REMARK Name = BDB058251 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.772 0.145 0.089 0.00 0.00 -0.015 A ATOM 2 C LIG 1 5.191 -1.094 -0.223 0.00 0.00 +0.012 A ATOM 3 C LIG 1 3.868 -1.133 -0.637 0.00 0.00 -0.041 A ATOM 4 C LIG 1 3.049 -2.342 -0.975 0.00 0.00 +0.038 C ATOM 5 C LIG 1 1.867 -1.716 -1.734 0.00 0.00 +0.045 C ATOM 6 C LIG 1 1.706 -0.297 -1.167 0.00 0.00 +0.138 C ATOM 7 C LIG 1 0.654 -0.238 -0.051 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.670 -0.864 1.001 0.00 0.00 -0.272 OA ATOM 9 N LIG 1 -0.323 0.634 -0.448 0.00 0.00 -0.215 N ATOM 10 C LIG 1 -0.049 1.145 -1.679 0.00 0.00 +0.310 C ATOM 11 O LIG 1 -0.723 1.939 -2.313 0.00 0.00 -0.252 OA ATOM 12 N LIG 1 1.153 0.635 -2.109 0.00 0.00 -0.281 N ATOM 13 H LIG 1 1.554 0.887 -3.001 0.00 0.00 +0.152 HD ATOM 14 C LIG 1 3.102 0.035 -0.730 0.00 0.00 -0.012 A ATOM 15 C LIG 1 3.653 1.267 -0.419 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.992 1.317 -0.013 0.00 0.00 +0.009 A ENDROOT BRANCH 1 21 ATOM 17 C LIG 1 10.620 -0.759 0.690 0.00 0.00 +0.172 C ATOM 18 N LIG 1 9.300 -0.182 0.772 0.00 0.00 -0.274 N ATOM 19 N LIG 1 9.106 0.921 1.516 0.00 0.00 -0.179 NA ATOM 20 C LIG 1 7.802 1.171 1.365 0.00 0.00 +0.142 A ATOM 21 C LIG 1 7.155 0.234 0.526 0.00 0.00 +0.020 A ATOM 22 C LIG 1 8.167 -0.631 0.158 0.00 0.00 +0.116 A ENDBRANCH 1 21 BRANCH 9 23 ATOM 23 C LIG 1 -1.555 0.859 0.269 0.00 0.00 +0.213 C BRANCH 23 24 ATOM 24 C LIG 1 -2.582 -0.210 -0.128 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.830 -0.168 0.494 0.00 0.00 -0.289 N ATOM 26 C LIG 1 -4.296 0.923 1.374 0.00 0.00 +0.117 C ATOM 27 C LIG 1 -5.406 1.783 0.729 0.00 0.00 +0.251 C ATOM 28 O LIG 1 -6.626 1.058 0.500 0.00 0.00 -0.490 OA ATOM 29 C LIG 1 -6.608 0.446 -0.725 0.00 0.00 +0.125 A ATOM 30 C LIG 1 -5.735 -0.617 -0.994 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -5.752 -1.188 -2.274 0.00 0.00 +0.047 A ATOM 32 C LIG 1 -6.647 -0.721 -3.233 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -7.537 0.308 -2.945 0.00 0.00 +0.042 A ATOM 34 F LIG 1 -6.660 -1.280 -4.450 0.00 0.00 -0.205 F ATOM 35 C LIG 1 -7.522 0.893 -1.680 0.00 0.00 +0.049 A ATOM 36 C LIG 1 -4.820 -1.156 0.072 0.00 0.00 +0.147 C ATOM 37 O LIG 1 -2.301 -1.080 -0.959 0.00 0.00 -0.274 OA BRANCH 26 38 ATOM 38 C LIG 1 -4.709 0.373 2.721 0.00 0.00 +0.013 C ATOM 39 C LIG 1 -4.298 1.072 3.995 0.00 0.00 +0.006 C ATOM 40 C LIG 1 -3.687 -0.254 3.640 0.00 0.00 +0.006 C ENDBRANCH 26 38 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4