REMARK Name = BDB035361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.445 -1.022 -0.797 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.758 -1.732 -0.880 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.050 -2.753 -1.475 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.737 -1.016 -0.053 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.068 -1.321 0.170 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.805 -0.469 1.003 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.175 0.664 1.576 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.819 0.959 1.340 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.116 0.092 0.509 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.310 0.143 0.067 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.042 -0.824 -1.904 0.00 0.00 -0.007 A ATOM 12 C LIG 1 -2.821 -0.563 -1.247 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -1.659 -1.329 -1.475 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.744 -2.386 -2.385 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.936 -2.663 -3.057 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.068 -1.890 -2.821 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 -5.333 -0.039 -1.653 0.00 0.00 +0.153 C BRANCH 17 20 ATOM 18 C LIG 1 -5.181 -2.124 0.789 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.337 -1.756 0.016 0.00 0.00 -0.318 N ATOM 20 C LIG 1 -6.435 -0.875 -1.034 0.00 0.00 +0.170 A ATOM 21 N LIG 1 -7.699 -0.843 -1.427 0.00 0.00 -0.131 NA ATOM 22 N LIG 1 -8.421 -1.705 -0.644 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.592 -2.249 0.213 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.139 1.239 -0.819 0.00 0.00 +0.033 C ATOM 25 C LIG 1 -4.355 2.443 -1.435 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -5.309 3.371 -0.657 0.00 0.00 +0.001 C ATOM 27 C LIG 1 -6.343 2.230 -0.702 0.00 0.00 +0.007 C ENDBRANCH 17 24 BRANCH 17 28 ATOM 28 O LIG 1 -5.809 0.357 -2.951 0.00 0.00 -0.376 OA ATOM 29 H LIG 1 -6.784 0.300 -2.913 0.00 0.00 +0.211 HD ENDBRANCH 17 28 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.156 2.169 1.940 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.796 3.078 0.993 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.005 1.848 2.596 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.927 2.837 2.838 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.271 -0.731 1.269 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.090 0.261 0.574 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.942 0.160 -0.430 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.503 0.204 0.974 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.177 1.492 0.411 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.827 1.679 1.799 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.674 0.837 2.384 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.213 -1.097 0.654 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9