REMARK Name = BDB060809 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.800 -0.004 -0.820 0.00 0.00 -0.266 N ATOM 2 C LIG 1 2.760 0.836 0.300 0.00 0.00 +0.042 A ATOM 3 C LIG 1 1.708 0.460 1.140 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.506 1.108 2.351 0.00 0.00 +0.008 A ATOM 5 C LIG 1 2.349 2.168 2.688 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.387 2.557 1.827 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.944 -0.684 0.528 0.00 0.00 +0.135 C ATOM 8 C LIG 1 -0.540 -0.476 0.128 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -1.282 -1.660 0.804 0.00 0.00 +0.058 C ATOM 10 C LIG 1 -0.186 -2.719 1.002 0.00 0.00 +0.168 C ATOM 11 N LIG 1 0.982 -1.883 1.400 0.00 0.00 -0.288 NA ATOM 12 H LIG 1 1.853 -2.401 1.268 0.00 0.00 +0.124 HD ATOM 13 C LIG 1 3.604 1.884 0.622 0.00 0.00 +0.024 A ATOM 14 C LIG 1 1.781 -0.956 -0.773 0.00 0.00 +0.246 C ATOM 15 O LIG 1 1.581 -1.864 -1.569 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 16 ATOM 16 C LIG 1 -1.120 0.868 0.461 0.00 0.00 +0.174 A ATOM 17 C LIG 1 -1.171 2.097 -0.170 0.00 0.00 +0.191 A ATOM 18 C LIG 1 -1.865 2.939 0.734 0.00 0.00 +0.111 A ATOM 19 C LIG 1 -2.220 4.374 0.608 0.00 0.00 +0.071 C ATOM 20 N LIG 1 -2.212 2.268 1.839 0.00 0.00 -0.081 NA ATOM 21 O LIG 1 -1.745 0.984 1.667 0.00 0.00 -0.357 OA BRANCH 17 22 ATOM 22 N LIG 1 -0.624 2.429 -1.446 0.00 0.00 +0.062 N ATOM 23 O LIG 1 -0.776 3.591 -1.841 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -0.038 1.533 -2.063 0.00 0.00 -0.126 OA ENDBRANCH 17 22 ENDBRANCH 8 16 BRANCH 9 25 ATOM 25 C LIG 1 -2.489 -2.114 0.005 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -2.364 -2.705 -1.263 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.497 -3.099 -1.977 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -4.766 -2.907 -1.438 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -4.905 -2.317 -0.185 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -3.775 -1.921 0.531 0.00 0.00 +0.004 A ENDBRANCH 9 25 BRANCH 10 31 ATOM 31 C LIG 1 -0.599 -3.815 2.007 0.00 0.00 +0.405 C ATOM 32 F LIG 1 -1.631 -4.554 1.548 0.00 0.00 -0.169 F ATOM 33 F LIG 1 0.433 -4.667 2.225 0.00 0.00 -0.169 F ATOM 34 F LIG 1 -0.961 -3.299 3.202 0.00 0.00 -0.169 F ENDBRANCH 10 31 BRANCH 1 35 ATOM 35 C LIG 1 3.775 0.072 -1.881 0.00 0.00 +0.140 C BRANCH 35 37 ATOM 36 C LIG 1 4.116 2.198 -3.187 0.00 0.00 +0.005 C ATOM 37 C LIG 1 3.370 1.135 -2.858 0.00 0.00 -0.015 C ENDBRANCH 35 37 ENDBRANCH 1 35 TORSDOF 6