REMARK Name = BDB026241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.486 -0.576 -0.439 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.453 0.476 -0.266 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.822 0.205 -0.161 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.305 -1.111 -0.250 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.370 -2.133 -0.452 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.781 -3.408 -0.549 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.001 -1.879 -0.542 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.789 -1.385 2.630 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.149 -1.571 1.244 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.127 -2.043 0.217 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.732 -3.324 0.606 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.450 -2.145 -1.111 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.441 -2.479 -2.241 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.700 -0.844 -1.531 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.854 -0.254 -0.480 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.506 -0.214 0.847 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.744 -1.398 -0.140 0.00 0.00 +0.023 A ATOM 18 C LIG 1 4.475 -1.043 1.005 0.00 0.00 +0.167 A ATOM 19 F LIG 1 3.855 -0.435 2.029 0.00 0.00 -0.202 F ATOM 20 C LIG 1 5.838 -1.313 1.113 0.00 0.00 +0.171 A ATOM 21 F LIG 1 6.488 -0.928 2.221 0.00 0.00 -0.202 F ATOM 22 C LIG 1 6.508 -1.940 0.067 0.00 0.00 +0.074 A ATOM 23 C LIG 1 5.802 -2.312 -1.085 0.00 0.00 +0.017 A ATOM 24 C LIG 1 4.432 -2.041 -1.184 0.00 0.00 +0.012 A BRANCH 22 25 ATOM 25 C LIG 1 7.950 -2.238 0.195 0.00 0.00 +0.244 C ATOM 26 O LIG 1 8.457 -2.580 1.253 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.704 -2.110 -0.940 0.00 0.00 -0.325 N ATOM 28 H LIG 1 8.382 -1.593 -1.746 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 9.706 -2.195 -0.812 0.00 0.00 +0.145 HD ENDBRANCH 22 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.089 1.781 -0.243 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.102 1.773 -0.350 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.580 2.978 -0.204 0.00 0.00 +0.250 C ATOM 33 O LIG 1 1.789 3.162 -0.180 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.342 4.146 -0.266 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -1.197 4.567 0.839 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -1.985 5.650 0.684 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -1.990 6.407 -0.593 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -2.713 7.382 -0.748 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -1.141 5.942 -1.565 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -1.129 6.470 -2.430 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -0.329 4.845 -1.412 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -1.147 3.800 2.123 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.691 2.565 1.980 0.00 0.00 -0.166 F ATOM 44 F LIG 1 0.113 3.637 2.589 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.851 4.410 3.113 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6