.210 HD
ENDBRANCH   5  20
BRANCH   1  22
ATOM     22  C   LIG    1       -2.262   0.190  -0.185  0.00  0.00    +0.164 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -2.208   3.964   0.287  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -1.880   2.524   0.576  0.00  0.00    +0.211 C 
ATOM     25  N   LIG    1       -2.581   1.627  -0.192  0.00  0.00    -0.304 N 
ATOM     26  H   LIG    1       -2.915   1.978  -1.084  0.00  0.00    +0.149 HD
ATOM     27  O   LIG    1       -1.048   2.202   1.415  0.00  0.00    -0.276 OA
ENDBRANCH  22  25
BRANCH  22  28
ATOM     28  C   LIG    1       -3.564  -0.668  -0.339  0.00  0.00    -0.011 C 
ATOM     29  C   LIG    1       -4.516  -0.359   0.840  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -4.319  -0.379  -1.653  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -3.253  -2.175  -0.295  0.00  0.00    +0.013 C 
ENDBRANCH  22  28
ENDBRANCH   1  22
TORSDOF 7