REMARK Name = BDB061632 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.366 0.258 0.284 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -2.994 0.608 1.595 0.00 0.00 +0.097 A ATOM 3 C LIG 1 -1.933 1.511 1.804 0.00 0.00 +0.021 A ATOM 4 C LIG 1 -1.243 2.077 0.727 0.00 0.00 -0.025 A ATOM 5 C LIG 1 -1.615 1.711 -0.569 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.668 0.815 -0.786 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.717 0.016 2.783 0.00 0.00 +0.421 C ATOM 8 F LIG 1 -5.046 0.312 2.806 0.00 0.00 -0.166 F ATOM 9 F LIG 1 -3.616 -1.341 2.853 0.00 0.00 -0.166 F ATOM 10 F LIG 1 -3.233 0.470 3.979 0.00 0.00 -0.166 F ENDBRANCH 2 7 BRANCH 1 11 ATOM 11 O LIG 1 -4.400 -0.621 0.200 0.00 0.00 -0.474 OA BRANCH 11 13 ATOM 12 C LIG 1 -3.979 -2.040 -1.775 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -4.970 -1.159 -1.005 0.00 0.00 +0.200 C ATOM 14 C LIG 1 -5.654 -0.083 -1.855 0.00 0.00 +0.067 C BRANCH 13 15 ATOM 15 C LIG 1 -6.085 -2.094 -0.487 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -6.395 -2.319 0.672 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -6.773 -2.716 -1.473 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -7.426 -3.258 -0.980 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 4 19 ATOM 19 C LIG 1 -0.088 3.022 0.961 0.00 0.00 +0.184 C BRANCH 19 20 ATOM 20 N LIG 1 1.156 2.313 1.137 0.00 0.00 -0.208 N ATOM 21 C LIG 1 2.018 1.910 0.109 0.00 0.00 +0.351 A ATOM 22 O LIG 1 1.877 2.189 -1.073 0.00 0.00 -0.244 OA ATOM 23 N LIG 1 2.998 1.154 0.733 0.00 0.00 -0.250 N ATOM 24 C LIG 1 2.636 1.139 2.037 0.00 0.00 +0.230 A ATOM 25 N LIG 1 1.560 1.795 2.341 0.00 0.00 -0.157 NA BRANCH 23 26 ATOM 26 C LIG 1 4.116 0.516 0.141 0.00 0.00 +0.053 A ATOM 27 C LIG 1 5.015 -0.242 0.909 0.00 0.00 +0.030 A ATOM 28 C LIG 1 6.127 -0.877 0.330 0.00 0.00 +0.048 A ATOM 29 C LIG 1 6.368 -0.768 -1.036 0.00 0.00 +0.130 A ATOM 30 C LIG 1 5.485 -0.019 -1.810 0.00 0.00 +0.048 A ATOM 31 C LIG 1 4.376 0.614 -1.232 0.00 0.00 +0.030 A BRANCH 29 32 ATOM 32 O LIG 1 7.401 -1.326 -1.730 0.00 0.00 -0.406 OA BRANCH 32 33 ATOM 33 C LIG 1 8.341 -2.103 -1.008 0.00 0.00 +0.575 C ATOM 34 F LIG 1 8.963 -1.362 -0.066 0.00 0.00 -0.133 F ATOM 35 F LIG 1 7.748 -3.166 -0.424 0.00 0.00 -0.133 F ATOM 36 F LIG 1 9.277 -2.563 -1.868 0.00 0.00 -0.133 F ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 4 19 TORSDOF 10