REMARK Name = BDB005340 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.409 0.865 -0.532 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.595 -0.271 -0.670 0.00 0.00 -0.320 N ATOM 3 C LIG 1 -0.681 0.198 -0.658 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.075 -0.294 -0.724 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.780 1.018 -0.903 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.904 2.133 -0.898 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.144 3.316 -1.075 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.595 1.554 -0.718 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.687 1.978 -0.645 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.181 1.097 -1.133 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.007 2.071 -0.531 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.533 3.062 0.499 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.379 2.111 -0.857 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.943 1.176 -1.722 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.138 0.191 -2.273 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.823 -0.981 -3.331 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.774 0.147 -1.985 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.562 -0.985 0.545 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.245 -0.502 1.829 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.733 -1.138 2.974 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -3.552 -2.256 2.849 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.147 -3.042 4.258 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.893 -2.742 1.590 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -3.404 -2.107 0.445 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 3.552 0.163 0.600 0.00 0.00 +0.230 A ATOM 26 C LIG 1 2.857 0.870 -0.360 0.00 0.00 +0.097 A ATOM 27 C LIG 1 3.657 1.663 -1.147 0.00 0.00 +0.131 A ATOM 28 N LIG 1 5.004 1.713 -1.051 0.00 0.00 -0.222 NA ATOM 29 C LIG 1 5.597 0.964 -0.107 0.00 0.00 +0.220 A ATOM 30 N LIG 1 4.895 0.182 0.729 0.00 0.00 -0.179 NA BRANCH 29 31 ATOM 31 N LIG 1 6.989 0.975 -0.011 0.00 0.00 -0.306 N ATOM 32 C LIG 1 7.625 2.124 -0.638 0.00 0.00 +0.132 C ATOM 33 C LIG 1 7.506 0.572 1.287 0.00 0.00 +0.132 C ENDBRANCH 29 31 BRANCH 25 35 ATOM 34 C LIG 1 3.602 -1.180 2.526 0.00 0.00 +0.279 C ATOM 35 O LIG 1 2.820 -0.631 1.470 0.00 0.00 -0.479 OA ENDBRANCH 25 35 ENDBRANCH 1 26 BRANCH 2 36 ATOM 36 C LIG 1 1.055 -1.628 -0.971 0.00 0.00 +0.111 C ATOM 37 C LIG 1 0.743 -2.009 -2.421 0.00 0.00 +0.033 C BRANCH 36 38 ATOM 38 C LIG 1 0.580 -2.670 0.051 0.00 0.00 +0.180 C BRANCH 38 39 ATOM 39 O LIG 1 -0.656 -3.259 -0.336 0.00 0.00 -0.393 OA ATOM 40 H LIG 1 -0.955 -3.806 0.414 0.00 0.00 +0.209 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 2 36 TORSDOF 8