REMARK  Name = BDB021485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.638  -0.199   0.141  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        4.015  -1.442   0.252  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.627  -1.617   0.064  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        2.286  -2.927   0.228  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        1.063  -3.364  -0.336  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.104  -2.764   0.415  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.520  -1.516  -0.201  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.332  -0.434  -0.406  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.144   0.652  -0.753  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.823  -0.507  -0.217  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.476   0.746  -0.326  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.857   0.903  -0.154  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.988  -0.218   0.339  0.00  0.00    -0.487 OA
BRANCH  13  19
ATOM     14  O   LIG    1       10.053   3.236  -0.834  0.00  0.00    -0.276 OA
ATOM     15  C   LIG    1        9.076   2.576  -0.494  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        8.037   2.381  -1.363  0.00  0.00    -0.312 N 
ATOM     17  H   LIG    1        8.236   2.725  -2.296  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.080   1.305  -1.222  0.00  0.00    +0.148 C 
ATOM     19  C   LIG    1        6.722   1.004   0.237  0.00  0.00    +0.191 C 
ATOM     20  C   LIG    1        8.036   0.807   1.000  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1        8.900   2.055   0.917  0.00  0.00    +0.099 C 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -1.970  -1.252  -0.236  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.508  -0.756   1.116  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.629  -1.873   2.019  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.536  -2.210   1.865  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.886  -0.062   1.018  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.975  -1.041   0.774  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.365  -1.101  -0.652  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.198   0.063  -1.146  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.940   0.853  -0.251  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -7.727   1.905  -0.739  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.795   2.158  -2.108  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.075   1.366  -2.999  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -6.841   0.613   1.233  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -6.284   0.321  -2.522  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -6.181  -0.733   1.570  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7