REMARK Name = BDB025832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.211 -0.102 0.579 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.104 0.781 0.473 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.276 2.168 0.593 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.538 2.728 0.854 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -2.609 1.838 1.005 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -3.841 2.306 1.258 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.454 0.456 0.880 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.959 -1.408 -2.212 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -2.032 -2.521 -1.701 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -2.687 -3.552 -0.861 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -3.857 -4.160 -1.483 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.001 -3.035 0.484 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -1.769 -2.449 1.209 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -1.019 -1.476 0.391 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -0.773 -1.928 -1.002 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 -1.714 4.183 0.977 0.00 0.00 +0.021 A ATOM 17 C LIG 1 -1.107 5.096 0.126 0.00 0.00 +0.124 A ATOM 18 N LIG 1 -1.244 6.439 0.208 0.00 0.00 -0.226 NA ATOM 19 C LIG 1 -2.034 6.886 1.202 0.00 0.00 +0.232 A ATOM 20 N LIG 1 -2.679 6.112 2.093 0.00 0.00 -0.226 NA ATOM 21 C LIG 1 -2.501 4.779 1.952 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 C LIG 1 -2.202 8.311 1.319 0.00 0.00 +0.140 C ATOM 23 N LIG 1 -2.339 9.463 1.414 0.00 0.00 -0.188 NA ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 24 ATOM 24 N LIG 1 1.161 0.172 0.314 0.00 0.00 -0.280 N ATOM 25 H LIG 1 1.110 -0.845 0.383 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 2.383 0.770 0.141 0.00 0.00 +0.250 C ATOM 27 O LIG 1 2.616 1.968 0.040 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.499 -0.214 0.037 0.00 0.00 +0.062 A ATOM 29 C LIG 1 3.908 -1.095 1.121 0.00 0.00 +0.036 A ATOM 30 C LIG 1 4.939 -1.936 0.922 0.00 0.00 +0.080 A ATOM 31 C LIG 1 5.665 -1.983 -0.375 0.00 0.00 +0.252 A ATOM 32 O LIG 1 6.588 -2.780 -0.513 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 5.224 -1.089 -1.347 0.00 0.00 -0.318 N ATOM 34 C LIG 1 5.899 -1.048 -2.635 0.00 0.00 +0.152 C ATOM 35 C LIG 1 4.165 -0.223 -1.128 0.00 0.00 +0.102 A BRANCH 29 36 ATOM 36 C LIG 1 3.193 -1.011 2.436 0.00 0.00 +0.372 C ATOM 37 F LIG 1 3.825 -1.736 3.399 0.00 0.00 -0.204 F ATOM 38 F LIG 1 1.949 -1.550 2.328 0.00 0.00 -0.204 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 6