REMARK Name = BDB005656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.294 -4.793 0.838 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -0.342 -3.619 0.164 0.00 0.00 +0.009 A ATOM 3 C LIG 1 0.320 -2.398 -0.023 0.00 0.00 +0.098 A ATOM 4 N LIG 1 1.597 -2.077 0.356 0.00 0.00 -0.225 NA ATOM 5 C LIG 1 1.815 -0.829 -0.022 0.00 0.00 +0.161 A ATOM 6 N LIG 1 0.704 -0.351 -0.704 0.00 0.00 -0.315 N ATOM 7 C LIG 1 -0.294 -1.319 -0.653 0.00 0.00 +0.110 A ATOM 8 C LIG 1 -1.621 -1.381 -1.100 0.00 0.00 +0.146 A ATOM 9 N LIG 1 -2.251 -2.569 -0.961 0.00 0.00 -0.223 NA ATOM 10 CA LIG 1 -1.631 -3.627 -0.352 0.00 0.00 +0.155 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 3.066 -0.103 0.251 0.00 0.00 +0.106 A ATOM 12 N LIG 1 3.020 1.246 0.171 0.00 0.00 -0.252 NA ATOM 13 C LIG 1 4.157 1.919 0.454 0.00 0.00 +0.112 A ATOM 14 C LIG 1 5.348 1.310 0.816 0.00 0.00 +0.023 A ATOM 15 C LIG 1 5.392 -0.083 0.904 0.00 0.00 -0.041 A ATOM 16 C LIG 1 4.220 -0.794 0.617 0.00 0.00 +0.035 A BRANCH 15 17 ATOM 17 C LIG 1 6.652 -0.828 1.303 0.00 0.00 +0.013 C ATOM 18 C LIG 1 7.781 -0.599 0.294 0.00 0.00 +0.012 C ATOM 19 C LIG 1 7.101 -0.455 2.717 0.00 0.00 +0.012 C ENDBRANCH 15 17 ENDBRANCH 5 11 BRANCH 8 20 ATOM 20 N LIG 1 -2.292 -0.310 -1.668 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -1.946 0.579 -1.327 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.755 -0.332 -1.733 0.00 0.00 +0.072 C ATOM 23 C LIG 1 -4.169 0.565 -2.905 0.00 0.00 +0.028 C BRANCH 22 24 ATOM 24 C LIG 1 -4.367 0.220 -0.442 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -5.915 0.152 -0.304 0.00 0.00 +0.005 C ATOM 26 C LIG 1 -5.696 -0.088 1.203 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -4.321 -0.676 0.830 0.00 0.00 +0.005 C ENDBRANCH 22 24 ENDBRANCH 20 22 ENDBRANCH 8 20 BRANCH 10 28 ATOM 28 C LIG 1 -2.519 -4.841 -0.287 0.00 0.00 +0.356 C ATOM 29 O LIG 1 -2.253 -5.915 0.217 0.00 0.00 -0.243 OA BRANCH 28 30 ATOM 30 OXT LIG 1 -3.708 -4.569 -0.889 0.00 0.00 -0.476 OA ATOM 31 HXT LIG 1 -3.670 -3.640 -1.222 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 10 28 BRANCH 6 32 ATOM 32 C LIG 1 0.655 0.870 -1.506 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.089 2.020 -0.858 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.150 2.208 0.530 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.859 3.282 1.075 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -1.518 4.200 0.247 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.431 4.035 -1.142 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.722 2.962 -1.686 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -2.264 5.370 0.840 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -2.839 5.082 2.040 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -1.457 6.444 1.057 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.275 5.816 0.043 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 10