REMARK  Name = BDB008615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.188  -0.086  -1.165  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        2.014   1.209  -1.685  0.00  0.00    +0.086 A 
ATOM      3  C   LIG    1        0.736   1.717  -1.810  0.00  0.00    +0.171 A 
ATOM      4  O   LIG    1        0.794   2.978  -2.315  0.00  0.00    -0.354 OA
ATOM      5  N   LIG    1        2.117   3.327  -2.538  0.00  0.00    -0.082 NA
ATOM      6  C   LIG    1       -0.422   1.029  -1.463  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -0.265  -0.280  -0.968  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        2.839   2.263  -2.158  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        4.316   2.291  -2.255  0.00  0.00    +0.070 C 
ATOM     10  C   LIG    1        1.031  -0.818  -0.829  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.526  -1.050  -0.582  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -1.400  -2.581  -0.642  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -2.091  -0.622   0.725  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -3.480  -0.561   0.950  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -3.958  -0.636   2.087  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -4.407  -0.401  -0.276  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.009   0.747  -1.048  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -5.107   1.501  -1.573  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -6.264   0.603  -2.030  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -6.831  -0.217  -0.948  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -7.694   0.205  -0.604  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -5.883  -0.331   0.181  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.228  -0.757   1.893  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -1.315   0.207   3.055  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -0.101   0.204   2.186  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   7  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.469  -0.554  -1.041  0.00  0.00    -0.491 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.673  -1.622  -0.112  0.00  0.00    +0.231 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.170  -1.748   0.165  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.721  -0.536   0.908  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.551   0.676   2.921  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.116  -0.469   2.199  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9