REMARK Name = BDB011974 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.357 0.321 -0.093 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.387 -0.262 -1.106 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.791 -1.127 -1.897 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.049 0.147 -1.096 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.437 1.514 -0.873 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.248 2.592 -0.244 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.362 3.873 -0.163 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.657 4.129 -0.618 0.00 0.00 +0.057 A ATOM 9 C LIG 1 -2.343 3.083 -1.210 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.565 2.538 0.286 0.00 0.00 -0.268 N ATOM 11 C LIG 1 1.952 3.030 1.539 0.00 0.00 +0.217 C ATOM 12 O LIG 1 3.137 3.111 1.874 0.00 0.00 -0.276 OA ATOM 13 C LIG 1 0.881 3.408 2.538 0.00 0.00 +0.109 C ATOM 14 C LIG 1 -1.738 1.825 -1.335 0.00 0.00 +0.026 A ATOM 15 C LIG 1 2.552 1.772 -0.449 0.00 0.00 +0.145 C ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.729 -1.561 0.690 0.00 0.00 +0.230 C ATOM 17 N LIG 1 3.604 -0.448 -0.132 0.00 0.00 -0.301 N ATOM 18 H LIG 1 4.035 -0.536 -1.045 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 2.903 -1.823 1.562 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 4.975 -2.421 0.373 0.00 0.00 +0.137 C ATOM 21 C LIG 1 4.613 -3.411 -0.733 0.00 0.00 +0.034 C BRANCH 20 23 ATOM 22 C LIG 1 5.995 -2.270 2.578 0.00 0.00 +0.101 C ATOM 23 N LIG 1 5.462 -3.161 1.554 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 6.190 -3.814 1.269 0.00 0.00 +0.122 HD ENDBRANCH 20 23 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 8 25 ATOM 25 C LIG 1 -2.255 5.508 -0.516 0.00 0.00 +0.417 C ATOM 26 F LIG 1 -1.855 6.318 -1.533 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -3.616 5.508 -0.545 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.905 6.148 0.634 0.00 0.00 -0.166 F ENDBRANCH 8 25 BRANCH 4 29 ATOM 29 C LIG 1 -0.859 -0.898 -1.643 0.00 0.00 +0.149 C BRANCH 29 30 ATOM 30 C LIG 1 -2.121 -1.241 -0.834 0.00 0.00 -0.019 A ATOM 31 C LIG 1 -2.083 -1.395 0.598 0.00 0.00 -0.012 A ATOM 32 C LIG 1 -3.296 -1.557 1.317 0.00 0.00 -0.000 A ATOM 33 C LIG 1 -3.271 -1.637 2.738 0.00 0.00 +0.059 A ATOM 34 C LIG 1 -2.062 -1.612 3.441 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -0.869 -1.533 2.746 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -4.491 -1.665 0.585 0.00 0.00 +0.010 A ATOM 37 C LIG 1 -4.499 -1.662 -0.809 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -0.887 -1.435 1.355 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -3.334 -1.462 -1.558 0.00 0.00 -0.039 A BRANCH 39 40 ATOM 40 C LIG 1 -3.369 -1.566 -3.079 0.00 0.00 +0.019 C ATOM 41 C LIG 1 -3.585 -0.334 -3.928 0.00 0.00 +0.009 C ATOM 42 C LIG 1 -4.634 -1.399 -3.892 0.00 0.00 +0.009 C ENDBRANCH 39 40 BRANCH 33 43 ATOM 43 C LIG 1 -4.479 -1.760 3.508 0.00 0.00 +0.100 C ATOM 44 N LIG 1 -5.455 -1.856 4.129 0.00 0.00 -0.191 NA ENDBRANCH 33 43 ENDBRANCH 29 30 ENDBRANCH 4 29 TORSDOF 8