REMARK Name = BDB064359 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.079 1.440 -1.284 0.00 0.00 -0.294 N ATOM 2 C LIG 1 1.388 0.406 -1.895 0.00 0.00 +0.262 A ATOM 3 O LIG 1 1.898 -0.406 -2.664 0.00 0.00 -0.267 OA ATOM 4 C LIG 1 -0.051 0.310 -1.578 0.00 0.00 +0.066 A ATOM 5 C LIG 1 -0.602 1.254 -0.707 0.00 0.00 +0.086 A ATOM 6 C LIG 1 -1.975 1.170 -0.395 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -2.749 0.137 -0.965 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -2.190 -0.806 -1.841 0.00 0.00 -0.026 A ATOM 9 N LIG 1 0.189 2.271 -0.139 0.00 0.00 -0.236 NA ATOM 10 C LIG 1 -0.829 -0.710 -2.144 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.442 2.310 -0.435 0.00 0.00 +0.203 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -2.626 2.121 0.525 0.00 0.00 -0.013 A ATOM 13 C LIG 1 -3.099 3.384 0.096 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -2.940 3.844 -1.328 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -3.710 4.243 1.025 0.00 0.00 +0.042 A ATOM 16 C LIG 1 -3.860 3.851 2.350 0.00 0.00 +0.124 A ATOM 17 F LIG 1 -4.448 4.682 3.221 0.00 0.00 -0.205 F ATOM 18 C LIG 1 -3.411 2.613 2.784 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -2.796 1.752 1.875 0.00 0.00 +0.011 A ENDBRANCH 6 12 BRANCH 1 20 ATOM 20 C LIG 1 3.503 1.592 -1.534 0.00 0.00 +0.161 C BRANCH 20 25 ATOM 21 C LIG 1 5.305 -1.119 0.457 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.848 -0.369 1.507 0.00 0.00 +0.091 A ATOM 23 C LIG 1 5.641 1.008 1.578 0.00 0.00 +0.124 A ATOM 24 C LIG 1 4.886 1.639 0.586 0.00 0.00 +0.051 A ATOM 25 C LIG 1 4.339 0.907 -0.477 0.00 0.00 -0.021 A ATOM 26 C LIG 1 4.554 -0.479 -0.530 0.00 0.00 +0.051 A BRANCH 21 28 ATOM 27 C LIG 1 5.021 -3.273 -0.512 0.00 0.00 +0.277 C ATOM 28 O LIG 1 5.580 -2.459 0.512 0.00 0.00 -0.495 OA ENDBRANCH 21 28 BRANCH 23 29 ATOM 29 O LIG 1 6.115 1.845 2.550 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 6.872 1.249 3.597 0.00 0.00 +0.277 C ENDBRANCH 23 29 ENDBRANCH 20 25 ENDBRANCH 1 20 BRANCH 8 31 ATOM 31 C LIG 1 -3.038 -1.912 -2.432 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -3.449 -2.860 -1.419 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -4.698 -2.892 -0.786 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -5.737 -2.160 -0.970 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -5.562 -1.482 -1.708 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -4.583 -3.929 0.145 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -5.607 -4.236 1.111 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -3.306 -4.463 0.106 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -2.618 -3.822 -0.848 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 8 31 TORSDOF 7