REMARK Name = BDB060893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.370 0.773 -2.432 0.00 0.00 +0.058 C ATOM 2 C LIG 1 2.376 1.883 -2.072 0.00 0.00 +0.030 C ATOM 3 C LIG 1 1.157 1.344 -1.325 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.742 0.018 -1.796 0.00 0.00 -0.297 N ATOM 5 C LIG 1 -0.332 -0.680 -1.237 0.00 0.00 +0.249 C ATOM 6 O LIG 1 -0.868 -1.652 -1.759 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.177 -0.357 -3.136 0.00 0.00 +0.109 C ATOM 8 C LIG 1 2.701 -0.336 -3.264 0.00 0.00 +0.030 C ENDROOT BRANCH 1 14 ATOM 9 C LIG 1 6.549 -0.093 1.292 0.00 0.00 +0.082 A ATOM 10 C LIG 1 5.465 -0.094 0.405 0.00 0.00 +0.104 A ATOM 11 C LIG 1 4.378 -0.918 0.671 0.00 0.00 +0.085 A ATOM 12 N LIG 1 3.507 -0.694 -0.361 0.00 0.00 -0.340 N ATOM 13 H LIG 1 2.594 -1.119 -0.471 0.00 0.00 +0.167 HD ATOM 14 C LIG 1 4.061 0.244 -1.202 0.00 0.00 +0.111 A ATOM 15 C LIG 1 4.316 -1.738 1.785 0.00 0.00 +0.138 A ATOM 16 N LIG 1 5.359 -1.736 2.647 0.00 0.00 -0.260 NA ATOM 17 N LIG 1 5.247 0.618 -0.763 0.00 0.00 -0.231 NA ATOM 18 C LIG 1 6.430 -0.936 2.390 0.00 0.00 +0.126 A BRANCH 9 22 ATOM 19 N LIG 1 7.800 1.536 0.007 0.00 0.00 -0.325 N ATOM 20 H LIG 1 8.620 2.102 -0.153 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 7.041 1.548 -0.672 0.00 0.00 +0.145 HD ATOM 22 C LIG 1 7.750 0.735 1.111 0.00 0.00 +0.245 C ATOM 23 O LIG 1 8.670 0.706 1.919 0.00 0.00 -0.270 OA ENDBRANCH 9 22 ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 -0.857 -0.238 0.061 0.00 0.00 +0.072 A ATOM 25 C LIG 1 -0.146 -0.519 1.223 0.00 0.00 +0.135 A ATOM 26 F LIG 1 1.032 -1.157 1.168 0.00 0.00 -0.205 F ATOM 27 C LIG 1 -0.645 -0.124 2.459 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -1.874 0.538 2.529 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -2.622 0.794 1.366 0.00 0.00 -0.041 A ATOM 30 C LIG 1 -2.094 0.409 0.123 0.00 0.00 +0.020 A BRANCH 29 31 ATOM 31 C LIG 1 -3.943 1.526 1.468 0.00 0.00 +0.093 C BRANCH 31 32 ATOM 32 C LIG 1 -5.026 0.987 0.543 0.00 0.00 +0.074 A ATOM 33 C LIG 1 -5.731 -0.277 0.878 0.00 0.00 +0.011 A ATOM 34 C LIG 1 -6.706 -0.716 -0.016 0.00 0.00 +0.050 A ATOM 35 C LIG 1 -7.414 -1.900 0.225 0.00 0.00 +0.014 A ATOM 36 C LIG 1 -7.142 -2.649 1.368 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.168 -2.216 2.266 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.986 0.079 -1.222 0.00 0.00 +0.272 A ATOM 39 O LIG 1 -7.842 -0.262 -2.030 0.00 0.00 -0.266 OA ATOM 40 N LIG 1 -6.237 1.219 -1.381 0.00 0.00 -0.242 N ATOM 41 H LIG 1 -6.418 1.779 -2.209 0.00 0.00 +0.192 HD ATOM 42 C LIG 1 -5.462 -1.033 2.025 0.00 0.00 +0.010 A ATOM 43 N LIG 1 -5.280 1.676 -0.532 0.00 0.00 -0.175 NA ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 5 24 TORSDOF 5