REMARK Name = BDB024354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.601 -0.235 0.951 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.920 -1.723 0.887 0.00 0.00 -0.019 A ATOM 3 C LIG 1 -1.315 -2.655 1.745 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -1.656 -4.002 1.663 0.00 0.00 +0.124 A ATOM 5 F LIG 1 -1.064 -4.881 2.483 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -2.601 -4.451 0.750 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -3.227 -3.537 -0.093 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -2.894 -2.181 -0.021 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.682 -0.092 0.094 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.255 -0.393 -0.772 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.093 0.031 1.226 0.00 0.00 +0.240 C ATOM 12 O LIG 1 0.320 0.315 2.350 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.764 0.368 -0.561 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.830 -0.001 -1.524 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.499 -0.145 -1.294 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 2.058 0.084 -0.040 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.907 0.461 0.989 0.00 0.00 +0.044 A ATOM 18 C LIG 1 4.272 0.604 0.722 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 9.240 -0.128 -2.658 0.00 0.00 +0.172 C ATOM 20 N LIG 1 8.149 0.276 -1.805 0.00 0.00 -0.274 N ATOM 21 N LIG 1 8.380 1.137 -0.800 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 7.182 1.276 -0.226 0.00 0.00 +0.143 A ATOM 23 C LIG 1 6.175 0.513 -0.863 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.846 -0.126 -1.888 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.452 0.397 1.979 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -2.067 0.130 2.890 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.509 1.861 1.915 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.030 2.482 0.601 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.322 1.941 0.023 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -4.540 2.046 -1.361 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.724 1.577 -1.937 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.715 1.005 -1.135 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.516 0.913 0.245 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.332 1.385 0.819 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.927 0.519 -1.723 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.906 0.124 -2.206 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9