REMARK Name = BDB040233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.247 1.195 -0.591 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.927 1.946 -0.731 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.173 2.932 -1.400 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.937 1.327 0.137 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.252 1.702 0.339 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.023 0.947 1.235 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.446 -0.172 1.882 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.104 -0.542 1.664 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.364 0.235 0.776 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.058 0.093 0.342 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.853 0.772 -1.640 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.597 0.595 -1.010 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.486 1.428 -1.250 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.653 2.480 -2.152 0.00 0.00 +0.023 A ATOM 15 C LIG 1 2.877 2.695 -2.786 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.958 1.854 -2.530 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.122 -0.200 -1.333 0.00 0.00 +0.013 C ATOM 18 C LIG 1 5.961 -0.620 -2.597 0.00 0.00 +0.087 C ATOM 19 C LIG 1 5.948 -2.081 -2.109 0.00 0.00 +0.251 C ATOM 20 F LIG 1 5.675 -3.008 -3.054 0.00 0.00 -0.206 F ATOM 21 F LIG 1 7.048 -2.517 -1.457 0.00 0.00 -0.206 F ATOM 22 C LIG 1 4.764 -1.720 -1.194 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 5.873 0.409 -0.120 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 6.987 -1.625 2.011 0.00 0.00 +0.151 C ATOM 25 N LIG 1 7.742 -0.899 1.027 0.00 0.00 -0.320 N ATOM 26 C LIG 1 7.285 -0.013 0.086 0.00 0.00 +0.134 A ATOM 27 N LIG 1 8.321 0.450 -0.585 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 9.455 -0.155 -0.103 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 9.092 -0.965 0.861 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -1.487 -1.730 2.350 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -2.326 -2.369 3.209 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.062 -2.672 1.464 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.388 -1.389 3.079 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.474 1.303 1.469 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 -6.308 0.737 0.415 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -6.189 -0.274 0.388 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -7.723 1.089 0.565 0.00 0.00 +0.054 C ATOM 38 C LIG 1 -8.485 0.690 -0.703 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -8.759 -0.805 -0.555 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -8.735 -1.087 0.948 0.00 0.00 +0.002 C ATOM 41 C LIG 1 -8.454 0.255 1.621 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8