REMARK Name = BDB040050 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.207 0.427 1.050 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.949 0.205 1.807 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -1.097 -0.132 2.967 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.094 0.465 0.924 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.444 0.378 1.211 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.357 0.680 0.189 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.874 1.052 -1.089 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.494 1.134 -1.364 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.616 0.832 -0.327 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.121 0.824 -0.313 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.987 0.429 1.008 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.627 0.550 0.628 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.550 0.293 1.498 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.858 -0.099 2.801 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.183 -0.236 3.216 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.228 0.020 2.331 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.186 0.723 -0.044 0.00 0.00 +0.080 C ATOM 18 C LIG 1 6.474 1.362 0.540 0.00 0.00 +0.177 C ATOM 19 O LIG 1 6.450 2.422 -0.438 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.104 2.060 -0.829 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 5.410 -0.534 -0.902 0.00 0.00 +0.248 C ATOM 22 F LIG 1 4.234 -0.799 -1.552 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 8.048 -2.206 -0.847 0.00 0.00 +0.151 C ATOM 24 N LIG 1 7.665 -1.248 -1.848 0.00 0.00 -0.318 N ATOM 25 C LIG 1 6.517 -0.496 -1.904 0.00 0.00 +0.168 A ATOM 26 N LIG 1 6.552 0.222 -3.011 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 7.731 -0.041 -3.664 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.389 -0.925 -2.954 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.982 1.522 -2.725 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.146 2.595 -2.674 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.268 0.521 -3.309 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.964 1.850 -3.607 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.848 0.584 0.453 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -6.274 -0.807 0.591 0.00 0.00 -0.288 NA ATOM 35 C LIG 1 -7.700 -0.997 0.806 0.00 0.00 +0.070 C ATOM 36 C LIG 1 -8.136 -1.302 2.208 0.00 0.00 +0.184 C ATOM 37 O LIG 1 -9.257 -0.372 2.066 0.00 0.00 -0.376 OA ATOM 38 C LIG 1 -8.714 0.110 0.797 0.00 0.00 +0.184 C ATOM 39 C LIG 1 -7.762 -2.079 -0.235 0.00 0.00 +0.042 C ATOM 40 C LIG 1 -6.437 -1.457 -0.744 0.00 0.00 +0.087 C ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7