REMARK Name = BDB047480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.154 1.153 1.514 0.00 0.00 +0.147 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.581 -0.201 1.091 0.00 0.00 -0.314 N ATOM 3 C LIG 1 -2.227 -1.254 2.050 0.00 0.00 +0.131 C BRANCH 2 4 ATOM 4 C LIG 1 -3.785 -0.346 0.379 0.00 0.00 +0.130 C ATOM 5 C LIG 1 -3.981 0.527 -0.826 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -5.122 1.321 -0.994 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -5.198 2.181 -2.098 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -4.158 2.235 -3.029 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -3.034 1.427 -2.870 0.00 0.00 +0.001 A ATOM 10 S LIG 1 -6.513 1.240 0.121 0.00 0.00 -0.087 S ATOM 11 C LIG 1 -6.855 -0.503 -0.105 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.887 -1.489 0.167 0.00 0.00 +0.080 A ATOM 13 C LIG 1 -6.212 -2.829 -0.078 0.00 0.00 +0.029 A ATOM 14 C LIG 1 -7.457 -3.190 -0.599 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -8.406 -2.209 -0.867 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.108 -0.869 -0.620 0.00 0.00 +0.017 A ATOM 17 C LIG 1 -2.944 0.575 -1.770 0.00 0.00 +0.012 A ATOM 18 N LIG 1 -4.646 -1.243 0.779 0.00 0.00 -0.231 NA ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.748 1.496 1.002 0.00 0.00 +0.248 C BRANCH 19 20 ATOM 20 O LIG 1 0.233 0.856 1.824 0.00 0.00 -0.490 OA BRANCH 20 24 ATOM 21 C LIG 1 4.312 1.226 1.006 0.00 0.00 -0.044 A ATOM 22 C LIG 1 3.399 1.917 0.201 0.00 0.00 +0.007 A ATOM 23 C LIG 1 2.023 1.822 0.438 0.00 0.00 +0.046 A ATOM 24 C LIG 1 1.545 1.038 1.486 0.00 0.00 +0.121 A ATOM 25 C LIG 1 2.455 0.358 2.298 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.828 0.449 2.064 0.00 0.00 +0.007 A BRANCH 21 27 ATOM 27 C LIG 1 5.793 1.293 0.719 0.00 0.00 +0.078 C BRANCH 27 28 ATOM 28 C LIG 1 6.348 0.015 0.067 0.00 0.00 +0.230 C BRANCH 28 29 ATOM 29 C LIG 1 5.958 0.002 -1.423 0.00 0.00 +0.334 C ATOM 30 O LIG 1 6.696 0.317 -2.346 0.00 0.00 -0.248 OA BRANCH 29 31 ATOM 31 O LIG 1 4.688 -0.420 -1.653 0.00 0.00 -0.479 OA ATOM 32 H LIG 1 4.166 -0.608 -0.848 0.00 0.00 +0.295 HD ENDBRANCH 29 31 ENDBRANCH 28 29 BRANCH 28 33 ATOM 33 O LIG 1 7.764 0.043 0.277 0.00 0.00 -0.365 OA BRANCH 33 35 ATOM 34 C LIG 1 8.454 -2.004 -0.896 0.00 0.00 +0.034 C ATOM 35 C LIG 1 8.382 -1.235 0.410 0.00 0.00 +0.157 C ENDBRANCH 33 35 ENDBRANCH 28 33 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11