REMARK Name = BDB034567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.440 -0.683 -0.225 0.00 0.00 +0.267 C ATOM 2 N LIG 1 -0.513 0.550 -0.854 0.00 0.00 -0.280 N ATOM 3 H LIG 1 0.276 0.797 -1.442 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.268 -1.217 0.497 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 3.063 -1.914 0.266 0.00 0.00 -0.026 A ATOM 6 C LIG 1 3.269 -2.483 -1.003 0.00 0.00 +0.037 A ATOM 7 C LIG 1 2.260 -2.437 -1.967 0.00 0.00 +0.145 A ATOM 8 N LIG 1 1.060 -1.842 -1.720 0.00 0.00 -0.238 NA ATOM 9 C LIG 1 0.858 -1.368 -0.462 0.00 0.00 +0.127 A ATOM 10 C LIG 1 1.807 -1.373 0.552 0.00 0.00 +0.038 A BRANCH 7 11 ATOM 11 C LIG 1 2.512 -3.110 -3.317 0.00 0.00 +0.434 C ATOM 12 F LIG 1 1.489 -2.976 -4.207 0.00 0.00 -0.164 F ATOM 13 F LIG 1 2.722 -4.457 -3.189 0.00 0.00 -0.164 F ATOM 14 F LIG 1 3.619 -2.617 -3.952 0.00 0.00 -0.164 F ENDBRANCH 7 11 BRANCH 5 16 ATOM 15 C LIG 1 4.439 -3.240 1.859 0.00 0.00 +0.029 C ATOM 16 C LIG 1 4.195 -1.835 1.289 0.00 0.00 +0.084 C BRANCH 16 17 ATOM 17 N LIG 1 5.405 -1.252 0.679 0.00 0.00 -0.295 NA ATOM 18 C LIG 1 5.198 0.138 0.228 0.00 0.00 +0.092 C ATOM 19 C LIG 1 6.617 0.622 0.054 0.00 0.00 -0.015 C ATOM 20 C LIG 1 6.929 2.096 -0.079 0.00 0.00 +0.009 C ATOM 21 C LIG 1 7.046 1.200 -1.278 0.00 0.00 +0.009 C ATOM 22 C LIG 1 7.540 -0.291 0.808 0.00 0.00 +0.023 C ATOM 23 C LIG 1 6.571 -1.187 1.579 0.00 0.00 +0.085 C ENDBRANCH 16 17 ENDBRANCH 5 16 ENDBRANCH 1 9 BRANCH 2 24 ATOM 24 C LIG 1 -1.560 1.488 -0.790 0.00 0.00 +0.034 A ATOM 25 C LIG 1 -2.751 1.272 -0.088 0.00 0.00 +0.027 A ATOM 26 C LIG 1 -3.791 2.233 -0.040 0.00 0.00 -0.035 A ATOM 27 C LIG 1 -3.564 3.438 -0.742 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -2.381 3.671 -1.447 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.385 2.698 -1.474 0.00 0.00 +0.023 A BRANCH 26 30 ATOM 30 C LIG 1 -5.199 1.915 0.718 0.00 0.00 +0.049 C ATOM 31 C LIG 1 -5.814 3.064 1.576 0.00 0.00 +0.174 C ATOM 32 O LIG 1 -5.309 2.471 2.800 0.00 0.00 -0.378 OA ATOM 33 C LIG 1 -5.088 1.214 2.109 0.00 0.00 +0.174 C BRANCH 30 34 ATOM 34 C LIG 1 -6.136 1.295 -0.338 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 -7.416 0.717 0.155 0.00 0.00 +0.134 A ATOM 36 N LIG 1 -7.666 -0.623 0.313 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -6.765 -1.720 0.078 0.00 0.00 +0.151 C ATOM 38 C LIG 1 -8.958 -0.720 0.726 0.00 0.00 +0.224 A ATOM 39 N LIG 1 -9.482 0.476 0.816 0.00 0.00 -0.138 NA ATOM 40 N LIG 1 -8.521 1.380 0.428 0.00 0.00 -0.135 NA ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 26 30 ENDBRANCH 2 24 TORSDOF 8