REMARK Name = BDB026055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.101 -0.666 0.352 0.00 0.00 +0.022 A ATOM 2 C LIG 1 0.333 -1.831 0.489 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.934 -3.029 0.561 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.062 -1.806 0.536 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.753 -0.599 0.445 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.996 0.593 0.319 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.404 0.553 0.271 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.155 -0.504 0.449 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.777 -0.587 -0.889 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.183 -2.034 -1.279 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.822 -1.969 -2.676 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.088 -2.652 -0.262 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.466 -4.019 -0.643 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.430 -2.626 1.079 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.373 -3.108 2.196 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.914 -1.215 1.494 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.338 -0.772 0.195 0.00 0.00 +0.218 A ATOM 18 N LIG 1 4.700 -1.569 1.066 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 3.349 -1.520 1.096 0.00 0.00 +0.124 A ATOM 20 C LIG 1 2.570 -0.706 0.297 0.00 0.00 +0.021 A ATOM 21 C LIG 1 3.325 0.069 -0.560 0.00 0.00 +0.124 A ATOM 22 N LIG 1 4.676 0.055 -0.628 0.00 0.00 -0.222 NA BRANCH 17 25 ATOM 23 C LIG 1 7.852 -0.012 -1.885 0.00 0.00 +0.030 C ATOM 24 C LIG 1 7.424 0.329 -0.457 0.00 0.00 +0.099 C ATOM 25 N LIG 1 6.718 -0.825 0.125 0.00 0.00 -0.292 N ATOM 26 C LIG 1 7.407 -1.554 1.191 0.00 0.00 +0.136 C ATOM 27 C LIG 1 8.908 -1.638 0.876 0.00 0.00 +0.179 C ATOM 28 O LIG 1 9.553 -0.373 0.666 0.00 0.00 -0.376 OA ATOM 29 C LIG 1 8.639 0.704 0.423 0.00 0.00 +0.182 C ENDBRANCH 17 25 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.745 1.791 0.282 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.744 1.616 0.376 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.285 3.080 0.191 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.126 3.460 0.104 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.387 4.080 0.251 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.287 4.359 -0.862 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.245 5.295 -0.712 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.390 6.034 0.568 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.265 6.875 0.718 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.487 5.708 1.549 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.573 6.224 2.417 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.503 4.762 1.402 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.098 3.614 -2.145 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.899 4.084 -3.137 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.828 3.682 -2.609 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.407 2.300 -2.002 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6