REMARK Name = BDB008357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.256 0.763 -0.801 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.523 1.917 -1.531 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.243 2.261 -2.575 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.590 2.736 -1.181 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.414 2.383 -0.109 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.187 1.197 0.609 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.091 0.393 0.260 0.00 0.00 +0.020 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.465 -0.672 -0.824 0.00 0.00 +0.178 C ATOM 9 N LIG 1 -4.773 0.593 -0.157 0.00 0.00 -0.288 N ATOM 10 C LIG 1 -3.921 1.667 -0.112 0.00 0.00 +0.152 A ATOM 11 N LIG 1 -4.517 2.653 0.520 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -5.761 2.217 0.909 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -2.560 1.669 -0.711 0.00 0.00 +0.184 C ATOM 14 N LIG 1 -2.163 0.317 -1.123 0.00 0.00 -0.287 N ATOM 15 C LIG 1 -0.848 -0.135 -1.177 0.00 0.00 +0.250 C ATOM 16 O LIG 1 -0.547 -1.288 -1.482 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 -5.913 0.966 0.507 0.00 0.00 +0.239 A ATOM 18 C LIG 1 -3.212 -0.515 -1.724 0.00 0.00 +0.150 C BRANCH 17 19 ATOM 19 C LIG 1 -7.083 0.077 0.721 0.00 0.00 +0.452 C ATOM 20 F LIG 1 -6.910 -0.783 1.756 0.00 0.00 -0.163 F ATOM 21 F LIG 1 -8.220 0.775 0.986 0.00 0.00 -0.163 F ATOM 22 F LIG 1 -7.361 -0.678 -0.379 0.00 0.00 -0.163 F ENDBRANCH 17 19 BRANCH 8 24 ATOM 23 C LIG 1 -3.253 -1.726 1.060 0.00 0.00 +0.106 C ATOM 24 N LIG 1 -4.457 -1.708 0.228 0.00 0.00 -0.287 NA ATOM 25 C LIG 1 -4.686 -3.040 -0.338 0.00 0.00 +0.106 C ENDBRANCH 8 24 ENDBRANCH 1 15 BRANCH 6 26 ATOM 26 C LIG 1 3.084 0.804 1.762 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 4.567 0.836 1.415 0.00 0.00 +0.074 A ATOM 28 C LIG 1 5.172 -0.265 0.621 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.531 -0.163 0.327 0.00 0.00 +0.050 A ATOM 30 C LIG 1 7.178 -1.156 -0.420 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.457 -2.258 -0.876 0.00 0.00 +0.001 A ATOM 32 C LIG 1 5.098 -2.366 -0.587 0.00 0.00 +0.001 A ATOM 33 C LIG 1 7.286 1.004 0.812 0.00 0.00 +0.272 A ATOM 34 O LIG 1 8.483 1.134 0.579 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 6.573 1.927 1.535 0.00 0.00 -0.242 N ATOM 36 H LIG 1 7.079 2.737 1.880 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 4.454 -1.375 0.161 0.00 0.00 +0.010 A ATOM 38 N LIG 1 5.249 1.862 1.835 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 5