REMARK Name = BDB064508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.344 -1.866 2.306 0.00 0.00 +0.084 C ATOM 2 N LIG 1 -0.713 -1.449 1.376 0.00 0.00 -0.264 N ATOM 3 C LIG 1 -0.380 -0.616 0.312 0.00 0.00 +0.403 C ATOM 4 O LIG 1 0.768 -0.316 -0.006 0.00 0.00 -0.226 OA ATOM 5 C LIG 1 -2.071 -1.488 1.908 0.00 0.00 +0.116 C ATOM 6 C LIG 1 -2.245 -0.469 3.050 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.923 -0.209 3.834 0.00 0.00 +0.066 C ATOM 8 N LIG 1 -0.266 1.010 3.339 0.00 0.00 -0.299 NA ATOM 9 C LIG 1 -1.047 2.226 3.594 0.00 0.00 +0.085 C ATOM 10 C LIG 1 -2.563 1.991 3.518 0.00 0.00 +0.016 C ATOM 11 C LIG 1 1.152 1.151 3.681 0.00 0.00 +0.085 C ATOM 12 C LIG 1 1.583 0.273 4.853 0.00 0.00 +0.016 C ATOM 13 C LIG 1 1.283 -1.209 4.609 0.00 0.00 +0.008 C ATOM 14 C LIG 1 -2.893 0.847 2.563 0.00 0.00 +0.008 C ATOM 15 C LIG 1 0.005 -1.443 3.774 0.00 0.00 +0.027 C ENDROOT BRANCH 1 16 ATOM 16 C LIG 1 0.601 -3.396 2.251 0.00 0.00 +0.023 C BRANCH 16 17 ATOM 17 C LIG 1 0.975 -4.008 0.889 0.00 0.00 +0.011 C BRANCH 17 18 ATOM 18 C LIG 1 1.988 -3.185 0.103 0.00 0.00 +0.096 C BRANCH 18 20 ATOM 19 O LIG 1 2.707 -5.168 -1.065 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 2.861 -3.958 -0.864 0.00 0.00 +0.219 C ATOM 21 N LIG 1 3.866 -3.296 -1.510 0.00 0.00 -0.256 N ATOM 22 H LIG 1 4.494 -3.894 -2.041 0.00 0.00 +0.158 HD BRANCH 21 23 ATOM 23 C LIG 1 4.202 -1.961 -1.545 0.00 0.00 +0.200 A ATOM 24 N LIG 1 3.469 -0.885 -1.105 0.00 0.00 -0.326 N ATOM 25 H LIG 1 2.543 -0.876 -0.692 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 4.187 0.260 -1.355 0.00 0.00 +0.067 A ATOM 27 C LIG 1 5.354 -0.192 -1.952 0.00 0.00 +0.091 A ATOM 28 C LIG 1 6.333 0.737 -2.331 0.00 0.00 +0.030 A ATOM 29 C LIG 1 6.090 2.100 -2.101 0.00 0.00 +0.002 A ATOM 30 C LIG 1 4.894 2.526 -1.512 0.00 0.00 +0.002 A ATOM 31 C LIG 1 3.911 1.611 -1.116 0.00 0.00 +0.028 A ATOM 32 N LIG 1 5.335 -1.558 -2.081 0.00 0.00 -0.214 NA ENDBRANCH 21 23 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 1 16 BRANCH 3 33 ATOM 33 O LIG 1 -1.474 -0.188 -0.372 0.00 0.00 -0.449 OA BRANCH 33 34 ATOM 34 C LIG 1 -1.204 0.728 -1.448 0.00 0.00 +0.246 C BRANCH 34 35 ATOM 35 C LIG 1 -2.541 1.230 -2.005 0.00 0.00 +0.088 C ATOM 36 C LIG 1 -2.392 2.470 -2.878 0.00 0.00 -0.029 A ATOM 37 C LIG 1 -2.903 2.223 -4.172 0.00 0.00 -0.014 A ATOM 38 C LIG 1 -2.884 3.218 -5.135 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -2.350 4.467 -4.793 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -1.850 4.710 -3.504 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -3.389 0.859 -4.234 0.00 0.00 -0.014 A ATOM 42 C LIG 1 -3.969 0.153 -5.276 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -4.347 -1.174 -5.053 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -4.146 -1.779 -3.801 0.00 0.00 +0.000 A ATOM 45 C LIG 1 -3.564 -1.070 -2.750 0.00 0.00 +0.005 A ATOM 46 C LIG 1 -1.871 3.709 -2.531 0.00 0.00 +0.005 A ATOM 47 C LIG 1 -3.186 0.245 -2.978 0.00 0.00 -0.029 A ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 8