REMARK Name = BDB026136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.120 -1.076 0.092 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.580 0.151 0.205 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.977 0.171 0.273 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.721 -1.022 0.233 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.007 -2.226 0.128 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.664 -3.397 0.072 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.615 -2.262 0.059 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.749 -2.664 -2.159 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.514 -1.254 -1.593 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.280 -0.970 -0.368 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.722 -0.926 -0.534 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.777 -1.633 0.857 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.588 -2.848 1.328 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.268 -2.027 0.790 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.529 -1.038 -0.010 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.982 -0.973 -1.428 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 4.195 -0.996 0.301 0.00 0.00 -0.012 A ATOM 18 C LIG 1 4.943 -0.125 -0.510 0.00 0.00 +0.047 A ATOM 19 C LIG 1 6.337 -0.100 -0.445 0.00 0.00 +0.136 A ATOM 20 F LIG 1 6.991 0.731 -1.269 0.00 0.00 -0.205 F ATOM 21 C LIG 1 7.024 -0.943 0.425 0.00 0.00 +0.072 A ATOM 22 C LIG 1 6.299 -1.812 1.248 0.00 0.00 +0.016 A ATOM 23 C LIG 1 4.901 -1.835 1.183 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 8.501 -0.894 0.486 0.00 0.00 +0.244 C ATOM 25 O LIG 1 9.134 0.141 0.340 0.00 0.00 -0.270 OA ATOM 26 N LIG 1 9.144 -2.083 0.710 0.00 0.00 -0.325 N ATOM 27 H LIG 1 10.152 -2.058 0.621 0.00 0.00 +0.145 HD ATOM 28 H LIG 1 8.687 -2.973 0.570 0.00 0.00 +0.145 HD ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -0.230 1.303 0.273 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -1.223 1.072 0.248 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.154 2.618 0.294 0.00 0.00 +0.250 C ATOM 32 O LIG 1 1.292 3.066 0.224 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.003 3.562 0.354 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -1.191 4.608 -0.647 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -2.230 5.458 -0.530 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -3.177 5.342 0.606 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.126 6.105 0.727 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.916 4.331 1.499 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.559 4.259 2.279 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.856 3.465 1.388 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -0.226 4.672 -1.796 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -0.569 5.656 -2.676 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -0.262 3.515 -2.513 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6