REMARK Name = BDB050741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.075 -2.779 -1.141 0.00 0.00 +0.075 A ATOM 2 C LIG 1 1.469 -3.691 -0.171 0.00 0.00 +0.170 A ATOM 3 F LIG 1 0.567 -4.429 0.491 0.00 0.00 -0.202 F ATOM 4 C LIG 1 2.819 -3.826 0.124 0.00 0.00 +0.159 A ATOM 5 F LIG 1 3.216 -4.689 1.068 0.00 0.00 -0.202 F ATOM 6 C LIG 1 3.781 -3.068 -0.545 0.00 0.00 +0.045 A ATOM 7 C LIG 1 3.394 -2.153 -1.533 0.00 0.00 -0.038 A ATOM 8 C LIG 1 2.029 -2.022 -1.833 0.00 0.00 +0.020 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 -0.657 -3.000 -2.638 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.342 -2.645 -1.505 0.00 0.00 +0.250 C ATOM 11 N LIG 1 -1.234 -2.111 -0.576 0.00 0.00 -0.295 N ATOM 12 C LIG 1 -2.598 -1.871 -1.045 0.00 0.00 +0.123 C ATOM 13 C LIG 1 -3.628 -1.759 0.096 0.00 0.00 +0.103 C ATOM 14 N LIG 1 -3.242 -0.920 1.239 0.00 0.00 -0.296 NA ATOM 15 C LIG 1 -1.865 -1.199 1.668 0.00 0.00 +0.103 C ATOM 16 C LIG 1 -0.810 -1.275 0.551 0.00 0.00 +0.123 C BRANCH 14 17 ATOM 17 C LIG 1 -3.635 0.501 1.223 0.00 0.00 +0.057 C ATOM 18 C LIG 1 -3.239 1.274 -0.045 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -3.600 2.760 -0.041 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -5.084 3.007 -0.285 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -5.968 2.959 0.957 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -5.587 1.959 2.041 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -5.149 0.584 1.537 0.00 0.00 +0.019 C ENDBRANCH 14 17 ENDBRANCH 1 10 BRANCH 7 24 ATOM 24 C LIG 1 4.412 -1.302 -2.258 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 4.397 0.142 -1.767 0.00 0.00 +0.074 A ATOM 26 C LIG 1 5.301 0.575 -0.667 0.00 0.00 +0.011 A ATOM 27 C LIG 1 5.192 1.899 -0.243 0.00 0.00 +0.050 A ATOM 28 C LIG 1 5.999 2.388 0.792 0.00 0.00 +0.014 A ATOM 29 C LIG 1 6.924 1.545 1.407 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.043 0.222 0.987 0.00 0.00 +0.001 A ATOM 31 C LIG 1 4.222 2.790 -0.898 0.00 0.00 +0.272 A ATOM 32 O LIG 1 4.092 3.960 -0.553 0.00 0.00 -0.266 OA ATOM 33 N LIG 1 3.481 2.234 -1.911 0.00 0.00 -0.242 N ATOM 34 H LIG 1 2.809 2.835 -2.379 0.00 0.00 +0.192 HD ATOM 35 C LIG 1 6.235 -0.265 -0.046 0.00 0.00 +0.010 A ATOM 36 N LIG 1 3.547 0.946 -2.338 0.00 0.00 -0.175 NA ENDBRANCH 24 25 ENDBRANCH 7 24 TORSDOF 4