REMARK Name = BDB065283 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.082 0.222 -0.507 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -0.806 -0.867 -0.016 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -2.134 -0.555 -0.259 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -3.150 -1.449 0.109 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -2.801 -2.661 0.719 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -1.454 -2.963 0.955 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -2.236 0.658 -0.867 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -0.432 -2.077 0.589 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -1.007 1.138 -0.998 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.838 -3.590 1.113 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -3.949 -4.889 0.666 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -3.175 -5.742 -0.257 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -5.045 -5.464 1.230 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -5.681 -4.550 2.048 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -4.956 -3.427 1.974 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.362 -2.230 2.746 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -0.819 2.499 -1.617 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -0.157 3.499 -0.804 0.00 0.00 -0.258 N ATOM 19 C LIG 1 0.589 4.364 -1.639 0.00 0.00 +0.255 C ATOM 20 O LIG 1 1.223 5.359 -1.323 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 0.420 3.890 -3.072 0.00 0.00 +0.254 C ATOM 22 F LIG 1 1.570 3.901 -3.796 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -0.059 2.465 -2.927 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -0.499 3.818 0.546 0.00 0.00 +0.040 A ATOM 25 C LIG 1 0.341 4.625 1.329 0.00 0.00 +0.064 A ATOM 26 C LIG 1 0.017 4.920 2.653 0.00 0.00 +0.160 A ATOM 27 F LIG 1 0.849 5.680 3.378 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -1.146 4.427 3.221 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -1.455 4.710 4.494 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -1.999 3.633 2.471 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -1.677 3.332 1.142 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 4.201 0.071 -0.851 0.00 0.00 +0.118 C ATOM 33 C LIG 1 3.646 1.237 -0.016 0.00 0.00 +0.033 C ATOM 34 C LIG 1 2.142 1.485 -0.220 0.00 0.00 +0.027 C ATOM 35 C LIG 1 1.382 0.194 -0.524 0.00 0.00 +0.089 C ATOM 36 C LIG 1 1.919 -0.510 -1.789 0.00 0.00 +0.027 C ATOM 37 C LIG 1 3.367 -0.127 -2.119 0.00 0.00 +0.033 C BRANCH 32 38 ATOM 38 O LIG 1 4.130 -1.103 -0.030 0.00 0.00 -0.377 OA BRANCH 38 40 ATOM 39 C LIG 1 4.862 -3.304 0.514 0.00 0.00 +0.034 C ATOM 40 C LIG 1 5.040 -2.128 -0.426 0.00 0.00 +0.157 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 1 35 TORSDOF 6