REMARK Name = BDB037787 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.509 -2.426 -1.833 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.200 -1.993 -1.586 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.852 -0.712 -1.204 0.00 0.00 +0.027 A ATOM 4 C LIG 1 0.555 -0.647 -1.358 0.00 0.00 +0.083 A ATOM 5 N LIG 1 1.034 -1.823 -1.794 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 -1.858 0.327 -0.869 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -3.179 0.011 -1.593 0.00 0.00 +0.172 C ATOM 8 N LIG 1 0.005 -2.693 -1.603 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -3.546 -1.498 -1.621 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -4.735 -1.842 -1.577 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.939 0.388 0.653 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -1.735 1.632 1.284 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -1.823 1.759 2.671 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -2.120 0.644 3.441 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -2.209 0.765 4.772 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -2.334 -0.593 2.849 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -2.251 -0.721 1.460 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 0.297 -4.048 -1.285 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -0.568 -4.803 -0.481 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.243 -6.121 -0.151 0.00 0.00 +0.002 A ATOM 21 C LIG 1 0.952 -6.682 -0.601 0.00 0.00 +0.000 A ATOM 22 C LIG 1 1.833 -5.923 -1.369 0.00 0.00 +0.002 A ATOM 23 C LIG 1 1.514 -4.605 -1.702 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 -4.338 0.770 -1.118 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -5.115 0.225 -0.762 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.401 2.139 -1.198 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.465 2.827 -1.591 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.666 2.779 -0.746 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.602 4.081 -0.230 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.764 4.737 0.210 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.996 4.074 0.105 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -8.065 2.783 -0.422 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.904 2.135 -0.849 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.679 6.142 0.754 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -5.625 6.317 1.599 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -7.785 6.516 1.457 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -6.530 7.071 -0.230 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -3.261 -3.496 -3.935 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -2.885 -3.689 -2.470 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 1.463 0.543 -1.181 0.00 0.00 +0.142 C BRANCH 40 41 ATOM 41 N LIG 1 2.469 0.319 -0.122 0.00 0.00 -0.296 NA ATOM 42 C LIG 1 1.846 0.282 1.206 0.00 0.00 +0.105 C BRANCH 41 43 ATOM 43 C LIG 1 3.500 1.361 -0.197 0.00 0.00 +0.112 C BRANCH 43 44 ATOM 44 C LIG 1 4.705 1.022 0.629 0.00 0.00 -0.007 C ATOM 45 C LIG 1 5.253 1.855 1.527 0.00 0.00 +0.064 C BRANCH 45 46 ATOM 46 C LIG 1 6.404 1.462 2.373 0.00 0.00 +0.239 C ATOM 47 N LIG 1 7.556 1.062 1.744 0.00 0.00 -0.298 N ATOM 48 C LIG 1 7.872 1.137 0.323 0.00 0.00 +0.108 C ATOM 49 C LIG 1 9.392 1.047 0.268 0.00 0.00 +0.020 C ATOM 50 C LIG 1 9.725 0.192 1.484 0.00 0.00 +0.020 C ATOM 51 C LIG 1 8.723 0.680 2.520 0.00 0.00 +0.108 C ATOM 52 O LIG 1 6.297 1.559 3.593 0.00 0.00 -0.271 OA ENDBRANCH 45 46 ENDBRANCH 43 44 ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 11