REMARK Name = BDB064518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.042 -1.346 -0.442 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.773 -0.336 0.083 0.00 0.00 +0.065 A ATOM 3 C LIG 1 -2.156 -0.496 0.118 0.00 0.00 +0.167 A ATOM 4 F LIG 1 -2.900 0.482 0.654 0.00 0.00 -0.202 F ATOM 5 C LIG 1 -2.751 -1.653 -0.382 0.00 0.00 +0.164 A ATOM 6 C LIG 1 -1.946 -2.674 -0.884 0.00 0.00 +0.051 A ATOM 7 C LIG 1 -0.555 -2.516 -0.922 0.00 0.00 +0.027 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 2.446 -1.959 -0.831 0.00 0.00 +0.254 C ATOM 9 N LIG 1 1.430 -1.104 -0.453 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.728 -0.211 -0.054 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.279 -3.128 -1.168 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 6.923 2.234 0.821 0.00 0.00 -0.047 A ATOM 13 C LIG 1 5.655 1.648 0.785 0.00 0.00 +0.017 A ATOM 14 C LIG 1 5.444 0.445 0.088 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.088 -0.132 0.053 0.00 0.00 +0.202 A ATOM 16 C LIG 1 3.836 -1.355 -0.764 0.00 0.00 +0.103 A ATOM 17 C LIG 1 4.900 -1.898 -1.414 0.00 0.00 +0.032 A ATOM 18 N LIG 1 6.224 -1.429 -1.258 0.00 0.00 -0.346 N ATOM 19 C LIG 1 7.403 -2.205 -1.670 0.00 0.00 +0.149 C ATOM 20 C LIG 1 4.711 -3.024 -2.421 0.00 0.00 +0.064 C ATOM 21 O LIG 1 3.174 0.430 0.657 0.00 0.00 -0.286 OA ATOM 22 C LIG 1 6.483 -0.213 -0.581 0.00 0.00 +0.053 A ATOM 23 C LIG 1 7.745 0.407 -0.554 0.00 0.00 +0.027 A ATOM 24 C LIG 1 7.964 1.608 0.135 0.00 0.00 +0.005 A BRANCH 12 26 ATOM 25 C LIG 1 6.879 4.737 0.667 0.00 0.00 +0.009 C ATOM 26 C LIG 1 7.150 3.531 1.553 0.00 0.00 +0.032 C ENDBRANCH 12 26 ENDBRANCH 8 16 ENDBRANCH 1 9 BRANCH 5 27 ATOM 27 O LIG 1 -4.107 -1.879 -0.350 0.00 0.00 -0.452 OA BRANCH 27 28 ATOM 28 C LIG 1 -4.910 -0.899 -0.899 0.00 0.00 +0.139 A ATOM 29 C LIG 1 -5.979 -0.391 -0.135 0.00 0.00 +0.046 A ATOM 30 C LIG 1 -6.799 0.580 -0.744 0.00 0.00 +0.078 A ATOM 31 C LIG 1 -7.862 1.112 -0.022 0.00 0.00 +0.077 A ATOM 32 C LIG 1 -8.140 0.719 1.291 0.00 0.00 +0.164 A ATOM 33 C LIG 1 -7.306 -0.227 1.894 0.00 0.00 +0.162 A ATOM 34 N LIG 1 -6.598 1.008 -2.003 0.00 0.00 -0.255 NA ATOM 35 C LIG 1 -5.574 0.479 -2.706 0.00 0.00 +0.115 A ATOM 36 C LIG 1 -6.249 -0.796 1.187 0.00 0.00 +0.063 A ATOM 37 C LIG 1 -4.712 -0.474 -2.210 0.00 0.00 +0.066 A BRANCH 33 38 ATOM 38 O LIG 1 -7.527 -0.688 3.167 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -7.038 0.252 4.125 0.00 0.00 +0.277 C ENDBRANCH 33 38 BRANCH 32 40 ATOM 40 O LIG 1 -9.180 1.190 2.049 0.00 0.00 -0.491 OA ATOM 41 C LIG 1 -10.100 2.071 1.418 0.00 0.00 +0.277 C ENDBRANCH 32 40 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 7