REMARK Name = BDB058258 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.902 -0.075 0.149 0.00 0.00 +0.003 A ATOM 2 C LIG 1 4.965 0.978 -0.772 0.00 0.00 +0.015 A ATOM 3 C LIG 1 3.882 1.834 -0.866 0.00 0.00 -0.023 A ATOM 4 C LIG 1 3.687 3.016 -1.758 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.528 3.745 -1.051 0.00 0.00 +0.046 C ATOM 6 C LIG 1 1.703 2.650 -0.358 0.00 0.00 +0.155 C ATOM 7 C LIG 1 0.565 2.131 -1.236 0.00 0.00 +0.253 C ATOM 8 O LIG 1 0.664 1.733 -2.390 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.589 2.213 -0.508 0.00 0.00 -0.215 N ATOM 10 C LIG 1 -0.336 2.696 0.737 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -1.124 2.777 1.664 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 0.980 3.102 0.804 0.00 0.00 -0.280 N ATOM 13 H LIG 1 1.399 3.122 1.725 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 2.762 1.614 -0.072 0.00 0.00 +0.077 A ATOM 15 N LIG 1 2.664 0.641 0.849 0.00 0.00 -0.256 NA ATOM 16 C LIG 1 3.739 -0.187 0.927 0.00 0.00 +0.119 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 7.577 -4.160 1.059 0.00 0.00 +0.172 C ATOM 18 N LIG 1 7.174 -2.823 0.697 0.00 0.00 -0.274 N ATOM 19 N LIG 1 8.099 -1.945 0.272 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 7.389 -0.842 0.022 0.00 0.00 +0.143 A ATOM 21 C LIG 1 6.010 -1.002 0.292 0.00 0.00 +0.021 A ATOM 22 C LIG 1 5.909 -2.308 0.728 0.00 0.00 +0.116 A ENDBRANCH 1 21 BRANCH 9 23 ATOM 23 C LIG 1 -1.874 1.706 -0.935 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.024 0.232 -0.557 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.285 -0.361 -0.605 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -4.581 0.241 -1.042 0.00 0.00 +0.218 C ATOM 27 C LIG 1 -5.271 0.958 0.125 0.00 0.00 +0.260 C ATOM 28 O LIG 1 -5.037 0.341 1.404 0.00 0.00 -0.489 OA ATOM 29 C LIG 1 -5.403 -0.976 1.437 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -4.658 -1.972 0.783 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -5.082 -3.305 0.916 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -6.209 -3.615 1.674 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -6.930 -2.623 2.326 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -6.597 -4.891 1.783 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -6.518 -1.297 2.216 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -3.388 -1.695 0.000 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -1.031 -0.432 -0.242 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.650 1.090 -2.314 0.00 0.00 +0.411 C ATOM 39 F LIG 1 -5.930 1.186 -2.747 0.00 0.00 -0.168 F ATOM 40 F LIG 1 -3.927 0.541 -3.312 0.00 0.00 -0.168 F ATOM 41 F LIG 1 -4.206 2.349 -2.124 0.00 0.00 -0.168 F ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4