REMARK Name = BDB055639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.845 -1.852 0.844 0.00 0.00 +0.137 A ATOM 2 C LIG 1 -2.179 -1.355 0.801 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.188 -0.342 -0.161 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -3.342 0.386 -0.489 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -4.530 0.071 0.189 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -4.550 -0.939 1.155 0.00 0.00 +0.016 A ATOM 7 N LIG 1 -0.912 -0.245 -0.672 0.00 0.00 -0.355 N ATOM 8 H LIG 1 -0.651 0.392 -1.415 0.00 0.00 +0.166 HD ATOM 9 C LIG 1 -3.387 -1.656 1.466 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -0.072 -1.153 -0.064 0.00 0.00 +0.062 A ENDROOT BRANCH 10 11 ATOM 11 C LIG 1 1.383 -1.283 -0.399 0.00 0.00 +0.155 C ATOM 12 C LIG 1 2.281 -0.394 0.430 0.00 0.00 -0.008 A ATOM 13 C LIG 1 2.449 -0.350 1.804 0.00 0.00 +0.006 A ATOM 14 C LIG 1 3.371 0.558 2.327 0.00 0.00 +0.001 A ATOM 15 C LIG 1 4.111 1.399 1.477 0.00 0.00 +0.014 A ATOM 16 C LIG 1 3.947 1.357 0.080 0.00 0.00 +0.076 A ATOM 17 C LIG 1 3.027 0.443 -0.407 0.00 0.00 +0.049 A ATOM 18 N LIG 1 2.675 0.197 -1.729 0.00 0.00 -0.284 N ATOM 19 H LIG 1 3.043 0.684 -2.539 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 1.695 -0.784 -1.830 0.00 0.00 +0.231 C ATOM 21 O LIG 1 1.161 -1.132 -2.871 0.00 0.00 -0.274 OA BRANCH 16 22 ATOM 22 C LIG 1 4.766 2.251 -0.803 0.00 0.00 +0.419 C ATOM 23 F LIG 1 4.754 3.549 -0.391 0.00 0.00 -0.166 F ATOM 24 F LIG 1 6.076 1.884 -0.843 0.00 0.00 -0.166 F ATOM 25 F LIG 1 4.347 2.273 -2.102 0.00 0.00 -0.166 F ENDBRANCH 16 22 ENDBRANCH 10 11 BRANCH 1 27 ATOM 26 O LIG 1 -0.975 -3.190 2.695 0.00 0.00 -0.143 OA ATOM 27 N LIG 1 -0.314 -2.933 1.684 0.00 0.00 -0.028 NA ENDBRANCH 1 27 BRANCH 5 28 ATOM 28 C LIG 1 -5.797 0.790 -0.094 0.00 0.00 +0.337 C ATOM 29 O LIG 1 -6.871 0.583 0.440 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.661 1.742 -1.035 0.00 0.00 -0.477 OA ATOM 31 H LIG 1 -6.562 2.120 -1.114 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 5