REMARK Name = BDB064785 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.466 0.686 -1.046 0.00 0.00 -0.326 N ATOM 2 C LIG 1 0.515 0.264 -2.467 0.00 0.00 +0.130 C ATOM 3 C LIG 1 1.990 0.146 -2.999 0.00 0.00 +0.048 C ATOM 4 C LIG 1 1.868 -0.559 -4.373 0.00 0.00 +0.033 C ATOM 5 C LIG 1 2.561 1.564 -3.212 0.00 0.00 +0.033 C ATOM 6 N LIG 1 2.857 -0.637 -2.048 0.00 0.00 -0.289 N ATOM 7 C LIG 1 4.119 -1.085 -2.468 0.00 0.00 +0.250 C ATOM 8 O LIG 1 4.630 -0.824 -3.555 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.662 -0.322 -0.616 0.00 0.00 +0.127 C ATOM 10 C LIG 1 1.192 -0.262 -0.185 0.00 0.00 +0.124 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.702 2.344 0.560 0.00 0.00 +0.131 A ATOM 12 C LIG 1 -3.407 1.956 0.143 0.00 0.00 +0.042 A ATOM 13 C LIG 1 -2.876 0.762 0.669 0.00 0.00 +0.076 A ATOM 14 C LIG 1 -1.605 0.355 0.273 0.00 0.00 +0.051 A ATOM 15 C LIG 1 -0.821 1.077 -0.639 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -1.360 2.262 -1.149 0.00 0.00 +0.024 A ATOM 17 N LIG 1 -3.553 -0.007 1.539 0.00 0.00 -0.255 NA ATOM 18 C LIG 1 -4.783 0.393 1.916 0.00 0.00 +0.115 A ATOM 19 C LIG 1 -2.630 2.699 -0.768 0.00 0.00 +0.015 A ATOM 20 C LIG 1 -5.392 1.548 1.467 0.00 0.00 +0.066 A BRANCH 11 21 ATOM 21 O LIG 1 -5.184 3.514 0.025 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 -6.556 3.866 0.233 0.00 0.00 +0.252 C BRANCH 22 23 ATOM 23 C LIG 1 -7.489 3.101 -0.713 0.00 0.00 +0.188 C BRANCH 23 26 ATOM 24 C LIG 1 -9.454 0.506 0.818 0.00 0.00 +0.095 A ATOM 25 N LIG 1 -8.492 1.097 0.184 0.00 0.00 -0.168 NA ATOM 26 N LIG 1 -8.595 2.459 -0.005 0.00 0.00 -0.226 N ATOM 27 C LIG 1 -9.647 3.231 0.471 0.00 0.00 +0.267 A ATOM 28 O LIG 1 -9.729 4.450 0.353 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 -10.720 2.498 1.178 0.00 0.00 +0.074 A ATOM 30 C LIG 1 -10.650 1.177 1.359 0.00 0.00 +0.035 A BRANCH 24 35 ATOM 31 C LIG 1 -10.207 -4.284 2.055 0.00 0.00 +0.172 C ATOM 32 N LIG 1 -9.660 -3.042 1.563 0.00 0.00 -0.274 N ATOM 33 N LIG 1 -8.462 -3.045 0.962 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 -8.273 -1.765 0.630 0.00 0.00 +0.144 A ATOM 35 C LIG 1 -9.348 -0.925 1.025 0.00 0.00 +0.039 A ATOM 36 C LIG 1 -10.231 -1.802 1.631 0.00 0.00 +0.118 A ENDBRANCH 24 35 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 7 37 ATOM 37 C LIG 1 4.916 -1.937 -1.565 0.00 0.00 +0.072 A ATOM 38 C LIG 1 4.393 -3.116 -1.040 0.00 0.00 +0.135 A ATOM 39 F LIG 1 3.135 -3.494 -1.311 0.00 0.00 -0.205 F ATOM 40 C LIG 1 5.166 -3.921 -0.208 0.00 0.00 +0.039 A ATOM 41 C LIG 1 6.480 -3.552 0.089 0.00 0.00 +0.007 A ATOM 42 C LIG 1 7.032 -2.382 -0.457 0.00 0.00 -0.041 A ATOM 43 C LIG 1 6.241 -1.576 -1.290 0.00 0.00 +0.020 A BRANCH 42 44 ATOM 44 C LIG 1 8.450 -1.974 -0.129 0.00 0.00 +0.093 C BRANCH 44 45 ATOM 45 C LIG 1 8.598 -1.075 1.096 0.00 0.00 +0.074 A ATOM 46 C LIG 1 9.940 -0.505 1.394 0.00 0.00 +0.011 A ATOM 47 C LIG 1 10.055 0.310 2.518 0.00 0.00 +0.050 A ATOM 48 C LIG 1 11.287 0.883 2.861 0.00 0.00 +0.014 A ATOM 49 C LIG 1 12.409 0.636 2.073 0.00 0.00 +0.001 A ATOM 50 C LIG 1 12.301 -0.181 0.948 0.00 0.00 +0.001 A ATOM 51 C LIG 1 8.867 0.560 3.348 0.00 0.00 +0.272 A ATOM 52 O LIG 1 8.922 1.270 4.346 0.00 0.00 -0.266 OA ATOM 53 N LIG 1 7.706 -0.049 2.939 0.00 0.00 -0.242 N ATOM 54 H LIG 1 6.875 0.111 3.499 0.00 0.00 +0.192 HD ATOM 55 C LIG 1 11.072 -0.754 0.607 0.00 0.00 +0.010 A ATOM 56 N LIG 1 7.560 -0.847 1.849 0.00 0.00 -0.175 NA ENDBRANCH 44 45 ENDBRANCH 42 44 ENDBRANCH 7 37 TORSDOF 9