REMARK Name = BDB018995 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.188 -1.564 -0.947 0.00 0.00 -0.300 N ATOM 2 C LIG 1 1.463 -1.017 -0.667 0.00 0.00 +0.038 A ATOM 3 C LIG 1 2.604 -1.834 -0.570 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.863 -1.268 -0.302 0.00 0.00 +0.014 A ATOM 5 C LIG 1 4.016 0.113 -0.115 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.892 0.947 -0.207 0.00 0.00 +0.027 A ATOM 7 C LIG 1 2.519 -3.322 -0.791 0.00 0.00 +0.038 C ATOM 8 C LIG 1 1.093 -3.828 -0.654 0.00 0.00 +0.024 C ATOM 9 C LIG 1 1.639 0.367 -0.492 0.00 0.00 +0.033 A ATOM 10 C LIG 1 0.158 -2.940 -1.462 0.00 0.00 +0.111 C ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 -3.203 1.007 1.754 0.00 0.00 +0.062 A ATOM 12 C LIG 1 -2.650 0.292 0.637 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -3.608 0.242 -0.392 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -3.325 -0.369 -1.647 0.00 0.00 -0.019 A ATOM 15 C LIG 1 -2.045 -0.974 -1.767 0.00 0.00 +0.029 A ATOM 16 C LIG 1 -1.072 -0.954 -0.765 0.00 0.00 +0.035 A ATOM 17 N LIG 1 -4.735 0.863 0.125 0.00 0.00 -0.349 N ATOM 18 C LIG 1 -6.033 0.987 -0.501 0.00 0.00 +0.149 C ATOM 19 C LIG 1 -1.388 -0.307 0.431 0.00 0.00 +0.034 A ATOM 20 C LIG 1 -4.491 1.342 1.388 0.00 0.00 +0.099 A BRANCH 11 24 ATOM 21 C LIG 1 -2.538 2.788 4.980 0.00 0.00 +0.128 C ATOM 22 N LIG 1 -3.154 2.296 3.776 0.00 0.00 -0.314 N ATOM 23 H LIG 1 -3.830 2.881 3.310 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -2.548 1.303 3.030 0.00 0.00 +0.246 C ATOM 25 O LIG 1 -1.527 0.733 3.404 0.00 0.00 -0.270 OA ENDBRANCH 11 24 BRANCH 14 26 ATOM 26 C LIG 1 -4.274 -0.439 -2.838 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -4.893 -1.833 -2.953 0.00 0.00 +0.012 C ATOM 28 C LIG 1 -3.622 -0.021 -4.163 0.00 0.00 +0.012 C ENDBRANCH 14 26 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 5.339 0.628 0.171 0.00 0.00 +0.020 A ATOM 30 C LIG 1 6.077 0.289 1.285 0.00 0.00 +0.116 A ATOM 31 N LIG 1 7.249 0.981 1.185 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.352 0.962 2.115 0.00 0.00 +0.172 C ATOM 33 N LIG 1 7.326 1.750 0.083 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 6.164 1.528 -0.538 0.00 0.00 +0.142 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.986 2.439 -0.019 0.00 0.00 +0.372 C ATOM 36 F LIG 1 3.592 3.058 -1.072 0.00 0.00 -0.204 F ATOM 37 F LIG 1 1.771 3.051 0.104 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 5